Incorporating Poly(3-hexyl thiophene) into Orthogonally Aligned Cylindrical Nanopores of Titania for Optoelectronics

The incorporation of hole conducting polymer poly(3-hexyl thiophene) (P3HT) into the 8-9 nm cylindrical nanopores of titania is investigated using films with a unique orthogonally oriented hexagonal close packed mesostructure. The films are synthesized using evaporation induced self-assembly (EISA) with Pluronic triblock copolymer F127 as the structure directing agent. The orthogonally oriented cylindrical nanopore structure was chosen over a cubic structure because confinement in uniform cylindrical channels is hypothesized to enhance hole conductivity of P3HT by inducing local polymer chain ordering. Orthogonal orientation of the cylindrical nanopores is achieved by modifying the substrate (FTO-coated glass slides) with crosslinked F127. After thermal treatment to remove organic templates from the films, P3HT is infiltrated into the nanopores by spin coating a 1 wt% P3HT solution in chlorobenzene onto the titania films followed by thermal annealing under vacuum at 200 °C. The results show that infiltration is essentially complete after 30 minutes of annealing, with little or no further infiltration thereafter. A final infiltration depth of ~14 nm is measured for P3HT into the nanopores of titania using neutron reflectometry measurements. Photoluminescence measurements demonstrate that charge transfer at the P3HT-TiO2 interface improves as the P3HT is infiltrated into the pores, suggesting that an active organic-inorganic heterojuction is formed in the materials

Results from a set of three-dimensional numerical experiments of a hot Jupiter atmosphere

We present highlights from a large set of simulations of a hot Jupiter atmosphere, nominally based on HD 209458b, aimed at exploring both the evolution of the deep atmosphere, and the acceleration of the zonal flow or jet. We find the occurrence of a super-rotating equatorial jet is robust to changes in various parameters, and over long timescales, even in the absence of strong inner or bottom boundary drag. This jet is diminished in one simulation only, where we strongly force the deep atmosphere equator-to-pole temperature gradient over long timescales. Finally, although the eddy momentum fluxes in our atmosphere show similarities with the proposed mechanism for accelerating jets on tidally-locked planets, the picture appears more complex. We present tentative evidence for a jet driven by a combination of eddy momentum transport and mean flow.Comment: 26 pages, 22 Figures. Accepted for publication in Astronomy and Astrophysic

Turn-taking in cooperative offspring care: by-product of individual provisioning behavior or active response rule?

ABSTRACT: For individuals collaborating to rear offspring, effective organization of resource delivery is difficult because each carer benefits when the others provide a greater share of the total investment required. When investment is provided in discrete events, one possible solution is to adopt a turn-taking strategy whereby each individual reduces its contribution rate after investing, only increasing its rate again once another carer contributes. To test whether turn-taking occurs in a natural cooperative care system, here we use a continuous time Markov model to deduce the provisioning behavior of the chestnut-crowned babbler (Pomatostomus ruficeps), a cooperatively breeding Australian bird with variable number of carers. Our analysis suggests that turn-taking occurs across a range of group sizes (2-6), with individual birds being more likely to visit following other individuals than to make repeat visits. We show using a randomization test that some of this apparent turn-taking arises as a by-product of the distribution of individual inter-visit intervals ("passive" turn-taking) but that individuals also respond actively to the investment of others over and above this effect ("active" turn-taking). We conclude that turn-taking in babblers is a consequence of both their individual provisioning behavior and deliberate response rules, with the former effect arising through a minimum interval required to forage and travel to and from the nest. Our results reinforce the importance of considering fine-scale investment dynamics when studying parental care and suggest that behavioral rules such as turn-taking may be more common than previously thought. SIGNIFICANCE STATEMENT: Caring for offspring is a crucial stage in the life histories of many animals and often involves conflict as each carer typically benefits when others contribute a greater share of the work required. One way to resolve this conflict is to monitor when other carers contribute and adopt a simple "turn-taking" rule to ensure fairness, but natural parental care has rarely been studied in sufficient detail to identify such rules. Our study investigates whether cooperatively breeding chestnut-crowned babblers "take turns" delivering food to offspring, and (if so) whether this a deliberate strategy or simply a by-product of independent care behavior. We find that babblers indeed take turns and conclude that part of the observed turn-taking is due to deliberate responsiveness, with the rest arising from the species' breeding ecology

