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  • American Institute of Physics (AIP)  (111,439)
  • Oxford University Press  (109,503)
  • 2010-2014  (139,943)
  • 1995-1999  (80,999)
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  • 1
    Publication Date: 2022-05-25
    Description: Author Posting. © The Authors, 2014. This article is posted here by permission of The Royal Astronomical Society for personal use, not for redistribution. The definitive version was published in Geophysical Journal International 197 (2014): 697-704, doi:10.1093/gji/ggu048.
    Description: After the 1960 M9.5 Valdivia, Chile earthquake, three types of geodetic observations were made during four time periods at nearby locations. These post-seismic observations were previously explained by post-seismic afterslip on the downdip extension of the 1960 rupture plane. In this study, we demonstrate that the post-seismic observations can be explained alternatively by volumetric viscoelastic relaxation of the asthenosphere mantle. In searching for the best-fitting viscosity model, we invert for two variables, the thickness of the elastic lithosphere, He, and the effective Maxwell decay time of the asthenosphere mantle, TM, assuming a 100-km-thick asthenosphere mantle. The best solutions to fit the observations in four sequential time periods, 1960–1964, 1960–1968, 1965–1973 and 1980–2010, each yield a similar He value of about 65 km but significantly increasing TM values of 0.7, 6, 10 and 80 yr, respectively. We calculate the corresponding viscoelastic Coulomb stress increase since 1960 on the future rupture plane of the 2010 M8.8 Maule, Chile earthquake. The calculated viscoelastic stress increase on the 2010 rupture plane varies gradually from 13.1 bars at the southern end to 0.1 bars at the northern end. In contrast, the stress increase caused by an afterslip model has a similar spatial distribution but slightly smaller values of 0.1–3.2 bars on the 2010 rupture plane.
    Description: This work was supported by a MIT/WHOI Joint Program Student Fellowship and a Graduate Student Fellowship from the WHOI Deep Ocean Exploration Institute (MD), as well as NSF Grant OCE-1141785 and a Deerbrook Foundation Award (JL).
    Keywords: Seismic cycle ; Transient deformation ; Seismicity and tectonics ; Subduction zone processes ; Dynamics: seismotectonics ; South America
    Repository Name: Woods Hole Open Access Server
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  • 2
    Publication Date: 2022-05-26
    Description: © The Author(s), 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Genome Biology and Evolution 5 (2013): 2368-2381, doi:10.1093/gbe/evt179.
    Description: The dinoflagellates are an evolutionarily and ecologically important group of microbial eukaryotes. Previous work suggests that horizontal gene transfer (HGT) is an important source of gene innovation in these organisms. However, dinoflagellate genomes are notoriously large and complex, making genomic investigation of this phenomenon impractical with currently available sequencing technology. Fortunately, de novo transcriptome sequencing and assembly provides an alternative approach for investigating HGT. We sequenced the transcriptome of the dinoflagellate Alexandrium tamarense Group IV to investigate how HGT has contributed to gene innovation in this group. Our comprehensive A. tamarense Group IV gene set was compared with those of 16 other eukaryotic genomes. Ancestral gene content reconstruction of ortholog groups shows that A. tamarense Group IV has the largest number of gene families gained (314–1,563 depending on inference method) relative to all other organisms in the analysis (0–782). Phylogenomic analysis indicates that genes horizontally acquired from bacteria are a significant proportion of this gene influx, as are genes transferred from other eukaryotes either through HGT or endosymbiosis. The dinoflagellates also display curious cases of gene loss associated with mitochondrial metabolism including the entire Complex I of oxidative phosphorylation. Some of these missing genes have been functionally replaced by bacterial and eukaryotic xenologs. The transcriptome of A. tamarense Group IV lends strong support to a growing body of evidence that dinoflagellate genomes are extraordinarily impacted by HGT.
    Description: J.H.W. was supported by the NSF IGERT Program in Comparative Genomics at the University of Arizona (grant number DGE-0654435). This work was supported by grants from the National Science Foundation (grant numbers OCE-0723498, EF-0732440) and funding provided by the BIO5 Institute at the University of Arizona to J.D.H.
    Keywords: Gene innovation ; Alexandrium tamarense Group IV ; Phylogenetic profile ; Phylogenomics ; De novo transcriptome assembly ; Mitochondrial metabolism
    Repository Name: Woods Hole Open Access Server
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  • 3
    Publication Date: 2022-05-26
    Description: Author Posting. © Author, 2014. This article is posted here by permission of The Royal Astronomical Society for personal use, not for redistribution. The definitive version was published in Geophysical Journal International 198 (2014): 622-636, doi: 10.1093/gji/ggu121.
    Description: The robust statistical model of a Gaussian core contaminated by outlying data that underlies robust estimation of the magnetotelluric (MT) response function has been re-examined. The residuals from robust estimators are systematically long tailed compared to a distribution based on the Gaussian, and hence are inconsistent with the robust model. Instead, MT data are pervasively described by the alpha stable distribution family whose variance and sometimes mean are undefined. A maximum likelihood estimator (MLE) that exploits the stable nature of MT data is formulated, and its two-stage implementation in which stable parameters are first fit to the data and then the MT responses are solved for is described. The MLE is shown to be inherently robust, but differs from the conventional robust estimator because it is based on a model derived from the data, while robust estimators are ad hoc, being based on the robust model that is inconsistent with actual data. Propriety versus impropriety of the complex MT response was investigated, and a likelihood ratio test for propriety and its null distribution was established. The Cramér-Rao lower bounds for the covariance matrix of proper and improper MT responses were specified. The MLE was applied to exemplar long period and broad-band data sets from South Africa. Both are shown to be significantly stably distributed using the Kolmogorov–Smirnov goodness of fit and Ansari-Bradley non-parametric dispersion tests. Impropriety of the MT responses at both sites is pervasive, hence the improper Cramér-Rao bound was used to estimate the MLE covariance. The MLE is shown to be nearly unbiased and well described by a Gaussian distribution based on bootstrap simulation. The MLE was compared to a conventional robust estimator, establishing that the standard errors of the former are systematically smaller than for the latter and that the standardized differences between them exhibit excursions that are both too frequent and too large to be described by a Gaussian model. This is ascribed to pervasive bias of the robust estimator that is to some degree obscured by their systematically large confidence bounds. Finally, a series of topics for further investigation is proposed.
    Description: This work was supported by NSF grant EAR0809074.
    Keywords: Time series analysis ; Numerical approximations and analysis ; Fractals and multifractals ; Probability distributions ; Magnetotellurics
    Repository Name: Woods Hole Open Access Server
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  • 4
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Journal of Plankton Research 36 (2014): 943-955, doi:10.1093/plankt/fbu029.
    Description: The mechanisms by which phytoplankton cope with stressors in the marine environment are neither fully characterized nor understood. As viruses are the most abundant entities in the global ocean and represent a strong top-down regulator of phytoplankton abundance and diversity, we sought to characterize the cellular response of two marine haptophytes to virus infection in order to gain more knowledge about the nature and diversity of microalgal responses to this chronic biotic stressor. We infected laboratory cultures of the haptophytes Haptolina ericina and Phaeocystis pouchetii with CeV-01B or PpV-01B dsDNA viruses, respectively, and assessed the extent to which host cellular responses resemble programmed cell death (PCD) through the activation of diagnostic molecular and biochemical markers. Pronounced DNA fragmentation and activation of cysteine aspartate-specific proteases (caspases) were only detected in virus-infected cultures of these phytoplankton. Inhibition of host caspase activity by addition of the pan-caspase inhibitor z-VAD-fmk did not impair virus production in either host–virus system, differentiating it from the Emiliania huxleyi-Coccolithovirus model of haptophyte–virus interactions. Nonetheless, our findings point to a general conservation of PCD-like activation during virus infection in ecologically diverse haptophytes, with the subtle heterogeneity of cell death biochemical responses possibly exerting differential regulation on phytoplankton abundance and diversity.
    Description: Funding to J.L.R, R.-A.S. and A.L. was provided by the Norwegian Research Council for the “VIPMAP” (nr. 186142) and “HAPTODIV” (nr. 190307) projects, and by the European Research Council Advanced Grant ERC-AG-LS8 “Microbial Network Organisation” (MINOS, project number 250254). J.L.R. received a FRIBIO overseas research fellowship from the Norwegian Research Council. K.D.B. and B.V.M. were supported by funding from the United States National Science Foundation (OCE-1061883).
    Keywords: Caspase ; DNA fragmentation ; IETD ; Phycodnaviridae ; z-VAD-fmk ; Haptophyte
    Repository Name: Woods Hole Open Access Server
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  • 5
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Genome Biology and Evolution 6 (2014): 2210-2217, doi:10.1093/gbe/evu177.
    Description: The alpha subunits of voltage-gated calcium channels (Cavs) are large transmembrane proteins responsible for crucial physiological processes in excitable cells. They are assisted by three auxiliary subunits that can modulate their electrical behavior. Little is known about the evolution and roles of the various subunits of Cavs in nonbilaterian animals and in nonanimal lineages. For this reason, we mapped the phyletic distribution of the four channel subunits and reconstructed their phylogeny. Although alpha subunits have deep evolutionary roots as ancient as the split between plants and opistokonths, beta subunits appeared in the last common ancestor of animals and their close-relatives choanoflagellates, gamma subunits are a bilaterian novelty and alpha2/delta subunits appeared in the lineage of Placozoa, Cnidaria, and Bilateria. We note that gene losses were extremely common in the evolution of Cavs, with noticeable losses in multiple clades of subfamilies and also of whole Cav families. As in vertebrates, but not protostomes, Cav channel genes duplicated in Cnidaria. We characterized by in situ hybridization the tissue distribution of alpha subunits in the sea anemone Nematostella vectensis, a nonbilaterian animal possessing all three Cav subfamilies common to Bilateria. We find that some of the alpha subunit subtypes exhibit distinct spatiotemporal expression patterns. Further, all six sea anemone alpha subunit subtypes are conserved in stony corals, which separated from anemones 500 MA. This unexpected conservation together with the expression patterns strongly supports the notion that these subtypes carry unique functional roles.
    Keywords: Voltage-gated calcium channel ; Ion channel ; Cnidaria ; Nematostella vectensis ; Evolution of nervous system
    Repository Name: Woods Hole Open Access Server
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  • 6
    Publication Date: 2014-12-13
    Description: Current earthquake early warning (EEW) systems lack the ability to appropriately handle multiple concurrent earthquakes, which led to many false alarms during the 2011 Tohoku earthquake sequence in Japan. This paper uses a Bayesian probabilistic approach to handle multiple concurrent events for EEW. We implement the theory using a two-step algorithm. First, an efficient approximate Bayesian model class selection scheme is used to estimate the number of concurrent events. Then, the Rao-Blackwellized Importance Sampling method with a sequential proposal probability density function is used to estimate the earthquake parameters, that is hypocentre location, origin time, magnitude and local seismic intensity. A real data example based on 2 months data (2011 March 9–April 30) around the time of the 2011 M 9 Tohoku earthquake is studied to verify the proposed algorithm. Our algorithm results in over 90 per cent reduction in the number of incorrect warnings compared to the existing EEW system operating in Japan.
    Keywords: Seismology
    Print ISSN: 0956-540X
    Electronic ISSN: 1365-246X
    Topics: Geosciences
    Published by Oxford University Press on behalf of The Deutsche Geophysikalische Gesellschaft (DGG) and the Royal Astronomical Society (RAS).
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  • 7
    Publication Date: 2014-12-13
    Description: Admixture mapping has been enormously resourceful in identifying genetic variations linked to phenotypes, adaptation, and diseases. In this study through analysis of copy number variable regions (CNVRs), we report extensive restructuring in the genomes of the recently admixed African-Indian population (OG-W-IP) that inhabits a highly saline environment in Western India. The study included subjects from OG-W-IP (OG), five different Indian and three HapMap populations that were genotyped using Affymetrix version 6.0 arrays. Copy number variations (CNVs) detected using Birdsuite were used to define CNVRs. Population structure with respect to CNVRs was delineated using random forest approach. OG genomes have a surprising excess of CNVs in comparison to other studied populations. Individual ancestry proportions computed using STRUCTURE also reveals a unique genetic component in OGs. Population structure analysis with CNV genotypes indicates OG to be distant from both the African and Indian ancestral populations. Interestingly, it shows genetic proximity with respect to CNVs to only one Indian population IE-W-LP4, which also happens to reside in the same geographical region. We also observe a significant enrichment of molecular processes related to ion binding and receptor activity in genes encompassing OG-specific CNVRs. Our results suggest that retention of CNVRs from ancestral natives and de novo acquisition of CNVRs could accelerate the process of adaptation especially in an extreme environment. Additionally, this population would be enormously useful for dissecting genes and delineating the involvement of CNVs in salt adaptation.
