Is the dust-to-gas ratio constant in molecular clouds?

We perform numerical simulations of dusty, supersonic turbulence in molecular clouds. We model 0.1, 1 and 10 {\mu}m sized dust grains at an initial dust-to-gas mass ratio of 1:100, solving the equations of combined gas and dust dynamics where the dust is coupled to the gas through a drag term. We show that, for 0.1 and 1 {\mu}m grains, the dust-to-gas ratio deviates by typically 10-20% from the mean, since the stopping time of the dust due to gas drag is short compared to the dynamical time. Contrary to previous findings, we find no evidence for orders of magnitude fluctuation in the dust-to-gas ratio for 0.1 {\mu}m grains. Larger, 10 {\mu}m dust grains may have dust-to-gas ratios increased by up to an order of magnitude locally. Both small (0.1 {\mu}m) and large ($\gtrsim$ 1 {\mu}m) grains trace the large-scale morphology of the gas, however we find evidence for 'size-sorting' of grains, where turbulence preferentially concentrates larger grains into dense regions. Size-sorting may help to explain observations of 'coreshine' from dark clouds, and why extinction laws differ along lines of sight through molecular clouds in the Milky Way compared to the diffuse interstellar medium.Comment: 6 pages, 4 figures, accepted for publication in MNRAS Letters, videos available at https://www.youtube.com/channel/UC7J6IDzQklFzKV3c6pBqxU

The accumulation and trapping of grains at planet gaps: effects of grain growth and fragmentation

We model the dust evolution in protoplanetary disks with full 3D, Smoothed Particle Hydrodynamics (SPH), two-phase (gas+dust) hydrodynamical simulations. The gas+dust dynamics, where aerodynamic drag leads to the vertical settling and radial migration of grains, is consistently treated. In a previous work, we characterized the spatial distribution of non-growing dust grains of different sizes in a disk containing a gap-opening planet and investigated the gap's detectability with the Atacama Large Millimeter/submillimeter Array (ALMA). Here we take into account the effects of grain growth and fragmentation and study their impact on the distribution of solids in the disk. We show that rapid grain growth in the two accumulation zones around planet gaps is strongly affected by fragmentation. We discuss the consequences for ALMA observations.Comment: Accepted for publication in Planetary and Space Science. 13 pages, 4 figure

The accumulation and trapping of grains at planet gaps: effects of grain growth and fragmentation

13 pages, 4 figures.International audienceWe model the dust evolution in protoplanetary disks with full 3D, Smoothed Particle Hydrodynamics (SPH), two-phase (gas+dust) hydrodynamical simulations. The gas+dust dynamics, where aerodynamic drag leads to the vertical settling and radial migration of grains, is consistently treated. In a previous work, we characterized the spatial distribution of non-growing dust grains of different sizes in a disk containing a gap-opening planet and investigated the gap's detectability with the Atacama Large Millimeter/submillimeter Array (ALMA). Here we take into account the effects of grain growth and fragmentation and study their impact on the distribution of solids in the disk. We show that rapid grain growth in the two accumulation zones around planet gaps is strongly affected by fragmentation. We discuss the consequences for ALMA observations

Coil conversion to β-strand induced by dimerisation

Most molecular processes in living organisms rely on protein–protein interactions, many of which are mediated by β-sheet interfaces; this study investigates the formation of β-sheet interfaces through the conversion of coils into β-strands. Following an exhaustive search in the Protein Data Bank, the corresponding structural dimorphic fragments were extracted, characterised and analysed. Their short strand lengths and specific amino acid profiles indicate that dimorphic β-strand interfaces are likely to be less stable than standard ones and could even convert to coil interfaces if their environment changes. Moreover, the construction of a simple classifier able to discriminate between the sequences of dimorphic and standard β-strand interfaces suggests that the nature of those dimorphic sequences could be predicted, providing a novel means of identifying proteins capable of forming dimers

Circumbinary, not transitional: on the spiral arms, cavity, shadows, fast radial flows, streamers, and horseshoe in the HD 142527 disc

We present 3D hydrodynamical models of the HD142527 protoplanetary disc, a bright and well-studied disc that shows spirals and shadows in scattered light around a 100 au gas cavity, a large horseshoe dust structure in mm continuum emission, together with mysterious fast radial flows and streamers seen in gas kinematics. By considering several possible orbits consistent with the observed arc, we show that all of the main observational features can be explained by one mechanism - the interaction between the disc and the observed binary companion. We find that the spirals, shadows, and horseshoe are only produced in the correct position angles by a companion on an inclined and eccentric orbit approaching periastron - the 'red' family from Lacour et al. Dust-gas simulations show radial and azimuthal concentration of dust around the cavity, consistent with the observed horseshoe. The success of this model in the HD142527 disc suggests other mm-bright transition discs showing cavities, spirals, and dust asymmetries may also be explained by the interaction with central companions

The RICORDO approach to semantic interoperability for biomedical data and models: strategy, standards and solutions.

