Understanding the Clean Interface between Covalent Si and Ionic Al2O3

The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly developed "modified basin-hopping" method. It is found that all interface Si atoms are fourfold coordinated due to the formation of Si-O and unexpected covalent Si-Al bonds in the new abrupt interface model. And the interface has perfect electronic properties in that the unpassivated interface has a large LDA band gap and no gap levels. These results show that it is possible to have clean semiconductor-oxide interfaces

Distributed Graph Clustering using Modularity and Map Equation

We study large-scale, distributed graph clustering. Given an undirected graph, our objective is to partition the nodes into disjoint sets called clusters. A cluster should contain many internal edges while being sparsely connected to other clusters. In the context of a social network, a cluster could be a group of friends. Modularity and map equation are established formalizations of this internally-dense-externally-sparse principle. We present two versions of a simple distributed algorithm to optimize both measures. They are based on Thrill, a distributed big data processing framework that implements an extended MapReduce model. The algorithms for the two measures, DSLM-Mod and DSLM-Map, differ only slightly. Adapting them for similar quality measures is straight-forward. We conduct an extensive experimental study on real-world graphs and on synthetic benchmark graphs with up to 68 billion edges. Our algorithms are fast while detecting clusterings similar to those detected by other sequential, parallel and distributed clustering algorithms. Compared to the distributed GossipMap algorithm, DSLM-Map needs less memory, is up to an order of magnitude faster and achieves better quality.Comment: 14 pages, 3 figures; v3: Camera ready for Euro-Par 2018, more details, more results; v2: extended experiments to include comparison with competing algorithms, shortened for submission to Euro-Par 201

Microglial Pro-Inflammatory and Anti-Inflammatory Phenotypes Are Modulated by Translocator Protein Activation

A key role of the mitochondrial Translocator Protein 18 KDa (TSPO) in neuroinflammation has been recently proposed. However, little is known about TSPO-activated pathways underlying the modulation of reactive microglia. In the present work, the TSPO activation was explored in an in vitro human primary microglia model (immortalized C20 cells) under inflammatory stimulus. Two different approaches were used with the aim to (i) pharmacologically amplify or (ii) silence, by the lentiviral short hairpin RNA, the TSPO physiological function. In the TSPO pharmacological stimulation model, the synthetic steroidogenic selective ligand XBD-173 attenuated the activation of microglia. Indeed, it reduces and increases the release of pro-inflammatory and anti-inflammatory cytokines, respectively. Such ligand-induced effects were abolished when C20 cells were treated with the steroidogenesis inhibitor aminoglutethimide. This suggests a role for neurosteroids in modulating the interleukin production. The highly steroidogenic ligand XBD-173 attenuated the neuroinflammatory response more effectively than the poorly steroidogenic ones, which suggests that the observed modulation on the cytokine release may be influenced by the levels of produced neurosteroids. In the TSPO silencing model, the reduction of TSPO caused a more inflamed phenotype with respect to scrambled cells. Similarly, during the inflammatory response, the TSPO silencing increased and reduced the release of pro-inflammatory and anti-inflammatory cytokines, respectively. In conclusion, the obtained results are in favor of a homeostatic role for TSPO in the context of dynamic balance between anti-inflammatory and pro-inflammatory mediators in the human microglia-mediated inflammatory response. Interestingly, our preliminary results propose that the TSPO expression could be stimulated by NF-kappa B during activation of the inflammatory response

Electronic structure, mechanical and thermodynamic properties of ThN from first-principles calculations

Lattice parameter, electronic structure, mechanical and thermodynamic properties of ThN are systematically studied using the projector-augmented-wave method and the generalized gradient approximation based on the density functional theory. The calculated electronic structure indicates the important contributions of Th 6\emph{d}and 5\emph{f} states to the Fermi-level electron occupation. Through Bader analysis it is found that the effective valencies in ThN can be represented as Th$^{+1.82}$ N$^{-1.82}$. Elastic constant calculations shows that ThN is mechanically stable and elastically anisotropic. Furthermore, the melting curve of ThN is presented up to 120 GPa. Based on the phonon dispersion data, our calculated specific heat capacities including both lattice and conduction-electron contributions agree well with experimental results in a wide range of temperature.Comment: 16 pages, 8 figure