    Electronic ISSN: 1759-6653
    Topics: Biology
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  • 8
    Publication Date: 2014-12-12
    Description: We present a catalogue of 2D, point spread function-corrected de Vacouleurs, Sérsic, de Vacouleurs+Exponential, and Sérsic+Exponential fits of ~7 x 10 5 spectroscopically selected galaxies drawn from the Sloan Digital Sky Survey (SDSS) Data Release 7. Fits are performed for the SDSS r band utilizing the fitting routine galfit and analysis pipeline pymorph . We compare these fits to prior catalogues. Fits are analysed using a physically motivated flagging system. The flags suggest that more than 90 per cent of two-component fits can be used for analysis. We show that the fits follow the expected behaviour for early and late galaxy types. The catalogues provide a robust set of structural and photometric parameters for future galaxy studies. We show that some biases remain in the measurements, e.g. the presence of bars significantly affect the bulge measurements although the bulge ellipticity may be used to separate barred and non-barred galaxies, and about 15 per cent of bulges of two-component fits are also affected by resolution. The catalogues are available in electronic format. We also provide an interface for generating postage stamp images of the 2D model and residual as well as the 1D profile. These images can be generated for a user-uploaded list of galaxies on demand.
    Print ISSN: 0035-8711
    Electronic ISSN: 1365-2966
    Topics: Physics
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  • 9
    Publication Date: 2014-12-13
    Description: Charge generation in a typical intermediate connector, composed of “n-type doped layer/transition metal oxide (TMO)/hole transporting layer (HTL),” of a tandem organic light-emitting device (OLED) has recently been found to arise from charge transfer at the TMO/HTL interfaces. In this paper, we investigate the effect of hole injection barriers from intermediate connectors on the performance of tandem OLEDs. The hole injection barriers are caused by the offset of the highest occupied molecular orbital (HOMO) energy levels between HTLs contained in the intermediate connector and the top electroluminescence (EL) unit. We also find that although charge generation can occur at the interfaces between the TMO and a wide variety of HTLs of different HOMO values, an increase in the hole injection barrier however limits the electroluminescence efficiency of the top EL units. In the case of large hole injection barriers, significant charge accumulation in the HTLs makes the intermediate connector lose its functionality gradually over operating time, and limits device stability.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
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  • 10
    Publication Date: 2014-12-09
    Description: Spin-dependent transport properties in CoFe/MgO/n + -Si junctions were investigated by Hanle effect measurements and inelastic electron tunneling (IET) spectroscopy. The CoFe/MgO/n + -Si junctions examined in this study exhibited two different Hanle curves. In the low bias region, broad Hanle signals were mainly observed; in the high bias region, narrow Hanle signals were mainly observed. The d 2 I / dV 2 - V curves (which correspond to IET spectra) contain several peaks originating from phonon modes and other peaks originating from electron trap states. At the bias voltage where electron trap states are observed, Δ d 2 I / dV 2 depends on the magnetic field and the full width at half-maximum of the Δ d 2 I / dV 2 – H curves corresponds to that of the broad Hanle signals. These results indicate that electron trap states are located in the low energy region and cause a decrease in spin lifetime.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
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  • 11
    Publication Date: 2014-12-09
    Description: We elucidate a strong room temperature stimulated emission (SE) of In 0.17 Ga 0.83 N epilayer grown by molecular beam epitaxy under the subpicosecond pulse excitation. The SE peak at 428 nm emerges on the higher energy side of the spontaneous emission in photoluminescence spectra when the excitation density exceeds the threshold of ∼3.68 mJ/cm 2 . Nondegenerate transient differential reflectivity measurements show that a multi-stage carrier thermalization from excited states to localized edge states and stimulated emission dominate the decay processes of photogenerated carriers under various excitation densities. Our results indicate that the existence of phonon bottleneck effect could result in a slow thermalization process in the InGaN material even under the condition of stimulated emission.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
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  • 12
    Publication Date: 2014-12-09
    Description: The relationship between carrier concentration and donor atomic concentration has been determined in n -type Ge films doped with P. The samples were carefully engineered to minimize non-active dopant incorporation by using specially designed P(SiH 3 ) 3 and P(GeH 3 ) 3 hydride precursors. The in situ nature of the doping and the growth at low temperatures, facilitated by the Ge 3 H 8 and Ge 4 H 10 Ge sources, promote the creation of ultra-low resistivity films with flat doping profiles that help reduce the errors in the concentration measurements. The results show that Ge deviates strongly from the incomplete ionization expected when the donor atomic concentration exceeds N d  = 10 17  cm −3 , at which the energy separation between the donor and Fermi levels ceases to be much larger than the thermal energy. Instead, essentially full ionization is seen even at the highest doping levels beyond the solubility limit of P in Ge. The results can be explained using a model developed for silicon by Altermatt and coworkers, provided the relevant model parameter is properly scaled. The findings confirm that donor solubility and/or defect formation, not incomplete ionization, are the major factors limiting the achievement of very high carrier concentrations in n -type Ge. The commercially viable chemistry approach applied here enables fabrication of supersaturated and fully ionized prototypes with potential for broad applications in group-IV semiconductor technologies.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
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  • 13
    Publication Date: 2014-12-09
    Description: We developed a T-gate technology based on selective wet etching yielding 200 nm wide T-gate structures used for fabrication of High Electron Mobility Transistors (HEMT). Major advantages of our process are the use of only standard photolithographic process and the ability to generate T-gate stacks. A HEMT fabricated on AlGaN/GaN/sapphire with gate length L g  = 200 nm and double-stacked T-gates exhibits 60 GHz cutoff frequency showing ten-fold improvement compared to 6 GHz for the same device with 2  μ m gate length. HEMTs with a double-level-T-gate (DLTG) structure exhibit up to 35% improvement of f max value compared to a single T-gate device. This indicates a significant reduction of skin effect losses in DLTG structure compared to its standard T-gate counterpart. These results agree with the theoretical predictions.
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  • 14
    Publication Date: 2014-12-12
    Description: This investigation analyzes the effect of vortex wakes on the Lagrangian displacement of particles induced by the passage of an obstacle in a two-dimensional incompressible and inviscid fluid. In addition to the trajectories of individual particles, we also study their drift and the corresponding total drift areas in the Föppl and Kirchhoff potential flow models. Our findings, which are obtained numerically and in some regimes are also supported by asymptotic analysis, are compared to the wakeless potential flow which serves as a reference. We show that in the presence of the Föppl vortex wake, some of the particles follow more complicated trajectories featuring a second loop. The appearance of an additional stagnation point in the Föppl flow is identified as a source of this effect. It is also demonstrated that, while the total drift area increases with the size of the wake for large vortex strengths, it is actually decreased for small circulation values. On the other hand, the Kirchhoff flow model is shown to have an unbounded total drift area. By providing a systematic account of the wake effects on the drift, the results of this study will allow for more accurate modeling of hydrodynamic stirring.
    Print ISSN: 1070-6631
    Electronic ISSN: 1089-7666
    Topics: Physics
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  • 15
    Publication Date: 2014-12-09
    Description: The magnetic configuration of Mn 2 NiAl ribbon has been investigated. In contrast to Ni 2 MnAl, the compound Mn 2 NiAl with considerable disorder does exhibit ferromagnetism and, due to exchange interaction competition, both ferromagnetic and antiferromagnetic moment orientations can coexist between nearest neighbor Mn atoms. This is unexpected in Heusler alloys. Regarding the mechanism of the martensitic transformation in Mn 50 Ni 50− x Al x , it is found that increasing the Al content results in an unusual change in the lattice constant, a decrease of the transformation entropy change, and enhancement of the calculated electron localization. These results indicate that the p-d covalent hybridization between Mn (or Ni) and Al atoms gradually increases at the expense of the d-d hybridization between Ni and Mn atoms. This leads to an increased stability of the austenite phase and a decrease of the martensitic transformation temperature. For 11 ≤  x  ≤ 14, Mn 50 Ni 50− x Al x ferromagnetic shape memory alloys are obtained.
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  • 16
    Publication Date: 2014-12-09
    Description: Electrowetting (EW) has applications including displays, microactuation, miniaturized chemistry, adaptive optics, and energy harvesting—understanding the physics of EW junctions is of key importance. Here, the roles of semiconductor space-charge and electric double layer in continuous EW at an electrolyte-insulator-semiconductor junction are considered. A model is formulated in terms of experimental parameters—applied voltage, zero-bias wetting contact angle, semiconductor type and doping, insulator thickness and dielectric constant, and electrolyte concentration and dielectric constant. The model predicts, and experiments indicate, that the EW behavior is diminished for low concentration solutions (∼1–10 nM) and lowly doped silicon (10 14 –10 15  cm −3 ).
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    Electronic ISSN: 1077-3118
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  • 17
    Publication Date: 2014-12-12
    Description: The dynamics of the magnetic relaxation process during the sustainment of spheromak configurations at different helicity injection rates is studied. The three-dimensional activity is recovered using time-dependent resistive magnetohydrodynamic simulations. A cylindrical flux conserver with concentric electrodes is used to model configurations driven by a magnetized coaxial gun. Magnetic helicity is injected by tangential boundary flows. Different regimes of sustainment are identified and characterized in terms of the safety factor profile. The spatial and temporal behavior of fluctuations is described. The dynamo action is shown to be in close agreement with existing experimental data. These results are relevant to the design and operation of helicity injected devices, as well as to basic understanding of the plasma relaxation mechanism in quasi-steady state.
    Print ISSN: 1070-664X
    Electronic ISSN: 1089-7674
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  • 18
    Publication Date: 2014-12-12
    Description: The present experiments were performed on the PF-1000 plasma focus device at a current of 2 MA with the deuterium injected from the gas-puff placed in the axis of the anode face. The XUV frames showed, in contrast with the interferograms, the fine structure: filaments and spots up to 1 mm diameter. In the deuterium filling, the short filaments are registered mainly in the region of the internal plasmoidal structures and their number correlates with the intensity of neutron production. The longer filamentary structure was recorded close to the anode after the constriction decay. The long curve-like filaments with spots were registered in the big bubble formed after the pinch phase in the head of the umbrella shape of the plasma sheath. Filaments can indicate the filamentary structure of the current in the pinch. Together with the filaments, small compact balls a few mm in diameter were registered by both interferometry and XUV frame pictures. They emerge out of the dense column and their life-time can be greater than hundreds of ns.
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  • 19
    Publication Date: 2014-12-12
    Description: The radiation pressure acceleration of protons in the interaction of Gaussian laser pulses and surface modulated targets is examined by multi-dimensional particle-in-cell simulations. It is shown that strong longitudinal quasi-static magnetic field is generated on the modulated surface of the target, which significantly enhances the transverse diffusion of electrons. This is beneficial for suppressing the transverse Rayleigh-Taylor instability. Finally, the surface of the accelerated proton beams becomes smoother than that in the case of the planar target, and a final mono-energetic proton beam is obtained by using the surface modulated target.
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  • 20
    Publication Date: 2014-12-09
    Description: We have studied the impact dynamics of non-Newtonian droplets containing poly-(ethylene oxide) (PEO) by using a high speed camera. To get a deeper insight into the droplet-substrate interaction on droplet impact behavior, both the bare droplet and the liquid marbles have been investigated. The usually observed anti-rebound phenomenon caused by the PEO additives can be rejuvenated by enwrapment of droplets with nanoparticles. The presence of PEO in bare droplets greatly enhances the contact line friction and leads to irreversible impalement of the surface structure. Whereas for liquid marbles, the nanoparticle shell on the droplet surface inhibits the impalement. Our results clearly demonstrate that it is the droplet-substrate friction rather than the bulk rheological properties of the liquid that plays the essential role in the anti-rebound effect.
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  • 21
    Publication Date: 2014-12-13
    Description: We present new narrow-band (Hα and [O  iii ]) images and optical spectrophotometry of H  ii regions for a gas-rich low-surface-brightness irregular galaxy, KKR 17. The central surface brightness of the galaxy is μ 0 ( B ) = 24.15 ± 0.03 mag s –2 . The galaxy was detected by the Arecibo Legacy Fast ALFA survey (ALFALFA). Its mass is dominated by neutral hydrogen (H  i ) gas. In contrast, both the stellar masses of the bright H  ii and diffuse stellar regions are small. In addition, the fit to the spectral energy distribution to each region shows the stellar populations of H  ii and diffuse regions are different. The bright H  ii region contains a large fraction of O-type stars, revealing recent strong star formation, whereas the diffuse region is dominated by median age stars with a typical age of ~600 Myr. Using McGaugh's abundance model, we found that the average metallicity of KKR 17 is 12 + (O/H) = 8.0 ± 0.1. The star-formation rate of KKR 17 is 0.21 ± 0.04 M  yr –1 , which is ~1/5 of our Milky Way's. Based on the analysis results for young stellar clusters in the H  ii region, the bright H  ii region has two sub-components with different velocities and metallicities. This may be caused by the outflow of massive stars or merging events. However, the mechanism triggering star formation in the H  ii region is still uncertain.
