Parametrization of Extended Gaussian Disorder Models from Microscopic Charge Transport Simulations

Simulations of organic semiconducting devices using drift-diffusion equations are vital for the understanding of their functionality as well as for the optimization of their performance. Input parameters for these equations are usually determined from experiments and do not provide a direct link to the chemical structures and material morphology. Here we demonstrate how such a parametrization can be performed by using atomic-scale (microscopic) simulations. To do this, a stochastic network model, parametrized on atomistic simulations, is used to tabulate charge mobility in a wide density range. After accounting for finite-size effects at small charge densities, the data is fitted to the uncorrelated and correlated extended Gaussian disorder models. Surprisingly, the uncorrelated model reproduces the results of microscopic simulations better than the correlated one, compensating for spatial correlations present in a microscopic system by a large lattice constant. The proposed method retains the link to the material morphology and the underlying chemistry and can be used to formulate structure–property relationships or optimize devices prior to compound synthesis

Clustering of CnBV-1, CnBV-2 and CnBV-3 detected in common canaries.

<p>Partial N gene sequences (343 bp) were analysed using Neighbor-Joining algorithm and Jukes-Cantor distance model in Geneious R8. The tree was rooted with <i>Bornaviridae</i> references sequences (not shown; see <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0160936#pone.0160936.g001" target="_blank">Fig 1</a>). Values at branches represent support in 1,000 bootstrap replicates. Only bootstrap values ≥70 at major branches are shown. Nodes with bootstrap support of ≥90 in additionally performed ML analysis are indicated by asterisks. Sequences depicted in bold were generated during this study. (▲) flock E, Germany, 2014–2015.</p

PaBV-2 sequences from captive psittacines do not form clear clusters.

<p>Partial PaBV-2 N gene sequences (342 bp) were analysed using Neighbor-Joining algorithm and Jukes-Cantor distance model in Geneious R8. The tree was rooted with <i>Bornaviridae</i> references sequences (not shown; see <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0160936#pone.0160936.g001" target="_blank">Fig 1</a>). Values at branches represent support in 1,000 bootstrap replicates. Only bootstrap values ≥70 at major branches are shown. Nodes with bootstrap support of ≥90 in additionally performed ML analysis are indicated by asterisks. Sequences depicted in bold were generated during this study. (<b>*</b>) flock B, Canada, 2009 [<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0160936#pone.0160936.ref043" target="_blank">43</a>]; (●) flock D1, USA, 2008; (○) flock D2, USA, 2008; flocks D1 and D2 are epidemiologically linked [<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0160936#pone.0160936.ref026" target="_blank">26</a>].</p

Clusters of PaBV-4 sequences from captive psittacines are not associated with regional origin or host species.

<p>Partial PaBV-4 N gene sequences (326 bp) were analysed using Neighbor-Joining algorithm and Jukes-Cantor distance model in Geneious R8. The tree was rooted with <i>Bornaviridae</i> references sequences (not shown; see <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0160936#pone.0160936.g001" target="_blank">Fig 1</a>). Values at branches represent support in 1,000 bootstrap replicates. Only bootstrap values ≥70 at major branches are shown. Nodes with bootstrap support of ≥90 in additionally performed ML analysis are indicated by asterisks. Sequences depicted in bold were generated during this study. Sequences from African grey parrots (<i>Psittacus erithacus</i>) are underlined. (◇) flock A, Germany, 2015; (<b>★</b>) flock B, Canada, 2009 [<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0160936#pone.0160936.ref043" target="_blank">43</a>]; (■) flock C, Germany, 2012.</p

Detection of ABBV-1 by RT-PCR from aquatic birds in Germany, 2009–2016.

<p>Detection of ABBV-1 by RT-PCR from aquatic birds in Germany, 2009–2016.</p

Sequences of avian bornaviruses available in GenBank.