Measuring the Hole State Anisotropy in MgB2 by Electron Energy-Loss Spectroscopy

We have examined polycrystalline MgB2 by electron energy loss spectroscopy (EELS) and density of state calculations. In particular, we have studied two different crystal orientations, [110] and [001] with respect to the incident electron beam direction, and found significant changes in the near-edge fine-structure of the B K-edge. Density functional theory suggests that the pre-peak of the B K-edge core loss is composed of a mixture of pxy and pz hole states and we will show that these contributions can be distinguished only with an experimental energy resolution better than 0.5 eV. For conventional TEM/STEM instruments with an energy resolution of ~1.0 eV the pre-peak still contains valuable information about the local charge carrier concentration that can be probed by core-loss EELS. By considering the scattering momentum transfer for different crystal orientations, it is possible to analytically separate pxy and pz components from of the experimental spectra With careful experiments and analysis, EELS can be a unique tool measuring the superconducting properties of MgB2, doped with various elements for improved transport properties on a sub-nanometer scale.Comment: 26 Pages, 5 figures, 1 table. Submited to PR

The Phanerozoic Record of Global Sea-Level Change

We review Phanerozoic sea-level changes [543 million years ago (Ma) to the present] on various time scales and present a new sea-level record for the past 100 million years (My). Long-term sea level peaked at 100 ± 50 meters during the Cretaceous, implying that ocean-crust production rates were much lower than previously inferred. Sea level mirrors oxygen isotope variations, reflecting ice-volume change on the 104- to 106-year scale, but a link between oxygen isotope and sea level on the 107-year scale must be due to temperature changes that we attribute to tectonically controlled carbon dioxide variations. Sea-level change has influenced phytoplankton evolution, ocean chemistry, and the loci of carbonate, organic carbon, and siliciclastic sediment burial. Over the past 100 My, sea-level changes reflect global climate evolution from a time of ephemeral Antarctic ice sheets (100 to 33 Ma), through a time of large ice sheets primarily in Antarctica (33 to 2.5 Ma), to a world with large Antarctic and large, variable Northern Hemisphere ice sheets (2.5 Ma to the present)

Subduction Initiation Recorded in the Dadeville Complex of Alabama and Georgia, Southeastern United States

The Dadeville Complex of Alabama and Georgia (southeastern United States) represents the largest suite of exposed mafic-ultramafic rocks in the southern Appalachians. Due to poor preservation, chemical alteration, and tectonic reworking, a specific tectonic origin for the Dadeville Complex has been difficult to deduce. We obtained new whole-rock and mineral geochemistry coupled with zircon U-Pb geochronology to investigate the magmatic and metamorphic processes recorded by the Dadeville Complex, as well as the timing of these processes. Our data reveal an up-stratigraphic evolution in the geochemistry of the volcanic rocks, from forearc basalts to boninites. Our new U-Pb zircon crystallization data—obtained from three amphibolite samples—place the timing of forearc/protoarc volcanism no later than ca. 467 Ma. New thermobarometry suggests that the Dadeville Complex rocks subsequently experienced deep, high-grade metamorphism, at pressure-temperature conditions of \u3e7 kbar and \u3e760 °C. The data presented here support a model for formation of the Dadeville Complex in the forearc region of a subduction zone during subduction initiation and protoarc development, followed by deep burial/underthrusting of the complex during orogenesis

Organometallic Pillarplexes That Bind DNA 4-Way Holliday Junctions and Forks

Holliday 4-way junctions are key to important biological DNA processes (insertion, recombination, and repair) and are dynamic structures that adopt either open or closed conformations, the open conformation being the biologically active form. Tetracationic metallo-supramolecular pillarplexes display aryl faces about a cylindrical core, an ideal structure to interact with open DNA junction cavities. Combining experimental studies and MD simulations, we show that an Au pillarplex can bind DNA 4-way (Holliday) junctions in their open form, a binding mode not accessed by synthetic agents before. Pillarplexes can bind 3-way junctions too, but their large size leads them to open up and expand that junction, disrupting the base pairing, which manifests in an increased hydrodynamic size and lower junction thermal stability. At high loading, they rearrange both 4-way and 3-way junctions into Y-shaped forks to increase the available junction-like binding sites. Isostructural Ag pillarplexes show similar DNA junction binding behavior but lower solution stability. This pillarplex binding contrasts with (but complements) that of metallo-supramolecular cylinders, which prefer 3-way junctions and can rearrange 4-way junctions into 3-way junction structures. The pillarplexes’ ability to bind open 4-way junctions creates exciting possibilities to modulate and switch such structures in biology, as well as in synthetic nucleic acid nanostructures. In human cells, the pillarplexes do reach the nucleus, with antiproliferative activity at levels similar to those of cisplatin. The findings provide a new roadmap for targeting higher-order junction structures using a metallo-supramolecular approach, as well as expanding the toolbox available to design bioactive junction binders into organometallic chemistry