    Print ISSN: 0035-8711
    Electronic ISSN: 1365-2966
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  • 22
    Publication Date: 2014-12-13
    Description: We review the results of the 1988 multiwavelength campaign on the late-type eclipsing binary YY Geminorum. Observations include: broad-band optical and near-infrared photometry, simultaneous optical and ultraviolet ( IUE ) spectroscopy, X-ray ( Ginga ) and radio (VLA) data. From models fitted to the optical light curves, fundamental physical parameters have been determined together with evidence for transient maculations (spots) located near quadrature longitudes and intermediate latitudes. Eclipses were observed at optical, ultraviolet and radio wavelengths. Significant drops in 6 cm radio emission near the phases of both primary and secondary eclipse indicate relatively compact radio emitting volumes that may lie between the binary components. IUE observations during secondary eclipse are indicative of a uniform chromosphere saturated with Mg  ii emission and an extended volume of Lyα emission. Profile fitting of high-dispersion Hα spectra confirms the chromospheric saturation and indicates significant Hα opacity to heights of a few per cent of the photospheric radius. There is evidence for an enhanced Hα emission region visible near phase 0.25–0.35 which may be associated with a large spot on the primary and with two small optical flares which were also observed at other wavelengths: one in microwave radiation and the other in X-rays. For both flares, L X / L opt is consistent with energy release in closed magnetic structures.
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  • 23
    Publication Date: 2014-12-13
    Description: The dependence of divertor asymmetry and scrape-off layer (SOL) flow on heating power has been investigated in the Experimental Advanced Superconducting Tokamak (EAST). Divertor plasma exhibits an outboard-enhanced in-out asymmetry in heat flux in lower single null configuration for in reversed (ion ∇ B drift direction toward the upper X-point) field directions. Upper single null exhibits an inboard-favored asymmetry in low heating power condition, while exhibits an outboard-favored asymmetry when increasing the heating power. Double null has the strongest in-out asymmetry in heat flux, favoring the outer divertor. The in-out asymmetry ratios of q t , out / q t , in and P out / P total increase with the power across the separatrix P loss , which is probably induced by the enhanced radial particle transport due to a large pressure gradient. The characteristics of the measured SOL parallel flow under various discharge conditions are consistent with the Pfirsch-Schlüter (PS) flow with the parallel Mach number M ∥ decreasing with the line averaged density but increasing with P loss , in the same direction as the PS flow. The contributions of both poloidal E × B drift and parallel flow on poloidal particle transport in SOL on EAST are also assessed.
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  • 24
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2014-12-13
    Description: Magnetic islands have been implemented in the gyrokinetic toroidal code to study the effects of the islands on microturbulence. The pressure profile flattening is verified in the simulation with the islands. Simulations of ion temperature gradient instability find that different toroidal modes are linearly coupled together and that toroidal spectra become broader when the island width increases. The real frequencies and growth rates of different toroidal modes approach each other with the averaged value independent of the island width. The linear mode structures are enhanced at the island separatrices and weakened at the island centers, consistent with the flattening of the pressure profile inside the islands.
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  • 25
    Publication Date: 2014-12-13
    Description: The slow motion of a circular cylinder in a plane Poiseuille flow in a microchannel is analyzed for a wide range of cylinder radii and positions across the channel. The cylinder translates parallel to the channel walls and rotates about its axis. The Stokes approximation is used and the problem is solved analytically using the Papkovich-Fadle eigenfunction expansion and the least-squares method. The stream function and the pressure distribution of the flow field are obtained as results. The force and moment exerted on the cylinder, and the pressure change far from the cylinder, are calculated and shown as functions of the size and location of the cylinder. The results confirm some reciprocal relations exactly. In particular, the translational and rotational velocities of the drifting cylinder in the existing Poiseuille flow are determined. The induced pressure change, when the cylinder drifts in the Poiseuille flow, is also calculated. Some typical streamline patterns, depending on the size and location of the cylinder, are shown and discussed. When the cylinder translates and/or rotates in the channel blocked at infinity, a series of Moffatt eddies appears far from the cylinder in the channel, as expected.
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  • 26
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2014-12-13
    Description: Interactions between capillary and elastic effects are relevant to a variety of applications from micro- and nano-scale manufacturing to biological systems. In this work, we investigate capillary flows in flexible, millimeter-scale cylindrical elastic tubes. We demonstrate that surface tension can cause sufficiently flexible tubes to collapse and coalesce spontaneously through non-axisymmetric buckling, and develop criteria for the initial deformation and complete collapse of a circular tube. Experimental results for capillary rise and evaporation of a liquid in a flexible tube are presented, and several regimes are seen for the equilibrium state of a flexible tube deforming under capillary pressure. Deformations of the tube walls are measured in different regimes and compared with a shell theory model. Analysis and experimental results show that despite the complex and non-axisymmetric deformed shapes of cylindrical structures, the elastocapillary length used in previous literature for flat plates and sheets can be used to predict the behavior of flexible tubes.
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  • 27
    Publication Date: 2014-12-13
    Description: A study is presented for the oblique propagation of ion acoustic cnoidal waves in a magnetized plasma consisting of cold ions and two temperature superthermal electrons modelled by kappa-type distributions. Using the reductive perturbation method, the nonlinear Korteweg de-Vries equation is derived, which further gives the solutions with a special type of cnoidal elliptical functions. Both compressive and rarefactive structures are found for these cnoidal waves. Nonlinear periodic cnoidal waves are explained in terms of plasma parameters depicting the Sagdeev potential and the phase curves. It is found that the density ratio of hot electrons to ions μ significantly modifies compressive/refractive wave structures. Furthermore, the combined effects of superthermality of cold and hot electrons κ c , κ h , cold to hot electron temperature ratio σ , angle of propagation and ion cyclotron frequency ω ci have been studied in detail to analyze the height and width of compressive/refractive cnoidal waves. The findings in the present study could have important implications in understanding the physics of electrostatic wave structures in the Saturn's magnetosphere where two temperature superthermal electrons are present.
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  • 28
    Publication Date: 2014-12-13
    Description: A smart monitoring system for superconducting cable test is proposed with an adaptive current control of a superconducting transformer secondary. The design, based on Fuzzy Gain Scheduling, allows the controller parameters to adapt continuously, and finely, to the working variations arising from transformer nonlinear dynamics. The control system is integrated in a fully digital control loop, with all the related benefits, i.e., high noise rejection, ease of implementation/modification, and so on. In particular, an accurate model of the system, controlled by a Fuzzy Gain Scheduler of the superconducting transformer, was achieved by an experimental campaign through the working domain at several current ramp rates. The model performance was characterized by simulation, under all the main operating conditions, in order to guide the controller design. Finally, the proposed monitoring system was experimentally validated at European Organization for Nuclear Research (CERN) in comparison to the state-of-the-art control system [P. Arpaia, L. Bottura, G. Montenero, and S. Le Naour, “Performance improvement of a measurement station for superconducting cable test,” Rev. Sci. Instrum.83, 095111 (2012)] of the Facility for the Research on Superconducting Cables, achieving a significant performance improvement: a reduction in the system overshoot by 50%, with a related attenuation of the corresponding dynamic residual error (both absolute and RMS) up to 52%.
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  • 29
    Publication Date: 2014-12-13
    Description: This paper presents a method which uses the characteristics of the etch pits induced in a polyallyl-diglycol-carbonate (PADC) detector of the CR-39/PM-355 type to estimate particle energy. This method is based on the data provided by a semiautomatic system that selects tracks according to two parameters, crater diameters, and mean gray level values. In this paper we used the results of the calibration measurements that were obtained in our laboratory in the period 2000–2014. Combining the information on the two parameters it is possible to determine unambiguously the incident projectile energy values. The paper presents the results of an attempt to estimate the energy resolution of the method when analyzing the tracks produced in the CR-39/PM-355 detector by energetic ions such as alpha particles, protons, and deuterons. We discuss the energy resolution of the measurement of light charged particle energy which is based on the parameters (crater diameter and mean gray level value) of tracks induced in solid state nuclear track detectors of the PADC type.
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  • 30
    Publication Date: 2014-12-13
    Description: In this work, an automated apparatus for driving single electrostatic probes and acquiring the plasma-related data has been designed and fabricated. The voltage range of the present system is ±110 V with an adjustable voltage step as low as 3 mV. Voltage and current measurements are carried out with high resolution and high accuracy circuits, both based on 16 bit analog-to-digital converters. The code embedded in a micro-controller, schedules the operation of the device and transfers the experimental data to a personal computer. The modular design of the system makes possible its modification and thus increases its adaptability to different plasma setups. Finally, the reliable operation of the entire device is confirmed by tests in Electron Cyclotron Resonance plasma.
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  • 31
    Publication Date: 2014-12-16
    Description: For magnon spintronic applications, the detailed knowledge of spin wave (SW) beam dispersion, transmission (reflection) of SWs passing through (reflected from) interfaces, or borders or the scattering of SWs by inhomogeneities is crucial. These wave properties are decisive factors on the usefulness of a particular device. Here, we demonstrate, using micromagnetic simulations supported by an analytical model, that the Goos-Hänchen (GH) shift exists for SW reflecting from thin film edge and that with the effect becomes observable. We show that this effect will exist for a broad range of frequencies in the dipole-exchange range, with the magnetization degree of pinning at the film edge as the crucial parameter, whatever its nature. Moreover, we have also found that the GH effect can be accompanied or even dominating by a bending of the SW beam due to the inhomogeneity of the internal magnetic field. This inhomogeneity, created by demagnetizing field taking place at the film edge, causes gradual change of SWs refractive index. The refraction of the SW beams by the non-uniformity of the magnetic field enables the exploration of graded index magnonics and metamaterial properties for the transmission and processing of information at nanoscale.
    Print ISSN: 0003-6951
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  • 32
    Publication Date: 2014-12-16
    Description: As a non-magnetic heavy metal is attached to a ferromagnet, a vertically flowing heat-driven spin current is converted to a transverse electric voltage, which is known as the longitudinal spin Seebeck effect (SSE). If the ferromagnet is a metal, this voltage is also accompanied by voltages from two other sources, i.e., the anomalous Nernst effect in both the ferromagnet and the proximity-induced ferromagnetic boundary layer. By properly identifying and carefully separating those different effects, we find that in this pure spin current circuit the additional spin current drawn by the heavy metal generates another significant voltage by the ferromagnetic metal itself which should be present in all relevant experiments.
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  • 33
    Publication Date: 2014-12-16
    Description: We introduce a confocal shift-interferometer based on optical fibers. The presented spectroscopy allows measuring coherence maps of luminescent samples with a high spatial resolution even at cryogenic temperatures. We apply the spectroscopy onto electrostatically trapped, dipolar excitons in a semiconductor double quantum well. We find that the measured spatial coherence length of the excitonic emission coincides with the point spread function of the confocal setup. The results are consistent with a temporal coherence of the excitonic emission down to temperatures of 250 mK.
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  • 34
    Publication Date: 2014-12-16
    Description: We demonstrate enhanced hydrogen generation rates at high pH using colloidal cadmium sulphide nanorods decorated with Pt nanoparticles. We introduce a simplified procedure for the decoration and subsequent hydrogen generation, reducing both the number of working steps and the materials costs. Different Pt precursor concentrations were tested to reveal the optimal conditions for the efficient hydrogen evolution. A sharp increase in hydrogen evolution rates was measured at pH 13 and above, a condition at which the surface charge transfer was efficiently mediated by the formation of hydroxyl radicals and further consumption by the sacrificial triethanolamine hole scavenger.
    Electronic ISSN: 2166-532X
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 35
    Publication Date: 2014-12-16
    Description: Spatial gaps between grains and other grains, substrates, or electrodes in organic electronic devices are one of the causes of the reduction in the electrical characteristics. In this study, we demonstrate that cold isostatic pressing (CIP) is an effective method to crush the gaps and enhance the electrical characteristics. CIP of metal-free phthalocyanine (H 2 PC) films induced a decrease in the film thickness by 34%–40% because of the gap crush. The connection of smaller grains into a larger grain and planarization of the film surface were also observed in the CIP film. The crystal axes of the H 2 PC crystallites were rearranged from the a-axis to the c-axis of the α-phase crystal structure in a direction perpendicular to the substrate by CIP, indicating favorable hole injection and transport in this direction because of a better overlap of π orbitals. Thermally stimulated current measurements showed that deep hole traps disappeared and the total hole-trap density decreased after CIP. These CIP-induced changes of the film thicknesses, crystal axes and the hole traps lead to a marked increase in the hole mobility of the H 2 PC films from 2.0 × 10 −7 to 4.0 × 10 −4 cm 2 /V s by 2000 times in the perpendicular direction. We believe that these findings are important for unveiling the underlying carrier injection and transport mechanisms of organic films and for enhancing the performance of future organic electronic devices.
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  • 36
    Publication Date: 2014-12-16
    Description: Anomalous Hall effect (AHE) based ferromagnetic resonance (FMR) measurements were carried out on perpendicularly magnetized Co/Pt multilayer single dots of 0.4–3  μ m in diameter. The resonance behavior was measured by detecting the decrease of perpendicular magnetization component due to magnetization precession. Resonance behavior was observed as a clear decrease of Hall voltages, and the obtained resonance fields were consistent with the results of vector-network-analyzer FMR. Spin-waves with cylindrical symmetry became significant by decreasing the dot diameter, and quantized multiple resonances were observed in the dot of 0.4 μm in diameter. The AHE based FMR proposed here is a powerful method to approach magnetization dynamics including spin waves and non-linear behavior excited in a finite nanostructure.