Colorimetric Measurement of Triglycerides Cannot Provide an Accurate Measure of Stored Fat Content in Drosophila

Drosophila melanogaster has recently emerged as a useful model system in which to study the genetic basis of regulation of fat storage. One of the most frequently used methods for evaluating the levels of stored fat (triglycerides) in flies is a coupled colorimetric assay available as a kit from several manufacturers. This is an aqueous-based enzymatic assay that is normally used for measurement of mammalian serum triglycerides, which are present in soluble lipoprotein complexes. In this short communication, we show that coupled colorimetric assay kits cannot accurately measure stored triglycerides in Drosophila. First, they fail to give accurate readings when tested on insoluble triglyceride mixtures with compositions like that of stored fat, or on fat extracted from flies with organic solvents. This is probably due to an inability of the lipase used in the kits to efficiently cleave off the glycerol head group from fat molecules in insoluble samples. Second, the measured final products of the kits are quinoneimines, which absorb visible light in the same wavelength range as Drosophila eye pigments. Thus, when extracts from crushed flies are assayed, much of the measured signal is actually due to eye pigments. Finally, the lipoprotein lipases used in colorimetric assays also cleave non-fat glycerides. The glycerol backbones liberated from all classes of glycerides are measured through the remaining reactions in the assay. As a consequence, when these assay kits are used to evaluate tissue extracts, the observed signal actually represents the amount of free glycerols together with all types of glycerides. For these reasons, findings obtained through use of coupled colorimetric assays on Drosophila samples must be interpreted with caution. We also show here that using thin-layer chromatography to measure stored triglycerides in flies eliminates all of these problems

Stability of Mine Car Motion in Curves of Invariable and Variable Radii

We discuss our experiences adapting three recent algorithms for maximum common (connected) subgraph problems to exploit multi-core parallelism. These algorithms do not easily lend themselves to parallel search, as the search trees are extremely irregular, making balanced work distribution hard, and runtimes are very sensitive to value-ordering heuristic behaviour. Nonetheless, our results show that each algorithm can be parallelised successfully, with the threaded algorithms we create being clearly better than the sequential ones. We then look in more detail at the results, and discuss how speedups should be measured for this kind of algorithm. Because of the difficulty in quantifying an average speedup when so-called anomalous speedups (superlinear and sublinear) are common, we propose a new measure called aggregate speedup

Longitudinal comparison of factors influencing choice of dental treatment by private general practitioners

The document attached has been archived with permission from the Australian Dental Association. An external link to the publisher’s copy is included.Background: Service rate variations and appropriateness of care issues have focused attention on factors that influence treatment decisions. The aims of this study were to examine what factors dentists consider in choosing alternative treatments, the stability of these factors over time and whether stability of treatment choice was related to age of dentist. Methods: Baseline data were collected by mailed self-complete questionnaires from a random sample of Australian dentists (response rate=60.3 per cent, n=345 private general practitioners provided service data from a typical day) in 1997–1998 and followup data were collected in 2004 (response rate=76.8 per cent, n=177 matched longitudinal cases). Results: The most frequent factors considered important across six alternative treatment pair choice scenarios were caries rate for ‘exam v. x-ray’, age of patient for ‘preventive v. restorative intervention’, cost of treatment for ‘crown v. buildup’, ‘root canal v. extraction’ and ‘bridge v. denture’, and calculus for ‘prophylaxis v. scaling’. The only differences over time were (t-test, P<0.05): higher proportions of responses in the mouth status group at follow-up for ‘exam v. x-ray’; higher proportions of responses in the visit history group at follow-up for ‘preventive v. restorative intervention’; a lower proportion of responses in the caries group at follow-up for ‘crown v. build-up’; and a higher proportion of responses in the treatment constraints group at follow-up for ‘prophylaxis v. scaling’. Conclusions: While a wide range of responses were offered as factors influencing the choice of alternative treatments, cost of treatment was a major consideration in situations where significantly cheaper alternatives existed, while patient preference was commonly included as a secondary consideration across a wide range of treatment choice scenarios. The treatment choice responses showed a high degree of stability over time across all age groups of dentists, suggesting that if routines are developed these are established before or soon after graduation as a dentist.DS Brennan, AJ Spence