SHAPE analysis of the FIV Leader RNA reveals a structural switch potentially controlling viral packaging and genome dimerization

Feline immunodeficiency virus (FIV) infects many species of cat, and is related to HIV, causing a similar pathology. High-throughput selective 2′ hydroxyl acylation analysed by primer extension (SHAPE), a technique that allows structural interrogation at each nucleotide, was used to map the secondary structure of the FIV packaging signal RNA. Previous studies of this RNA showed four conserved stem–loops, extensive long-range interactions (LRIs) and a small, palindromic stem–loop (SL5) within the gag open reading frame (ORF) that may act as a dimerization initiation site (DIS), enabling the virus to package two copies of its genome. Our analyses of wild-type (wt) and mutant RNAs suggest that although the four conserved stem–loops are static structures, the 5′ and 3′ regions previously shown to form LRI also adopt an alternative, yet similarly conserved conformation, in which the putative DIS is occluded, and which may thus favour translational and splicing functions over encapsidation. SHAPE and in vitro dimerization assays were used to examine SL5 mutants. Dimerization contacts appear to be made between palindromic loop sequences in SL5. As this stem–loop is located within the gag ORF, recognition of a dimeric RNA provides a possible mechanism for the specific packaging of genomic over spliced viral RNAs

A combined long-range phasing and long haplotype imputation method to impute phase for SNP genotypes

<p>Abstract</p> <p>Background</p> <p>Knowing the phase of marker genotype data can be useful in genome-wide association studies, because it makes it possible to use analysis frameworks that account for identity by descent or parent of origin of alleles and it can lead to a large increase in data quantities via genotype or sequence imputation. Long-range phasing and haplotype library imputation constitute a fast and accurate method to impute phase for SNP data.</p> <p>Methods</p> <p>A long-range phasing and haplotype library imputation algorithm was developed. It combines information from surrogate parents and long haplotypes to resolve phase in a manner that is not dependent on the family structure of a dataset or on the presence of pedigree information.</p> <p>Results</p> <p>The algorithm performed well in both simulated and real livestock and human datasets in terms of both phasing accuracy and computation efficiency. The percentage of alleles that could be phased in both simulated and real datasets of varying size generally exceeded 98% while the percentage of alleles incorrectly phased in simulated data was generally less than 0.5%. The accuracy of phasing was affected by dataset size, with lower accuracy for dataset sizes less than 1000, but was not affected by effective population size, family data structure, presence or absence of pedigree information, and SNP density. The method was computationally fast. In comparison to a commonly used statistical method (fastPHASE), the current method made about 8% less phasing mistakes and ran about 26 times faster for a small dataset. For larger datasets, the differences in computational time are expected to be even greater. A computer program implementing these methods has been made available.</p> <p>Conclusions</p> <p>The algorithm and software developed in this study make feasible the routine phasing of high-density SNP chips in large datasets.</p

Large-scale magnetic topologies of early M dwarfs

We present here additional results of a spectropolarimetric survey of a small sample of stars ranging from spectral type M0 to M8 aimed at investigating observationally how dynamo processes operate in stars on both sides of the full convection threshold (spectral type M4). The present paper focuses on early M stars (M0--M3), i.e. above the full convection threshold. Applying tomographic imaging techniques to time series of rotationally modulated circularly polarised profiles collected with the NARVAL spectropolarimeter, we determine the rotation period and reconstruct the large-scale magnetic topologies of 6 early M dwarfs. We find that early-M stars preferentially host large-scale fields with dominantly toroidal and non-axisymmetric poloidal configurations, along with significant differential rotation (and long-term variability); only the lowest-mass star of our subsample is found to host an almost fully poloidal, mainly axisymmetric large-scale field ressembling those found in mid-M dwarfs. This abrupt change in the large-scale magnetic topologies of M dwarfs (occuring at spectral type M3) has no related signature on X-ray luminosities (measuring the total amount of magnetic flux); it thus suggests that underlying dynamo processes become more efficient at producing large-scale fields (despite producing the same flux) at spectral types later than M3. We suspect that this change relates to the rapid decrease in the radiative cores of low-mass stars and to the simultaneous sharp increase of the convective turnover times (with decreasing stellar mass) that models predict to occur at M3; it may also be (at least partly) responsible for the reduced magnetic braking reported for fully-convective stars.Comment: MNRAS, in pres