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  • 37
    Publication Date: 2014-12-14
    Description: To make relevant predictions about observable emission, hydrodynamical simulation codes must employ schemes that account for radiative losses, but the large dimensionality of accurate radiative transfer schemes is often prohibitive. Stamatellos and collaborators introduced a scheme for smoothed particle hydrodynamics (SPH) simulations based on the notion of polytropic pseudo-clouds that uses only local quantities to estimate cooling rates. The computational approach is extremely efficient and works well in cases close to spherical symmetry, such as in star formation problems. Unfortunately, the method, which takes the local gravitational potential as an input, can be inaccurate when applied to non-spherical configurations, limiting its usefulness when studying discs or stellar collisions, among other situations of interest. Here, we introduce the ‘pressure scale height method,’ which incorporates the fluid pressure scaleheight into the determination of column densities and cooling rates, and show that it produces more accurate results across a wide range of physical scenarios while retaining the computational efficiency of the original method. The tested models include spherical polytropes as well as discs with specified density and temperature profiles. We focus on applying our techniques within an SPH code, although our method can be implemented within any particle-based Lagrangian or grid-based Eulerian hydrodynamic scheme. Our new method may be applied in a broad range of situations, including within the realm of stellar interactions, collisions, and mergers.
    Print ISSN: 0035-8711
    Electronic ISSN: 1365-2966
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  • 38
    Publication Date: 2014-12-16
    Description: We introduce a method for generating rational extensions of time-dependent potentials, such that the associated Schrödinger equation admits solutions in terms of exceptional orthogonal polynomials. Our method is applicable to position-dependent Schrödinger equations, as well as to their conventional counterparts for constant mass.
    Print ISSN: 0022-2488
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  • 39
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2014-12-16
    Description: In this paper, we prove the existence of the Stark-Wannier quantum resonances for one-dimensional Schrödinger operators with smooth periodic potential and small external homogeneous electric field. Such a result extends the existence result previously obtained in the case of periodic potentials with a finite number of open gaps.
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  • 40
    Publication Date: 2014-12-16
    Description: We study four citrate synthase homodimeric proteins within a structure-based coarse-grained model. Two of these proteins come from thermophilic bacteria, one from a cryophilic bacterium and one from a mesophilic organism; three are in the closed and two in the open conformations. Even though the proteins belong to the same fold, the model distinguishes the properties of these proteins in a way which is consistent with experiments. For instance, the thermophilic proteins are more stable thermodynamically than their mesophilic and cryophilic homologues, which we observe both in the magnitude of thermal fluctuations near the native state and in the kinetics of thermal unfolding. The level of stability correlates with the average coordination number for amino acid contacts and with the degree of structural compactness. The pattern of positional fluctuations along the sequence in the closed conformation is different than in the open conformation, including within the active site. The modes of correlated and anticorrelated movements of pairs of amino acids forming the active site are very different in the open and closed conformations. Taken together, our results show that the precise location of amino acid contacts in the native structure appears to be a critical element in explaining the similarities and differences in the thermodynamic properties, local flexibility, and collective motions of the different forms of the enzyme.
    Electronic ISSN: 1931-9223
    Topics: Chemistry and Pharmacology , Physics
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  • 41
    Publication Date: 2014-12-16
    Description: We give an algorithm which produces a unique element of the Clifford group on n qubits ( C n ) from an integer 0 ≤ i 〈 C n (the number of elements in the group). The algorithm involves O ( n 3 ) operations and provides, in addition to a canonical mapping from the integers to group elements g , a factorization of g into a sequence of at most 4 n symplectic transvections. The algorithm can be used to efficiently select random elements of C n which are often useful in quantum information theory and quantum computation. We also give an algorithm for the inverse map, indexing a group element in time O ( n 3 ).
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  • 42
    Publication Date: 2014-12-16
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  • 43
    Publication Date: 2014-12-16
    Description: We present laboratory experimental results demonstrating that librational forcing of an ellipsoidal container of water can produce intense motions through the mechanism of a libration driven elliptical instability (LDEI). These libration studies are conducted using an ellipsoidal acrylic container filled with water. A particle image velocimetry method is used to measure the 2D velocity field in the equatorial plane over hundreds libration cycles for a fixed Ekman number, E = 2 × 10 −5 . In doing so, we recover the libration induced base flow and a time averaged zonal flow. Further, we show that LDEI in non-axisymmetric container geometries is capable of driving both intermittent and saturated turbulent motions in the bulk fluid. Additionally, we measure the growth rate and amplitude of the LDEI induced excited flow in a fully ellipsoidal container at more extreme parameters than previously studied [Noir et al. , “Experimental study of libration-driven flows in nonaxisymmetric containers,” Phys. Earth Planet. Inter. 204-205 , 1 (2012); Cébron et al. , Phys. Fluids 24 , 061703, “Libration driven elliptical instability,” (2012)]. Excitation of bulk filling turbulence by librational forcing provides a mechanism for transferring rotational energy into turbulent fluid motion and thus can play an important role in the thermal evolution, interior dynamics, and magneto-hydrodynamics of librating bodies, as appear to be common in solar system settings [e.g., Comstock and Bills, “A solar system survey of forced librations in longitude,” J. Geophys. Res. Planets 108 , 1 (2003)].
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  • 44
    Publication Date: 2014-12-16
    Description: We numerically study the displacement flow of two iso-viscous Newtonian fluids in an inclined two-dimensional channel, formed by two parallel plates. The results are complementary to our previous studies on displacement flows in pipes and channels. The heavier displacing fluid moves the lighter displaced fluid in the downward direction. Three dimensionless groups largely describe these flows: the densimetric Froude number ( Fr ), the Reynolds number ( Re ), and the duct inclination (β). As a first order approximation, we are able to classify different flow regimes phenomenologically in a two-dimensional ( Fr ; Re cosβ/ Fr )-plane and provide leading order expressions for the transitions between different regimes. The stabilizing and/or de-stabilizing effects of the imposed mean flow on buoyant exchange flows (zero imposed velocity) are described for a broad range of dimensionless parameters.
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  • 45
    Publication Date: 2014-12-16
    Description: Compressible granular materials are involved in many applications, some of them being related to energetic porous media. Gas permeation effects are important during their compaction stage, as well as their eventual chemical decomposition. Also, many situations involve porous media separated from pure fluids through two-phase interfaces. It is thus important to develop theoretical and numerical formulations to deal with granular materials in the presence of both two-phase interfaces and gas permeation effects. Similar topic was addressed for fluid mixtures and interfaces with the Discrete Equations Method (DEM) [R. Abgrall and R. Saurel, “Discrete equations for physical and numerical compressible multiphase mixtures,” J. Comput. Phys. 186 (2), 361-396 (2003)] but it seemed impossible to extend this approach to granular media as intergranular stress [K. K. Kuo, V. Yang, and B. B. Moore, “Intragranular stress, particle-wall friction and speed of sound in granular propellant beds,” J. Ballist. 4 (1), 697-730 (1980)] and associated configuration energy [J. B. Bdzil, R. Menikoff, S. F. Son, A. K. Kapila, and D. S. Stewart, “Two-phase modeling of deflagration-to-detonation transition in granular materials: A critical examination of modeling issues,” Phys. Fluids 11 , 378 (1999)] were present with significant effects. An approach to deal with fluid-porous media interfaces was derived in Saurel et al. [“Modelling dynamic and irreversible powder compaction,” J. Fluid Mech. 664 , 348-396 (2010)] but its validity was restricted to weak velocity disequilibrium only. Thanks to a deeper analysis, the DEM is successfully extended to granular media modelling in the present paper. It results in an enhanced version of the Baer and Nunziato [“A two-phase mixture theory for the deflagration-to-detonation transition (DDT) in reactive granular materials,” Int. J. Multiphase Flow 12 (6), 861-889 (1986)] model as symmetry of the formulation is now preserved. Several computational examples are shown to validate and illustrate method’s capabilities.
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  • 46
    Publication Date: 2014-12-16
    Description: We perform a theoretical and numerical study of the Coulomb-driven electroconvection flow of a dielectric liquid between two coaxial cylinders. The specific case, where the inner to outer diameter ratio is 0.5, is analyzed. A strong unipolar injection of ions either from the inner or outer cylinder is considered to introduce free charge carriers into the system. A finite volume method is used to solve all governing equations including Navier-Stokes equations and a simplified set of Maxwell’s equations. The flow is characterized by a subcritical bifurcation in the finite amplitude regime. A linear stability criterion and a nonlinear one that correspond to the onset and stop of the flow motion, respectively, are linked with a hysteresis loop. In addition, we also explore the behavior of the system for higher values of the stability parameter. For inner injection, we observe a transition between the patterns made of 7 and 8 cells, before an oscillatory regime is attained. Such a transition leads to a second finite amplitude stability criterion. A simple modal analysis reveals that the competition of different modes is at the origin of this behavior. The charge density, as well as velocity field distributions is provided to help understand the bifurcation behavior.
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  • 47
    Publication Date: 2014-12-16
    Description: We report on the production of metal ions of magnesium and zinc in the beam plasma formed by a forevacuum-pressure electron source. Magnesium and zinc vapor were generated by electron beam evaporation from a crucible and subsequently ionized by electron impact from the e-beam itself. Both gaseous and metallic plasmas were separately produced and characterized using a modified RGA-100 quadrupole mass-spectrometer. The fractional composition of metal isotopes in the plasma corresponds to their fractional natural abundance.
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  • 48
    Publication Date: 2014-12-16
    Description: To better understand the role of residual electrons in the repeatability of an atmospheric pressure plasma plume, the characteristics of a helium plasma jet from the 1st, 2nd,… until the repeatable discharge pulse are investigated for the first time. It's found that the longest plasma plume is achieved in the 1st discharge pulse. The length of the plasma plume becomes shorter and shorter and reaches a constant value in the 3rd discharge pulse and keeps the same for the following pulses. The dynamics of the 1st discharge pulse show that the plasma bullet appears random in nature. Two photomultiplier tubes are used to distinguish the two potential factors that could result in the stochastic dynamics of the plasma bullet, i.e., stochastic ignition of the plasma and the stochastic propagation velocity. The results show that the stochastic propagation velocity occurs only in the 1st and the 2nd discharge pulses, while the stochastic ignition of the plasma presents until the 100th pulse. The dynamics of the plasma propagation become repeatable after about 100 pulses. Detail analysis shows that the repeatability of plasma bullet is due to the residual electrons density. The residual electron density of 10 9  cm −3 or higher is needed for repeatable discharges mode.
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  • 49
    Publication Date: 2014-12-16
    Description: We present a full two-fluid magnetohydrodynamic (MHD) description for a completely ionized hydrogen plasma, retaining the effects of the Hall current, electron pressure, and electron inertia. According to this description, each plasma species introduces a new spatial scale: the ion inertial length λ i and the electron inertial length λ e , which are not present in the traditional MHD description. In the present paper, we seek for possible changes in the energy power spectrum in fully developed turbulent regimes, using numerical simulations of the two-fluid equations in two-and-a-half dimensions. We have been able to reproduce different scaling laws in different spectral ranges, as it has been observed in the solar wind for the magnetic energy spectrum. At the smallest wavenumbers where plain MHD is valid, we obtain an inertial range following a Kolmogorov k −5∕3 law. For intermediate wavenumbers such that λ i − 1 ≪ k ≪ λ e − 1 , the spectrum is modified to a k −7∕3 power-law, as has also been obtained for Hall-MHD neglecting electron inertia terms. When electron inertia is retained, a new spectral region given by k 〉 λ e − 1 arises. The power spectrum for magnetic energy in this region is given by a k −11∕3 power law. Finally, when the terms of electron inertia are retained, we study the self-consistent electric field. Our results are discussed and compared with those obtained in the solar wind observations and previous simulations.
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  • 50
    Publication Date: 2014-12-16
    Description: A novel mechanism of collisionless heating in large planar arrays of small inductive coils operated at radio frequencies is presented. In contrast to the well-known case of non-local heating related to the transversal conductivity, when the electrons move perpendicular to the planar coil, we investigate the problem of electrons moving in a plane parallel to the coils. Two types of periodic structures are studied. Resonance velocities where heating is efficient are calculated analytically by solving the Vlasov equation. Certain scaling parameters are identified. The concept is further investigated by a single particle simulation based on the ergodic principle and combined with a Monte Carlo code allowing for collisions with Argon atoms. Resonances, energy exchange, and distribution functions are obtained. The analytical results are confirmed by the numerical simulation. Pressure and electric field dependences are studied. Stochastic heating is found to be most efficient when the electron mean free path exceeds the size of a single coil cell. Then the mean energy increases approximately exponentially with the electric field amplitude.