Virtual antenna array for reduced energy per bit transmission at Sub-5 GHz mobile wireless communication systems

This paper presents an innovative technique to synthesize a virtual antenna array (VAA) that consumes less energy than conventional antenna arrays that are used in mobile communications systems. We have shown that for a specific spectral efficiency a wireless system using the proposed virtual antenna array consumes significantly less energy per bit (∼3 dB) than a wireless system using a conventional multiple-input multiple-output (MIMO) array. This means the adoption of the proposed VAA technology in smartphones, iPad, Tablets and even base-stations should significantly reduce the carbon footprint of wireless systems. The proposed VAA is realized by employing a pair of linear antenna arrays that are placed in an orthogonal configuration relative to each other. This orthogonal arrangement ensures the radiation is circularly polarized. The size of the standard radiating elements constituting the VAA were miniaturized using the topology optimization method. The design of the VAA incorporates substrate integrated waveguide (SIW) and metasurface technologies. The function of SIW in the design was twofold, namely, to reduce energy loss in the substrate on which the VAA is implemented, and secondly to mitigate unwanted electromagnetic interactions between the neighboring radiating elements and thereby enhancing isolation which otherwise would degrade the radiation characteristics of the array. Metasurface technology served to effectively increase the effective aperture of the array with no impact on the footprint of the array. The consequence of SIW and metasurface technologies was improvement in the gain and radiation efficiency of the array. The proposed four orthogonal 4-element VAA covers the entire sub-5 GHz frequency range, and it radiates bidirectional in the azimuth plane and omni-directional in the elevation plane. Moreover, it is relatively easy to design and fabricate. The proposed VAA has dimensions of 0.96λ0 × 0.96λ0 × 0.0016λ0 at mid-band frequency of 3 GHz. VAA has a measured gain of 25 dBi and radiates with 90% efficiency. The average isolation between the linear arrays constituting the virtual array is better than 27 dB.Dr. Mohammad Alibakhshikenari acknowledges support from the CONEX-Plus programme funded by Universidad Carlos III de Madrid and the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 801538. The authors also extend their appreciation to the Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia for funding this research work through the project number 223202. Additionally, this work was supported by Ministerio de Ciencia, Innovación y Universidades, Gobierno de España (Agencia Estatal de Investigación, Fondo Europeo de Desarrollo Regional-FEDER-, European Union) under the research grant PID2021-127409OB-C31 CONDOR

Multi-component Transparent Conducting Oxides: Progress in Materials Modelling

Transparent conducting oxides (TCOs) play an essential role in modern optoelectronic devices through their combination of electrical conductivity and optical transparency. We review recent progress in our understanding of multi-component TCOs formed from solid-solutions of ZnO, In2O3, Ga2O3 and Al2O3, with a particular emphasis on the contributions of materials modelling, primarily based on Density Functional Theory. In particular, we highlight three major results from our work: (i) the fundamental principles governing the crystal structures of multi-component oxide structures including (In2O3)(ZnO)n, named IZO, and (In2O3)m(Ga2O3)l(ZnO)n, named IGZO; (ii) the relationship between elemental composition and optical and electrical behaviour, including valence band alignments; (iii) the high-performance of amorphous oxide semiconductors. From these advances, the challenge of the rational design of novel electroceramic materials is discussed.Comment: Part of a themed issue of Journal of Physics: Condensed Matter on "Semiconducting Oxides". In Press (2011