<p>Sequences of avian bornaviruses available in GenBank.</p

Heteroepitaxial Growth of GaSb Nanotrees with an Ultra-Low Reflectivity in a Broad Spectral Range

We report on the growth of GaSb nanotrees on InAs {1̅ 1̅ 1̅}_B substrates by chemical beam epitaxy. GaSb nanotrees form by the nucleation of Ga droplets on the surface of <1̅ 1̅ 1̅>_B oriented GaSb nanowires followed by the epitaxial growth of branches catalyzed by these Ga droplets. In the tip region, the trunks of the GaSb nanotrees are periodically twinned, which is attributed to a change of the effective V/III ratio at the later stage of growth as a consequence of the change in surface structure. The reflectivity of a forest of nanotrees was measured for a broad spectral range and compared to the reflectivity of a GaSb (1̅ 1̅ 1̅)_B wafer and of GaSb nanowires. At wavelengths from 500 to 1700 nm, the presence of GaSb nanotrees decreased the reflection by three orders of magnitude compared to a blank GaSb substrate

(Des)Amor a la mexicana: de las críticas a la gloria : Un recorrido discursivo del diario Clarín sobre la selección campeona del Mundial 1986

En el siguiente Trabajo Integrador Final se explicita el recorrido discursivo del diario Clarín sobre la Selección Argentina en el período comprendido entre mayo y julio de 1986. Para ello, se utilizaron las herramientas que propicia el análisis de contenido, una técnica que permitió describir y repensar sobre la construcción de sentido elaborada por el medio de comunicación mediante la clasificación de los artículos periodísticos en diferentes categorías. Además, se reflexiona en torno a las entrevistas realizadas a los diferentes actores vinculados con el conjunto argentino, con el objetivo de discernir cuáles eran las modalidades utilizadas por el multimedio a la hora de las conferencias de prensa y los reportajes, y cómo los mismos se utilizaban para reforzar los sentidos creados en el suplemento deportivo. Complementariamente se examina la línea editorial de Clarín con el fin de descubrir cuál era la ideología del medio en relación a la Selección que, al final de la historia, terminaría consagrándose campeona mundial.Facultad de Periodismo y Comunicación Socia

Loss of p62 impairs the formation of large MDBs.

<p>Double immunofluorescence staining with K8/K18 (green) and p62 (red) antibodies was performed on liver sections of <i>p62</i>^<i>f/f</i>, <i>p62</i>^<i>-/-</i>, <i>p62hep</i>^<i>+/+</i>and <i>p62hep</i>^<i>-/</i> mice under normal diet (panel 1). To detect MDBs, double immunofluorescence staining with M_M120-1 (red) and K8/18 antibodies (green) was performed on liver sections of 8 weeks DDC-intoxicated mice (n ≥10). Note that MDBs were found in all genotypes. However, <i>p62</i>^<i>f/f</i> and <i>p62hep</i>^<i>+/+</i> mice developed large aggregates while only small inclusions were observed in <i>p62</i>^<i>-/-</i> and <i>p62hep</i>^<i>-/-</i> mice (panels 2–5) (scale bar = 20μm). To confirm the absence of p62 in MDBs present in p62-deficient livers, various combinations of double immunofluorescence stainings with p62 (green) + M_M120 (red), K8/K18 (green) + p62 (red) and ubiquitin (green) + p62 (red) antibodies were performed on DDC-treated liver of the different genotypes (panels 5–7. The arrows are used to indicate few MDBs among all the MDBs positive for keratin, M_M120-1 or p62 to underline the observations (panels 2–7).</p

Schematic drawing of the different role of p62 and keratin in two distinct hypothetical pathways of MDB formation.

<p><b>(A1)</b> In the first pathway alcohol abuse or metabolic alterations associated with obesity in the context of human alcoholic or non-alcoholic steatohepatitis (ASH or NASH), and DDC or griseofulvin administration in mice trigger the upregulation of keratins (K8 and K18) with, increased K8:K18 ratio and cross β-sheet conformation of K8, which leads to the formation of small ‟early” MDBs with filamentous ultrastructure and M_M120-1 antigen positivity. <b>(A2)</b> The coalescence of small MDBs to form large, compact ‟mature” MDBs occurs via incorporation of p62. Binding of p62 to MDBs also promotes the recruitment of NBR1 and other proteins to MDBs. <b>(B1)</b> In the second pathway (found in hepatocellular carcinoma and idiopathic copper toxicosis) p62-containing IHBs, which are negative for keratin and do not show cross β-sheet conformation, may progress to <b>(B2)</b> hybrid inclusions (showing mixed features of both IHBs and MDBs) by incorporation of keratins (K8 and K18). <b>(B3)</b> The hybrid inclusions may transform to ‟mature” MDBs upon further incorporation of K8 and K18.</p