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  • 51
    Publication Date: 2014-12-16
    Description: A pulsed slow-positron beam generated by an electron linear accelerator was directly used for positron annihilation lifetime spectroscopy without any positron storage devices. A waveform digitizer was introduced to simultaneously capture multiple gamma-ray signals originating from positron annihilation events during a single accelerator pulse. The positron pulse was chopped and bunched with the chopper signals also sent to the waveform digitizer. Time differences between the annihilation gamma-ray and chopper peaks were calculated and accumulated as lifetime spectra in a computer. The developed technique indicated that positron annihilation lifetime spectroscopy can be performed in a 20 μ s time window at a pulse repetition rate synchronous with the linear accelerator. Lifetime spectra of a Kapton sheet and a thermally grown SiO 2 layer on Si were successfully measured. Synchronization of positron lifetime measurements with pulsed ion irradiation was demonstrated by this technique.
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  • 52
    Publication Date: 2014-12-17
    Description: Surface nuclear magnetic resonance (surface-NMR) is a promising technique for exploring shallow subsurface aquifer structures. Surface-NMR can be applied in environments that are characterized as a 1-D layered Earth. The technique utilizes a single loop and is referred to as magnetic resonance sounding. The technique referred to as magnetic resonance tomography (MRT) allows complex 2-D aquifer structures to be explored. Currently, MRT requires multiple loops and a roll along measurement scheme, which causes long survey time. We propose a loop layout using an elongated transmitter and an in-loop receiver arrays (ETRA) to conduct a 2-D survey with just one measurement. We present a comprehensive comparison between the new layout and the common approaches based on sensitivity and resolution analyses and show synthetic and field data. The results show that ETRA generates subsurface images at sufficient resolution with significantly lower survey times than other loop layouts.
    Keywords: Geomagnetism, Rock Magnetism and Palaeomagnetism
    Print ISSN: 0956-540X
    Electronic ISSN: 1365-246X
    Topics: Geosciences
    Published by Oxford University Press on behalf of The Deutsche Geophysikalische Gesellschaft (DGG) and the Royal Astronomical Society (RAS).
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  • 53
    Publication Date: 2014-12-17
    Description: Measurements of ground deformation can be used to identify and interpret geophysical processes occurring at volcanoes. Most studies rely on a single geodetic technique, or fit a geophysical model to the results of multiple geodetic techniques. Here we present a methodology that combines GPS, Total Station measurements and InSAR into a single reference frame to produce an integrated 3-D geodetic velocity surface without any prior geophysical assumptions. The methodology consists of five steps: design of the network, acquisition and processing of the data, spatial integration of the measurements, time series computation and finally the integration of spatial and temporal measurements. The most significant improvements of this method are (1) the reduction of the required field time, (2) the unambiguous detection of outliers, (3) an increased measurement accuracy and (4) the construction of a 3-D geodetic velocity field. We apply this methodology to ongoing motion on Arenal's western flank. Integration of multiple measurement techniques at Arenal volcano revealed a deformation field that is more complex than that described by individual geodetic techniques, yet remains consistent with previous studies. This approach can be applied to volcano monitoring worldwide and has the potential to be extended to incorporate other geodetic techniques and to study transient deformation.
    Keywords: Gravity, Geodesy and Tides
    Print ISSN: 0956-540X
    Electronic ISSN: 1365-246X
    Topics: Geosciences
    Published by Oxford University Press on behalf of The Deutsche Geophysikalische Gesellschaft (DGG) and the Royal Astronomical Society (RAS).
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  • 54
    Publication Date: 2014-12-17
    Description: Structured metal surfaces could support spoof surface plasmon polaritons (SPPs), the dispersion of which is determined by the cutoff condition of guided modes in the nanostructures. We show that we can achieve split spoof SPPs by breaking the degeneracy of guided helical modes in concentric nanostructures via the classic analogue of the Zeeman effect. This split effect is shown to be observable from the spectra of enhanced electromagnetic transmission. Spin-sensitive enhanced electromagnetic transmission and the associated characteristics of field are investigated. Transmission branches versus parallel wavevector can be satisfactorily fitted by using the dispersion of spoof SPPs.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
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  • 55
    Publication Date: 2014-12-17
    Description: Light-induced degradation (LID) is a deleterious effect in crystalline silicon, which is considered to originate from recombination-active boron-oxygen complexes and/or copper-related defects. Although LID in both cases appears as a fast initial decay followed by a second slower degradation, we show that the time constant of copper-related degradation increases with increasing boron concentration in contrast to boron-oxygen LID. Temperature-dependent analysis reveals that the defect formation is limited by copper diffusion. Finally, interface defect density measurements confirm that copper-related LID is dominated by recombination in the wafer bulk.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
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  • 56
    Publication Date: 2014-12-17
    Description: In this paper, we report the existence of intervalence charge transfer (IVCT) luminescence in Yb-doped fluorite-type crystals associated with Yb 2+ –Yb 3+ mixed valence pairs. By means of embedded cluster, wave function theory ab initio calculations, we show that the widely studied, very broad band, anomalous emission of Yb 2+ -doped CaF 2 and SrF 2 , usually associated with impurity-trapped excitons, is, rather, an IVCT luminescence associated with Yb 2+ –Yb 3+ mixed valence pairs. The IVCT luminescence is very efficiently excited by a two-photon upconversion mechanism where each photon provokes the same strong 4 f 14 –1 A 1g → 4 f 13 ( 2 F 7/2 )5 de g –1 T 1u absorption in the Yb 2+ part of the pair: the first one, from the pair ground state; the second one, from an excited state of the pair whose Yb 3+ moiety is in the higher 4 f 13 ( 2 F 5/2 ) multiplet. The Yb 2+ –Yb 3+ → Yb 3+ –Yb 2+ IVCT emission consists of an Yb 2+ 5 de g → Yb 3+ 4 f 7/2 charge transfer accompanied by a 4 f 7/2 → 4 f 5/2 deexcitation within the Yb 2+ 4 f 13 subshell: [ 2 F 5/2 5 de g , 2 F 7/2 ] → [ 2 F 7/2 ,4 f 14 ]. The IVCT vertical transition leaves the oxidized and reduced moieties of the pair after electron transfer very far from their equilibrium structures; this explains the unexpectedly large band width of the emission band and its low peak energy, because the large reorganization energies are subtracted from the normal emission. The IVCT energy diagrams resulting from the quantum mechanical calculations explain the different luminescent properties of Yb-doped CaF 2 , SrF 2 , BaF 2 , and SrCl 2 : the presence of IVCT luminescence in Yb-doped CaF 2 and SrF 2 ; its coexistence with regular 5 d -4 f emission in SrF 2 ; its absence in BaF 2 and SrCl 2 ; the quenching of all emissions in BaF 2 ; and the presence of additional 5 d –4 f emissions in SrCl 2 which are absent in SrF 2 . They also allow to interpret and reproduce recent experiments on transient photoluminescence enhancement in Yb 2+ -doped CaF 2 and SrF 2 , the appearance of Yb 2+ 4 f –5 d absorption bands in the excitation spectra of the IR Yb 3+ emission in partly reduced CaF 2 :Yb 3+ samples, and to identify the broadband observed in the excitation spectrum of the so far called anomalous emission of SrF 2 :Yb 2+ as an IVCT absorption, which corresponds to an Yb 2+ 4 f 5/2 → Yb 3+ 4 f 7/2 electron transfer.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
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  • 57
    Publication Date: 2014-12-17
    Description: A classical limit of quantum dynamics can be defined by compensation of the quantum potential in the time-dependent Schrödinger equation. The quantum potential is a non-local quantity, defined in the trajectory-based form of the Schrödinger equation, due to Madelung, de Broglie, and Bohm, which formally generates the quantum-mechanical features in dynamics. Selective inclusion of the quantum potential for the degrees of freedom deemed “quantum,” defines a hybrid quantum/classical dynamics, appropriate for molecular systems comprised of light and heavy nuclei. The wavefunction is associated with all of the nuclei, and the Ehrenfest, or mean-field, averaging of the force acting on the classical degrees of freedom, typical of the mixed quantum/classical methods, is avoided. The hybrid approach is used to examine evolution of light/heavy systems in the harmonic and double-well potentials, using conventional grid-based and approximate quantum-trajectory time propagation. The approximate quantum force is defined on spatial domains, which removes unphysical coupling of the wavefunction fragments corresponding to distinct classical channels or configurations. The quantum potential, associated with the quantum particle, generates forces acting on both quantum and classical particles to describe the backreaction.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
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  • 58
    Publication Date: 2014-12-17
    Description: In the present work, we redefine and generalize the action principle for dissipative systems proposed by Riewe by fixing the mathematical inconsistencies present in the original approach. In order to formulate a quadratic Lagrangian for non-conservative systems, the Lagrangian functions proposed depend on mixed integer order and fractional order derivatives. As examples, we formulate a quadratic Lagrangian for a particle under a frictional force proportional to the velocity and to the classical problem of an accelerated point charge.
    Print ISSN: 0022-2488
    Electronic ISSN: 1089-7658
    Topics: Mathematics , Physics
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  • 59
    Publication Date: 2014-12-17
    Description: We consider a very natural generalization of quantum theory by letting the dimension of the Bloch ball be not necessarily three. We analyze bipartite state spaces where each of the components has a d -dimensional Euclidean ball as state space. In addition to this, we impose two very natural assumptions: the continuity and reversibility of dynamics and the possibility of characterizing bipartite states by local measurements. We classify all these bipartite state spaces and prove that, except for the quantum two-qubit state space, none of them contains entangled states. Equivalently, in any of these non-quantum theories, interacting dynamics is impossible. This result reveals that “existence of entanglement” is the requirement with minimal logical content which singles out quantum theory from our family of theories.
    Print ISSN: 0022-2488
    Electronic ISSN: 1089-7658
    Topics: Mathematics , Physics
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  • 60
    Publication Date: 2014-12-17
    Description: A covariant algorithm for deriving the conserved quantities for natural Hamiltonian systems is combined with the non-relativistic framework of Eisenhart, and of Duval, in which the classical trajectories arise as geodesics in a higher dimensional space-time, realized by Brinkmann manifolds. Conserved quantities which are polynomial in the momenta can be built using time-dependent conformal Killing tensors with flux. The latter are associated with terms proportional to the Hamiltonian in the lower dimensional theory and with spectrum generating algebras for higher dimensional quantities of order 1 and 2 in the momenta. Illustrations of the general theory include the Runge-Lenz vector for planetary motion with a time-dependent gravitational constant G ( t ), motion in a time-dependent electromagnetic field of a certain form, quantum dots, the Hénon-Heiles and Holt systems, respectively, providing us with Killing tensors of rank that ranges from one to six.
    Print ISSN: 0022-2488
    Electronic ISSN: 1089-7658
    Topics: Mathematics , Physics
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  • 61
    Publication Date: 2014-12-17
    Description: We demonstrate both theoretically and experimentally that the microwave-shielding effectiveness of a double-layer metallic mesh with a submillimeter period can be improved by increasing the separation between the two mesh layers (without affecting transmittance). This double-layer mesh consists of two layers of square aluminum mesh separated by a quartz-glass substrate. By increasing the substrate's optical thickness from zero to λ / 4   of the shielding band's upper frequency, the shielding of the double-layer mesh improves considerably, owing to the increased reflectivity of the double-layer mesh with increasing separation in the low-frequency band. A Ku-band shielding effectiveness of over 32 dB is observed for the double-layer mesh with a normalized visible transmittance greater than 91%. It is found that the electromagnetic shielding effectiveness is enhanced by over 7 dB (80.0% energy attenuation) across the Ku-band, compared with that of a single-layer mesh, while the optical transmittances are almost identical for both tested structures. Such an enhancement permits the design of high-transparency optical elements with stronger microwave shielding that can be achieved using single-layer metallic mesh.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
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  • 62
    Publication Date: 2014-12-17
    Description: This letter performed polarized microscopic laser Raman scattering spectroscopy on the curved edges of transferred epitaxial graphene on SiO 2 /Si. The intensity ratio between the parallel and perpendicular polarized D band is evolved, providing a spectroscopy-based technique to probe the atomic-scale edge structures in graphene. A detailed analysis procedure for non-ideal disordered curved edges of graphene is developed combining the atomic-scale zigzag and armchair edge structures along with some point defects. These results could provide valuable information of the realistic edges of graphene at the atomic-scale that can strongly influence the performance of graphene-based nanodevices.
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    Electronic ISSN: 1077-3118
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  • 63
    Publication Date: 2014-12-17
    Description: We measure and quantify properties of galactic outflows and diffuse gas at z ≥ 1 in cosmological hydrodynamical simulations. Our novel subresolution model, Multi-Phase Particle Integrator (MUPPI), implements supernova feedback using fully local gas properties, where the wind velocity and mass loading are not given as input. We find the following trends at z  = 2 by analysing central galaxies having a stellar mass higher than 10 9 M . The outflow velocity and mass outflow rate ( $\dot{M}_{\rm out}$ ) exhibit positive correlations with galaxy mass and with the star formation rate (SFR). However, most of the relations present a large scatter. The outflow mass loading factor () is between 0.2 and 10. The comparison effective model generates a constant outflow velocity, and a negative correlation of with halo mass. The number fraction of galaxies where outflow is detected decreases at lower redshifts, but remains more than 80 per cent over z  = 1–5. The outflow velocity correlation with SFR becomes flatter at z  = 1, and displays a negative correlation with halo mass in massive galaxies. Our study demonstrates that both the MUPPI and effective models produce significant outflows at ~1/10 of the virial radius; at the same time shows that the properties of outflows generated can be different from the input speed and mass loading in the effective model. Our MUPPI model, using local properties of gas in the subresolution recipe, is able to develop galactic outflows whose properties correlate with global galaxy properties , and consistent with observations.
    Print ISSN: 0035-8711
    Electronic ISSN: 1365-2966
    Topics: Physics
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  • 64
    Publication Date: 2014-12-17
    Description: In this paper, we explore the effects of electrostatic parametric amplification on a high quality factor (Q 〉 100 000) encapsulated disk resonator gyroscope (DRG), fabricated in 〈100〉 silicon. The DRG was operated in the n = 2 degenerate wineglass mode at 235 kHz, and electrostatically tuned so that the frequency split between the two degenerate modes was less than 100 mHz. A parametric pump at twice the resonant frequency is applied to the sense axis of the DRG, resulting in a maximum scale factor of 156.6  μ V/(°/s), an 8.8× improvement over the non-amplified performance. When operated with a parametric gain of 5.4, a minimum angle random walk of 0.034°/√h and bias instability of 1.15°/h are achieved, representing an improvement by a factor of 4.3× and 1.5×, respectively.
    Print ISSN: 0003-6951
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  • 65
    Publication Date: 2014-12-17
    Description: We propose a control element for a Josephson spin valve. It is a complex Josephson device containing ferromagnetic (F) layer in the weak-link area consisting of two regions, representing 0 and π Josephson junctions, respectively. The valve's state is defined by mutual orientations of the F-layer magnetization vector and boundary line between 0 and π sections of the device. We consider possible implementation of the control element by introduction of a thin normal metal layer in a part of the device area. By means of theoretical simulations, we study properties of the valve's structure as well as its operation, revealing such advantages as simplicity of control, high characteristic frequency, and good legibility of the basic states.
    Print ISSN: 0003-6951
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  • 66
    Publication Date: 2014-12-17
    Description: Thin films of the lead-free ferroelectric Na 0.5 Bi 0.5 TiO 3 grown on thin-film Pt electrodes supported by SrTiO 3 substrates have a complex microstructure consisting of crystalline grains with three distinct major crystallographic orientations. The piezoelectric response measured in spatially separated sub-micron grains using time-resolved synchrotron x-ray microdiffraction is highly inhomogeneous even among grains sharing the same major orientation. The piezoelectric coefficient d 33 varies by nearly a factor of two in a series of areas sharing the 〈001〉 orientation. The piezoelectric inhomogeneity is linked to the peculiar microstructure of the film, arising from local variations in the stress imposed by surrounding grains with different crystallographic orientations and differing directions of the ferroelectric remnant polarization. A systematic nonlinearity of the piezoelectric strain is observed in applied electric fields with small magnitudes in all regions, consistent with the coexistence of domains of differing polarization direction at zero applied electric field.
    Print ISSN: 0003-6951
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  • 67
    Publication Date: 2014-12-17
    Description: The advent in high-throughput-sequencing (HTS) technologies has revolutionized conventional biodiversity research by enabling parallel capture of DNA sequences possessing species-level diagnosis. However, polymerase chain reaction (PCR)-based implementation is biased by the efficiency of primer binding across lineages of organisms. A PCR-free HTS approach will alleviate this artefact and significantly improve upon the multi-locus method utilizing full mitogenomes. Here we developed a novel multiplex sequencing and assembly pipeline allowing for simultaneous acquisition of full mitogenomes from pooled animals without DNA enrichment or amplification. By concatenating assemblies from three de novo assemblers, we obtained high-quality mitogenomes for all 49 pooled taxa, with 36 species 〉15 kb and the remaining 〉10 kb, including 20 complete mitogenomes and nearly all protein coding genes (99.6%). The assembly quality was carefully validated with Sanger sequences, reference genomes and conservativeness of protein coding genes across taxa. The new method was effective even for closely related taxa, e.g. three Drosophila spp., demonstrating its broad utility for biodiversity research and mito-phylogenomics. Finally, the in silico simulation showed that by recruiting multiple mito-loci, taxon detection was improved at a fixed sequencing depth. Combined, these results demonstrate the plausibility of a multi-locus mito-metagenomics approach as the next phase of the current single-locus metabarcoding method.
    Keywords: Genomics
    Print ISSN: 0305-1048
    Electronic ISSN: 1362-4962
    Topics: Biology
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  • 68
    Publication Date: 2014-12-17
    Description: The efficacy and the mutation spectrum of genome editing methods can vary substantially depending on the targeted sequence. A simple, quick assay to accurately characterize and quantify the induced mutations is therefore needed. Here we present TIDE, a method for this purpose that requires only a pair of PCR reactions and two standard capillary sequencing runs. The sequence traces are then analyzed by a specially developed decomposition algorithm that identifies the major induced mutations in the projected editing site and accurately determines their frequency in a cell population. This method is cost-effective and quick, and it provides much more detailed information than current enzyme-based assays. An interactive web tool for automated decomposition of the sequence traces is available. TIDE greatly facilitates the testing and rational design of genome editing strategies.
    Keywords: Targeted gene modification
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  • 69
    Publication Date: 2014-12-17
    Description: NMR chemical shift predictions based on empirical methods are nowadays indispensable tools during resonance assignment and 3D structure calculation of proteins. However, owing to the very limited statistical data basis, such methods are still in their infancy in the field of nucleic acids, especially when non-canonical structures and nucleic acid complexes are considered. Here, we present an ab initio approach for predicting proton chemical shifts of arbitrary nucleic acid structures based on state-of-the-art fragment-based quantum chemical calculations. We tested our prediction method on a diverse set of nucleic acid structures including double-stranded DNA, hairpins, DNA/protein complexes and chemically-modified DNA. Overall, our quantum chemical calculations yield highly/very accurate predictions with mean absolute deviations of 0.3–0.6 ppm and correlation coefficients ( r 2 ) usually above 0.9. This will allow for identifying misassignments and validating 3D structures. Furthermore, our calculations reveal that chemical shifts of protons involved in hydrogen bonding are predicted significantly less accurately. This is in part caused by insufficient inclusion of solvation effects. However, it also points toward shortcomings of current force fields used for structure determination of nucleic acids. Our quantum chemical calculations could therefore provide input for force field optimization.
    Keywords: Nucleic acid structure, Protein-nucleic acid interaction
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  • 70
    Publication Date: 2014-12-17
    Description: Bicyclic oxazaphospholidine monomers were used to prepare a series of phosphorothioate (PS)-modified gapmer antisense oligonucleotides (ASOs) with control of the chirality of each of the PS linkages within the 10-base gap. The stereoselectivity was determined to be 98% for each coupling. The objective of this work was to study how PS chirality influences biophysical and biological properties of the ASO including binding affinity ( T m ), nuclease stability, activity in vitro and in vivo , RNase H activation and cleavage patterns (both human and E. coli ) in a gapmer context. Compounds that had nine or more Sp-linkages in the gap were found to be poorly active in vitro , while compounds with uniform Rp-gaps exhibited activity very similar to that of the stereo-random parent ASOs. Conversely, when tested in vivo , the full Rp-gap compound was found to be quickly metabolized resulting in low activity. A total of 31 ASOs were prepared with control of the PS chirally of each linkage within the gap in an attempt to identify favorable Rp/Sp positions. We conclude that a mix of Rp and Sp is required to achieve a balance between good activity and nuclease stability.
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  • 71
    Publication Date: 2014-12-17
    Description: In an isogenic cell population, phenotypic heterogeneity among individual cells is common and critical for survival of the population under different environment conditions. DNA modification is an important epigenetic factor that can regulate phenotypic heterogeneity. The single molecule real-time (SMRT) sequencing technology provides a unique platform for detecting a wide range of DNA modifications, including N6-methyladenine (6-mA), N4-methylcytosine (4-mC) and 5-methylcytosine (5-mC). Here we present qDNAmod, a novel bioinformatic tool for genome-wide quantitative profiling of intercellular heterogeneity of DNA modification from SMRT sequencing data. It is capable of estimating proportion of isogenic haploid cells, in which the same loci of the genome are differentially modified. We tested the reliability of qDNAmod with the SMRT sequencing data of Streptococcus pneumoniae strain ST556. qDNAmod detected extensive intercellular heterogeneity of DNA methylation (6-mA) in a clonal population of ST556. Subsequent biochemical analyses revealed that the recognition sequences of two type I restriction–modification (R-M) systems are responsible for the intercellular heterogeneity of DNA methylation initially identified by qDNAmod. qDNAmod thus represents a valuable tool for studying intercellular phenotypic heterogeneity from genome-wide DNA modification.
    Keywords: Nucleic acid modification, Computational Methods
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  • 72
    Publication Date: 2014-12-17
    Description: Combinatorial transcription factor (TF) binding is essential for cell-type-specific gene regulation. However, much remains to be learned about the mechanisms of TF interactions, including to what extent constrained spacing and orientation of interacting TFs are critical for regulatory element activity. To examine the relative prevalence of the ‘enhanceosome’ versus the ‘TF collective’ model of combinatorial TF binding, a comprehensive analysis of TF binding site sequences in large scale datasets is necessary. We developed a motif-pair discovery pipeline to identify motif co-occurrences with preferential distance(s) between motifs in TF-bound regions. Utilizing a compendium of 289 mouse haematopoietic TF ChIP-seq datasets, we demonstrate that haematopoietic-related motif-pairs commonly occur with highly conserved constrained spacing and orientation between motifs. Furthermore, motif clustering revealed specific associations for both heterotypic and homotypic motif-pairs with particular haematopoietic cell types. We also showed that disrupting the spacing between motif-pairs significantly affects transcriptional activity in a well-known motif-pair—E-box and GATA, and in two previously unknown motif-pairs with constrained spacing—Ets and Homeobox as well as Ets and E-box. In this study, we provide evidence for widespread sequence-specific TF pair interaction with DNA that conforms to the ‘enhanceosome’ model, and furthermore identify associations between specific haematopoietic cell-types and motif-pairs.
    Keywords: Computational Methods
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  • 73
    Publication Date: 2014-12-17
    Description: In silico tools have been developed to predict variants that may have an impact on pre-mRNA splicing. The major limitation of the application of these tools to basic research and clinical practice is the difficulty in interpreting the output. Most tools only predict potential splice sites given a DNA sequence without measuring splicing signal changes caused by a variant. Another limitation is the lack of large-scale evaluation studies of these tools. We compared eight in silico tools on 2959 single nucleotide variants within splicing consensus regions (scSNVs) using receiver operating characteristic analysis. The Position Weight Matrix model and MaxEntScan outperformed other methods. Two ensemble learning methods, adaptive boosting and random forests, were used to construct models that take advantage of individual methods. Both models further improved prediction, with outputs of directly interpretable prediction scores. We applied our ensemble scores to scSNVs from the Catalogue of Somatic Mutations in Cancer database. Analysis showed that predicted splice-altering scSNVs are enriched in recurrent scSNVs and known cancer genes. We pre-computed our ensemble scores for all potential scSNVs across the human genome, providing a whole genome level resource for identifying splice-altering scSNVs discovered from large-scale sequencing studies.
    Keywords: RNA characterisation and manipulation, Computational Methods
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  • 74
    Publication Date: 2014-12-17
    Description: In mammals, RNA interference is primarily a post-transcriptional mechanism. Evidence has accumulated for additional role in transcriptional gene silencing (TGS) but the question for a good paradigm for small interfering antigene RNA (agRNA)-induced chromatin modification remains unanswered. Here, we show that SETDB1, a histone H3-lysine 9 (H3K9)-specific methyltransferase, cooperates with Argonaute-2 (AGO2) and plays an essential role in agRNA-induced TGS. The androgen receptor ( AR ) gene was transcriptionally silenced by agRNA targeted to its promoter, and we show that this repression was mitigated by knockdown of SETDB1 or AGO2 . Chromatin immunoprecipitation demonstrated that agRNA-driven AGO2 was first targeted to the AR promoter, followed by SETDB1. SIN3A and HDAC1/2, the components of the SIN3-HDAC complex, immunoprecipitated with SETDB1, and localized at the agRNA-targeted promoter. Agreeing with the presence of SETDB1, trimethyl-H3K9 was enriched in the AR promoter. Both EZH2 and trimethyl-H3K27 were also present in the targeted locus; accordingly, EZH2 immunoprecipitated with SETDB1. DNA methylation level was not significantly changed, suggesting the absence of de novo methylating activity in agRNA-induced AR promoter. Our results demonstrate that SETDB1, together with AGO2, plays an essential role in TGS through recruiting chromatin remodeler and/or other modifiers, consequently creating a repressive chromatin milieu at the targeted promoter.
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  • 75
    Publication Date: 2014-12-17
    Description: LEF/TCFs direct the final step in Wnt/β-catenin signalling by recruiting β-catenin to genes for activation of transcription. Ancient, non-vertebrate TCFs contain two DNA binding domains, a High Mobility Group box for recognition of the Wnt Response Element (WRE; 5'-CTTTGWWS-3') and the C-clamp domain for recognition of the GC-rich Helper motif (5'-RCCGCC-3'). Two vertebrate TCFs (TCF-1/TCF7 and TCF-4/TCF7L2) use the C-clamp as an alternatively spliced domain to regulate cell-cycle progression, but how the C-clamp influences TCF binding and activity genome-wide is not known. Here, we used a doxycycline inducible system with ChIP-seq to assess how the C-clamp influences human TCF1 binding genome-wide. Metabolic pulse-labeling of nascent RNA with 4'Thiouridine was used with RNA-seq to connect binding to the Wnt transcriptome. We find that the C-clamp enables targeting to a greater number of gene loci for stronger occupancy and transcription regulation. The C-clamp uses Helper sites concurrently with WREs for gene targeting, but it also targets TCF1 to sites that do not have readily identifiable canonical WREs. The coupled ChIP-seq/4'Thiouridine-seq analysis identified new Wnt target genes, including additional regulators of cell proliferation. Thus, C-clamp containing isoforms of TCFs are potent transcriptional regulators with an expanded transcriptome directed by C-clamp-Helper site interactions.
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  • 76
    Publication Date: 2014-12-17
    Description: Chromatin modifiers and histone modifications are components of a chromatin-signaling network involved in transcription and its regulation. The interactions between chromatin modifiers and histone modifications are often unknown, are based on the analysis of few genes or are studied in vitro . Here, we apply computational methods to recover interactions between chromatin modifiers and histone modifications from genome-wide ChIP-Seq data. These interactions provide a high-confidence backbone of the chromatin-signaling network. Many recovered interactions have literature support; others provide hypotheses about yet unknown interactions. We experimentally verified two of these predicted interactions, leading to a link between H4K20me1 and members of the Polycomb Repressive Complexes 1 and 2. Our results suggest that our computationally derived interactions are likely to lead to novel biological insights required to establish the connectivity of the chromatin-signaling network involved in transcription and its regulation.
    Keywords: Genomics
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  • 77
    Publication Date: 2014-12-17
    Description: As the biomedical impact of small RNAs grows, so does the need to understand competing structural alternatives for regions of functional interest. Suboptimal structure analysis provides significantly more RNA base pairing information than a single minimum free energy prediction. Yet computational enhancements like Boltzmann sampling have not been fully adopted by experimentalists since identifying meaningful patterns in this data can be challenging. Profiling is a novel approach to mining RNA suboptimal structure data which makes the power of ensemble-based analysis accessible in a stable and reliable way. Balancing abstraction and specificity, profiling identifies significant combinations of base pairs which dominate low-energy RNA secondary structures. By design, critical similarities and differences are highlighted, yielding crucial information for molecular biologists. The code is freely available via http://gtfold.sourceforge.net/profiling.html .
    Keywords: Nucleic acid structure, Computational Methods
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  • 78
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    Oxford University Press
    Publication Date: 2014-12-17
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  • 79
    Publication Date: 2014-12-17
    Description: The stress-sensitive restriction-modification (RM) system CglI from Corynebacterium glutamicum and the homologous NgoAVII RM system from Neisseria gonorrhoeae FA1090 are composed of three genes: a DNA methyltransferase (M.CglI and M.NgoAVII), a putative restriction endonuclease (R.CglI and R.NgoAVII, or R-proteins) and a predicted DEAD-family helicase/ATPase (N.CglI and N.NgoAVII or N-proteins). Here we report a biochemical characterization of the R- and N-proteins. Size-exclusion chromatography and SAXS experiments reveal that the isolated R.CglI, R.NgoAVII and N.CglI proteins form homodimers, while N.NgoAVII is a monomer in solution. Moreover, the R.CglI and N.CglI proteins assemble in a complex with R 2 N 2 stoichiometry. Next, we show that N-proteins have ATPase activity that is dependent on double-stranded DNA and is stimulated by the R-proteins. Functional ATPase activity and extensive ATP hydrolysis (~170 ATP/s/monomer) are required for site-specific DNA cleavage by R-proteins. We show that ATP-dependent DNA cleavage by R-proteins occurs at fixed positions (6–7 nucleotides) downstream of the asymmetric recognition sequence 5'-GCCGC-3'. Despite similarities to both Type I and II restriction endonucleases, the CglI and NgoAVII enzymes may employ a unique catalytic mechanism for DNA cleavage.
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  • 80
    Publication Date: 2014-12-17
    Description: Emerging evidence points to roles for tRNA modifications and tRNA abundance in cellular stress responses. While isolated instances of stress-induced tRNA degradation have been reported, we sought to assess the effects of stress on tRNA levels at a systems level. To this end, we developed a next-generation sequencing method that exploits the paucity of ribonucleoside modifications at the 3'-end of tRNAs to quantify changes in all cellular tRNA molecules. Application of this tRNA-seq method to Saccharomyces cerevisiae identified all 76 expressed unique tRNA species out of 295 coded in the yeast genome, including all isoacceptor variants, with highly precise relative (fold-change) quantification of tRNAs. In studies of stress-induced changes in tRNA levels, we found that oxidation (H 2 O 2 ) and alkylation (methylmethane sulfonate, MMS) stresses induced nearly identical patterns of up- and down-regulation for 58 tRNAs. However, 18 tRNAs showed opposing changes for the stresses, which parallels our observation of signature reprogramming of tRNA modifications caused by H 2 O 2 and MMS. Further, stress-induced degradation was limited to only a small proportion of a few tRNA species. With tRNA-seq applicable to any organism, these results suggest that translational control of stress response involves a contribution from tRNA abundance.
    Keywords: Nucleic acid modification, Transcriptome Mapping - Monitoring Gene Expression
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  • 81
    Publication Date: 2014-12-17
    Description: During meiosis programmed DNA double-strand breaks (DSBs) are repaired by homologous recombination using the sister chromatid or the homologous chromosome (homolog) as a template. This repair results in crossover (CO) and non-crossover (NCO) recombinants. Only CO formation between homologs provides the physical linkages guiding correct chromosome segregation, which are essential to produce healthy gametes. The factors that determine the CO/NCO decision are still poorly understood. Using Schizosaccharomyces pombe as a model we show that the Rad51/Dmc1-paralog complexes Rad55-Rad57 and Rdl1-Rlp1-Sws1 together with Swi5-Sfr1 play a major role in antagonizing both the FANCM-family DNA helicase/translocase Fml1 and the RecQ-type DNA helicase Rqh1 to limit hybrid DNA formation and promote Mus81-Eme1-dependent COs. A common attribute of these protein complexes is an ability to stabilize the Rad51/Dmc1 nucleoprotein filament, and we propose that it is this property that imposes constraints on which enzymes gain access to the recombination intermediate, thereby controlling the manner in which it is processed and resolved.
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  • 82
    Publication Date: 2014-12-17
    Description: To study target sequence specificity, selectivity, and reaction kinetics of Streptococcus pyogenes Cas9 activity, we challenged libraries of random variant targets with purified Cas9::guide RNA complexes in vitro . Cleavage kinetics were nonlinear, with a burst of initial activity followed by slower sustained cleavage. Consistent with other recent analyses of Cas9 sequence specificity, we observe considerable (albeit incomplete) impairment of cleavage for targets mutated in the PAM sequence or in ‘seed’ sequences matching the proximal 8 bp of the guide. A second target region requiring close homology was located at the other end of the guide::target duplex (positions 13–18 relative to the PAM). Sequences flanking the guide+PAM region had measurable (albeit modest) effects on cleavage. In addition, the first-base Guanine constraint commonly imposed by gRNA expression systems has little effect on overall cleavage efficiency. Taken together, these studies provide an in vitro understanding of the complexities of Cas9–gRNA interaction and cleavage beyond the general paradigm of site determination based on the ‘seed’ sequence and PAM.
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  • 83
    Publication Date: 2014-12-17
    Description: Transcripts possessing a 5'-triphosphate are a hallmark of viral transcription and can trigger the host antiviral response. 5'-triphosphates are also found on common host transcripts transcribed by RNA polymerase III (RNAP III), yet how these transcripts remain non-immunostimulatory is incompletely understood. Most microRNAs (miRNAs) are 5'-monophosphorylated as a result of sequential endonucleolytic processing by Drosha and Dicer from longer RNA polymerase II (RNAP II)-transcribed primary transcripts. In contrast, bovine leukemia virus (BLV) expresses subgenomic RNAP III transcripts that give rise to miRNAs independent of Drosha processing. Here, we demonstrate that each BLV pre-miRNA is directly transcribed by RNAP III from individual, compact RNAP III type II genes. Thus, similar to manmade RNAP III-generated short hairpin RNAs (shRNAs), the BLV pre-miRNAs are initially 5'-triphosphorylated. Nonetheless, the derivative 5p miRNAs and shRNA-generated 5p small RNAs (sRNAs) possess a 5'-monophosphate. Our enzymatic characterization and small RNA sequencing data demonstrate that BLV 5p miRNAs are co-terminal with 5'-triphosphorylated miRNA precursors (pre-miRNAs). Thus, these results identify a 5'-tri-phosphatase activity that is involved in the biogenesis of BLV miRNAs and shRNA-generated sRNAs. This work advances our understanding of retroviral miRNA and shRNA biogenesis and may have implications regarding the immunostimulatory capacity of RNAP III transcripts.
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  • 84
    Publication Date: 2014-12-17
    Description: Within the field of synthetic biology, a rational design of genetic parts should include a causal understanding of their input-output responses—the so-called transfer function—and how to tune them. However, a commonly adopted strategy is to fit data to Hill-shaped curves without considering the underlying molecular mechanisms. Here we provide a novel mathematical formalization that allows prediction of the global behavior of a synthetic device by considering the actual information from the involved biological parts. This is achieved by adopting an enzymology-like framework, where transfer functions are described in terms of their input affinity constant and maximal response. As a proof of concept, we characterize a set of Lux homoserine-lactone-inducible genetic devices with different levels of Lux receptor and signal molecule. Our model fits the experimental results and predicts the impact of the receptor's ribosome-binding site strength, as a tunable parameter that affects gene expression. The evolutionary implications are outlined.
    Keywords: Synthetic Biology and Assembly Cloning, Computational Methods
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  • 85
    Publication Date: 2014-12-17
    Description: The restriction endonuclease (REase) NgoAVII is composed of two proteins, R.NgoAVII and N.NgoAVII, and shares features of both Type II restriction enzymes and Type I/III ATP-dependent restriction enzymes (see accompanying paper Zaremba et al. , 2014). Here we present crystal structures of the R.NgoAVII apo-protein and the R.NgoAVII C-terminal domain bound to a specific DNA. R.NgoAVII is composed of two domains: an N-terminal nucleolytic PLD domain; and a C-terminal B3-like DNA-binding domain identified previously in BfiI and EcoRII REases, and in plant transcription factors. Structural comparison of the B3-like domains of R.NgoAVII, EcoRII, BfiI and the plant transcription factors revealed a conserved DNA-binding surface comprised of N- and C-arms that together grip the DNA. The C-arms of R.NgoAVII, EcoRII, BfiI and plant B3 domains are similar in size, but the R.NgoAVII N-arm which makes the majority of the contacts to the target site is much longer. The overall structures of R.NgoAVII and BfiI are similar; however, whilst BfiI has stand-alone catalytic activity, R.NgoAVII requires an auxiliary cognate N.NgoAVII protein and ATP hydrolysis in order to cleave DNA at the target site. The structures we present will help formulate future experiments to explore the molecular mechanisms of intersubunit crosstalk that control DNA cleavage by R.NgoAVII and related endonucleases.
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  • 86
    Publication Date: 2014-12-17
    Description: Distinct translational initiation mechanisms between prokaryotes and eukaryotes limit the exploitation of prokaryotic riboswitch repertoire for regulatory RNA circuit construction in mammalian application. Here, we explored programmed ribosomal frameshifting (PRF) as the regulatory gene expression platform for engineered ligand-responsive RNA devices in higher eukaryotes. Regulation was enabled by designed ligand-dependent conformational rearrangements of the two cis-acting RNA motifs of opposite activity in -1 PRF. Particularly, RNA elements responsive to trans-acting ligands can be tailored to modify co-translational RNA refolding dynamics of a hairpin upstream of frameshifting site to achieve reversible and adjustable -1 PRF attenuating activity. Combined with a ligand-responsive stimulator, synthetic RNA devices for synergetic translational-elongation control of gene expression can be constructed. Due to the similarity between co-transcriptional RNA hairpin folding and co-translational RNA hairpin refolding, the RNA-responsive ligand repertoire provided in prokaryotic systems thus becomes accessible to gene-regulatory circuit construction for synthetic biology application in mammalian cells.
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  • 87
    Publication Date: 2014-12-17
    Description: Cutaneous photosensitization is a common side effect of drug treatment and can be associated with an increased skin cancer risk. The immunosuppressant azathioprine, the fluoroquinolone antibiotics and vemurafenib—a BRAF inhibitor used to treat metastatic melanoma—are all recognized clinical photosensitizers. We have compared the effects of UVA radiation on cultured human cells treated with 6-thioguanine (6-TG, a DNA-embedded azathioprine surrogate), the fluoroquinolones ciprofloxacin and ofloxacin and vemurafenib. Despite widely different structures and modes of action, each of these drugs potentiated UVA cytotoxicity. UVA photoactivation of 6-TG, ciprofloxacin and ofloxacin was associated with the generation of singlet oxygen that caused extensive protein oxidation. In particular, these treatments were associated with damage to DNA repair proteins that reduced the efficiency of nucleotide excision repair. Although vemurafenib was also highly phototoxic to cultured cells, its effects were less dependent on singlet oxygen. Highly toxic combinations of vemurafenib and UVA caused little protein carbonylation but were nevertheless inhibitory to nucleotide excision repair. Thus, for three different classes of drugs, photosensitization by at least two distinct mechanisms is associated with reduced protection against potentially mutagenic and carcinogenic DNA damage.
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  • 88
    Publication Date: 2014-12-17
    Description: The first level of genome packaging in eukaryotic cells involves the formation of dense nucleosome arrays, with DNA coverage near 90% in yeasts. How cells achieve such high coverage within a short time, e.g. after DNA replication, remains poorly understood. It is known that random sequential adsorption of impenetrable particles on a line reaches high density extremely slowly, due to a jamming phenomenon. The nucleosome-shifting action of remodeling enzymes has been proposed as a mechanism to resolve such jams. Here, we suggest two biophysical mechanisms which assist rapid filling of DNA with nucleosomes, and we quantitatively characterize these mechanisms within mathematical models. First, we show that the ‘softness’ of nucleosomes, due to nucleosome breathing and stepwise nucleosome assembly, significantly alters the filling behavior, speeding up the process relative to ‘hard’ particles with fixed, mutually exclusive DNA footprints. Second, we explore model scenarios in which the progression of the replication fork could eliminate nucleosome jamming, either by rapid filling in its wake or via memory of the parental nucleosome positions. Taken together, our results suggest that biophysical effects promote rapid nucleosome filling, making the reassembly of densely packed nucleosomes after DNA replication a simpler task for cells than was previously thought.
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  • 89
    Publication Date: 2014-12-17
    Description: Abasic (AP) lesions are the most frequent type of damages occurring in cellular DNA. Here we describe the conformational effects of AP sites substituted for 2'-deoxyadenosine in the first ( ap7 ), second ( ap13 ) or third ( ap19 ) loop of the quadruplex formed in K + by the human telomere DNA 5'-d[AG 3 (TTAG 3 ) 3 ]. CD spectra and electrophoresis reveal that the presence of AP sites does not hinder the formation of intramolecular quadruplexes. NMR spectra show that the structural heterogeneity is substantially reduced in ap7 and ap19 as compared to that in the wild-type. These two ( ap7 and ap19 ) sequences are shown to adopt the hybrid-1 and hybrid-2 quadruplex topology, respectively, with AP site located in a propeller-like loop. All three studied sequences transform easily into parallel quadruplex in dehydrating ethanol solution. Thus, the AP site in any loop region facilitates the formation of the propeller loop. Substitution of all adenines by AP sites stabilizes the parallel quadruplex even in the absence of ethanol. Whereas guanines are the major determinants of quadruplex stability, the presence or absence of loop adenines substantially influences quadruplex folding. The naturally occurring adenine-lacking sites in the human telomere DNA can change the quadruplex topology in vivo with potentially vital biological consequences.
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  • 90
    Publication Date: 2014-12-17
    Description: The DNA sequence preferences of nearly all sequence specific DNA binding proteins are influenced by the identities of bases that are not directly contacted by protein. Discrimination between non-contacted base sequences is commonly based on the differential abilities of DNA sequences to allow narrowing of the DNA minor groove. However, the factors that govern the propensity of minor groove narrowing are not completely understood. Here we show that the differential abilities of various DNA sequences to support formation of a highly ordered and stable minor groove solvation network are a key determinant of non-contacted base recognition by a sequence-specific binding protein. In addition, disrupting the solvent network in the non-contacted region of the binding site alters the protein's ability to recognize contacted base sequences at positions 5–6 bases away. This observation suggests that DNA solvent interactions link contacted and non-contacted base recognition by the protein.
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  • 91
    Publication Date: 2014-12-17
    Description: We give a bordism-theoretic characterization of those closed almost contact $(2q{+ }1)$ -manifolds (with $q\geq 2$ ) that admit a Stein fillable contact structure. Our method is to apply Eliashberg's $h$ -principle for Stein manifolds in the setting of Kreck's modified surgery. As an application, we show that any simply connected almost contact 7-manifold with torsion-free second homotopy group is Stein fillable. We also discuss the Stein fillability of exotic spheres and examine subcritical Stein fillability.
    Print ISSN: 0024-6115
    Electronic ISSN: 1460-244X
    Topics: Mathematics
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  • 92
    Publication Date: 2014-12-17
    Description: Casson-type invariants emerging from Donaldson theory over certain negative-definite four-manifolds were recently suggested by Teleman. These are defined by an algebraic count of points in a zero-dimensional moduli space of flat instantons. Motivated by the cobordism programme of proving Witten's conjecture, we use a moduli space of ${\rm PU}(2)$ Seiberg–Witten monopoles to exhibit an oriented one-dimensional cobordism of the instanton moduli space to the empty space. The Casson-type invariant must therefore vanish.
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  • 93
    Publication Date: 2014-12-17
    Description: The dynamical and stationary behaviors of a fourth-order equation in the unit ball with clamped boundary conditions and a singular reaction term are investigated. The equation arises in the modeling of microelectromechanical systems and includes a positive voltage parameter $\lambda$ . It is shown that there is a threshold value $\lambda _* 〉 0$ of the voltage parameter such that no radially symmetric stationary solution exists for $\lambda 〉 \lambda _* $ , while at least two such solutions exist for $\lambda \in (0,\lambda _* )$ . Local and global well-posedness results are obtained for the corresponding hyperbolic and parabolic evolution problems as well as the occurrence of finite time singularities when $\lambda 〉 \lambda _* $ .
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  • 94
    Publication Date: 2014-12-18
    Description: In a recent article, Serov et al. [J. Appl. Phys. 116 , 034507 (2014)] claim: “This study represents the first time that the high-field behavior in graphene on a substrate was investigated taking into account intrinsic graphene properties,” ignoring the most recent anisotropic distribution function [V. K. Arora et al ., J. Appl. Phys. 112 , 114330 (2012)] also published in J. Appl. Phys., targeting the same experimental data [V. E. Dorgan et al. , Appl. Phys. Lett. 97 , 082112 (2010)]. The claim of Serov et al. of being first is refuted and many shortcomings of the hydrodynamic model for a highly quantum and degenerate graphene nanolayer are pointed out.
    Print ISSN: 0021-8979
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  • 95
    Publication Date: 2014-12-18
    Description: Fe thin films were deposited on sodium chloride (NaCl) substrates using magnetron sputtering to investigate means of texture control in free standing metal films. The Fe thin films were studied using transmission electron microscopy equipped with automated crystallographic orientation microscopy. Using this technique, the microstructure of each film was characterized in order to elucidate the effects of altering deposition parameters. The natural tendency for Fe films grown on (100) NaCl is to form a randomly oriented nanocrystalline microstructure. By careful selection of substrate and deposition conditions, it is possible to drive the texture of the film toward a single (100) orientation while retaining the nanocrystalline microstructure.
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  • 96
    Publication Date: 2014-12-18
    Description: The current paper reports successful syntheses of Ni–TiN composite coatings by pulse electrodeposition. The effect of pulse frequency on the microstructures, nanomechanical, and wear properties of the coatings was investigated using transmission electron microscopy, X–ray diffraction, nanoindenter, scanning electron microscopy, and wear test instrument. The results showed that the Ni–TiN composite coating prepared at the pulse frequency of 100 Hz showed the presence of a less number of TiN particles and some degrees of aggregation in micro-regions. By contrast, in the Ni–TiN coating deposited at the pulse frequency of 500 Hz, the TiN particles were large in number and dispersed homogeneously, thereby, offering the coating a uniform and fine structure. The average grain diameters of Ni and TiN in the coating prepared at 100 Hz were 154.7 and 44.8 nm, respectively, whereas those for the coating prepared at 500 Hz were 67.3 and 25.9 nm, respectively. The maximum TiN content in the Ni-TiN coating deposited at 800 Hz was approximately 10.5 wt. %. The maximum microhardness and the Young's modulus values for the Ni–TiN composite coatings deposited at 800 Hz were 35.7 GPa and 167.4 GPa, respectively. Furthermore, the Ni–TiN composite coating prepared at 100 Hz had more severe damages, whereas the morphologies of worn surface of the coatings deposited at 500 Hz and 800 Hz were smooth and only a few small pits appeared on the surface.
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  • 97
    Publication Date: 2014-12-18
    Description: Excited states and the ground state of the diatomic molecule RbSr were calculated by post Hartree-Fock molecular orbital theory up to 22 000 cm −1 . We applied a multireference configuration interaction calculation based on multiconfigurational self-consistent field wave functions. Both methods made use of effective core potentials and core polarization potentials. Potential energy curves, transition dipole moments, and permanent electric dipole moments were determined for RbSr and could be compared with other recent calculations. We found a good agreement with experimental spectra, which have been obtained recently by helium nanodroplet isolation spectroscopy. For the lowest two asymptotes (Rb (5 s 2 S) + Sr (5 s 4 d 3 P°) and Rb (5 p 2 P°) + Sr (5 s 2 1 S)), which exhibit a significant spin-orbit coupling, we included relativistic effects by two approaches, one applying the Breit-Pauli Hamiltonian to the multireference configuration interaction wave functions, the other combining a spin-orbit Hamiltonian and multireference configuration interaction potential energy curves. Using the results for the relativistic potential energy curves that correspond to the Rb (5 s 2 S) + Sr (5 s 4 d 3 P°) asymptote, we have simulated dispersed fluorescence spectra as they were recently measured in our lab. The comparison with experimental data allows to benchmark both methods and demonstrate that spin-orbit coupling has to be included for the lowest states of RbSr.
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  • 98
    Publication Date: 2014-12-18
    Description: Ozonolysis of alkenes, a principle non-photolytic source of atmospheric OH radicals, proceeds through unimolecular decay of energized carbonyl oxide intermediates, known as Criegee intermediates. In this work, cold dimethyl-substituted Criegee intermediates are vibrationally activated in the CH stretch overtone region to drive the 1,4 hydrogen transfer reaction that leads to OH radical products. IR excitation of (CH 3 ) 2 COO reveals the vibrational states with sufficient oscillator strength, coupling to the reaction coordinate, and energy to surmount the effective barrier (≤ 16.0 kcal mol −1 ) to reaction. Insight on the dissociation dynamics is gleaned from homogeneous broadening of the spectral features, indicative of rapid intramolecular vibrational energy redistribution and/or reaction, as well as the quantum state distribution of the OH X 2 Π (v = 0) products. The experimental results are compared with complementary electronic structure calculations, which provide the IR absorption spectrum and geometric changes along the intrinsic reaction coordinate. Additional theoretical analysis reveals the vibrational modes and couplings that permit (CH 3 ) 2 COO to access to the transition state region for reaction. The experimental and theoretical results are compared with an analogous recent study of the IR activation of syn -CH 3 CHOO and its unimolecular decay to OH products [F. Liu, J. M. Beames, A. S. Petit, A. B. McCoy, and M. I. Lester, Science345, 1596 (2014)].
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  • 99
    Publication Date: 2014-12-18
    Description: In the present work, the structural and dynamic properties of liquid and undercooled boron are investigated by means of ab initio molecular dynamics simulation. Our results show that both liquid and undercooled states present a well pronounced short-range order (SRO) mainly due to the formation of inverted umbrella structural units. Moreover, we observe the development of a medium-range order (MRO) in the undercooling regime related to the increase of inverted umbrella structural units and of their interconnection as the temperature decreases. We also evidence that this MRO leads to a partial crystallization in the β-rhombohedral crystal below T = 1900 K. Finally, we discuss the role played by the SRO and MRO in the nearly Arrhenius evolution of the diffusion and the non-Arrhenius temperature dependence of the shear viscosity, in agreement with the experiment.
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  • 100
    Publication Date: 2014-12-18
    Description: The properties of dipolar cubic lattices are studied and the paradox of how to obtain a long range polarization in such lattices is resolved by choosing a proper shape of the total system. It has been shown that large but finite number of aligned dipoles prefer to exist as needle shaped macroscopic particles [M. Yoon and D. Tománek, J. Phys.: Condens. Matter22, 455105 (2010)]. The total energy for a particle in such a system has one short range contribution depending on the packing (the chosen lattice) and one long range term depending on the dipole density of the system. We show that the latter term corresponds exactly to the polarization term from a dielectric medium embedding a sphere of the considered system. There is no need to include a dielectric medium in this modeling and the “dielectric stabilization” is generated solely by the dipoles of the system.
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