BACKGROUND: The practice and research of medicine generates considerable quantities of data and model resources (DMRs). Although in principle biomedical resources are re-usable, in practice few can currently be shared. In particular, the clinical communities in physiology and pharmacology research, as well as medical education, (i.e. PPME communities) are facing considerable operational and technical obstacles in sharing data and models. FINDINGS: We outline the efforts of the PPME communities to achieve automated semantic interoperability for clinical resource documentation in collaboration with the RICORDO project. Current community practices in resource documentation and knowledge management are overviewed. Furthermore, requirements and improvements sought by the PPME communities to current documentation practices are discussed. The RICORDO plan and effort in creating a representational framework and associated open software toolkit for the automated management of PPME metadata resources is also described. CONCLUSIONS: RICORDO is providing the PPME community with tools to effect, share and reason over clinical resource annotations. This work is contributing to the semantic interoperability of DMRs through ontology-based annotation by (i) supporting more effective navigation and re-use of clinical DMRs, as well as (ii) sustaining interoperability operations based on the criterion of biological similarity. Operations facilitated by RICORDO will range from automated dataset matching to model merging and managing complex simulation workflows. In effect, RICORDO is contributing to community standards for resource sharing and interoperability.RIGHTS : This article is licensed under the BioMed Central licence at http://www.biomedcentral.com/about/license which is similar to the 'Creative Commons Attribution Licence'. In brief you may : copy, distribute, and display the work; make derivative works; or make commercial use of the work - under the following conditions: the original author must be given credit; for any reuse or distribution, it must be made clear to others what the license terms of this work are

Minimum Information About a Simulation Experiment (MIASE)

The original publication is available at www.ploscompbiol.orgReproducibility of experiments is a basic requirement for science. Minimum Information (MI) guidelines have proved a helpful means of enabling reuse of existing work in modern biology. The Minimum Information Required in the Annotation of Models (MIRIAM) guidelines promote the exchange and reuse of biochemical computational models. However, information about a model alone is not sufficient to enable its efficient reuse in a computational setting. Advanced numerical algorithms and complex modeling workflows used in modern computational biology make reproduction of simulations difficult. It is therefore essential to define the core information necessary to perform simulations of those models. The Minimum Information About a Simulation Experiment describes the minimal set of information that must be provided to make the description of a simulation experiment available to others. It includes the list of models to use and their modifications, all the simulation procedures to apply and in which order, the processing of the raw numerical results, and the description of the final output. MIASE allows for the reproduction of any simulation experiment. The provision of this information, along with a set of required models, guarantees that the simulation experiment represents the intention of the original authors. Following MIASE guidelines will thus improve the quality of scientific reporting, and will also allow collaborative, more distributed efforts in computational modeling and simulation of biological processes.The discussions that led to the definition of MIASE benefited from the support of a Japan Partnering Award by the UK Biotechnology and Biological Sciences Research Council. DW was supported by the Marie Curie program and by the German Research Association (DFG Research Training School ‘‘dIEM oSiRiS’’ 1387/1). This publication is based on work (EJC) supported in part by Award No KUK-C1-013-04, made by King Abdullah University of Science and Technology (KAUST). FTB acknowledges support by the NIH (grant 1R01GM081070- 01). JC is supported by the European Commission, DG Information Society, through the Seventh Framework Programme of Information and Communication Technologies, under the VPH NoE project (grant number 223920). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.Publishers versio

Tools and data services registry: a community effort to document bioinformatics resources.

Life sciences are yielding huge data sets that underpin scientific discoveries fundamental to improvement in human health, agriculture and the environment. In support of these discoveries, a plethora of databases and tools are deployed, in technically complex and diverse implementations, across a spectrum of scientific disciplines. The corpus of documentation of these resources is fragmented across the Web, with much redundancy, and has lacked a common standard of information. The outcome is that scientists must often struggle to find, understand, compare and use the best resources for the task at hand.Here we present a community-driven curation effort, supported by ELIXIR-the European infrastructure for biological information-that aspires to a comprehensive and consistent registry of information about bioinformatics resources. The sustainable upkeep of this Tools and Data Services Registry is assured by a curation effort driven by and tailored to local needs, and shared amongst a network of engaged partners.As of November 2015, the registry includes 1785 resources, with depositions from 126 individual registrations including 52 institutional providers and 74 individuals. With community support, the registry can become a standard for dissemination of information about bioinformatics resources: we welcome everyone to join us in this common endeavour. The registry is freely available at https://bio.tools

CDX2 as a Prognostic Biomarker in Stage II and Stage III Colon Cancer

BACKGROUND: The identification of high-risk stage II colon cancers is key to the selection of patients who require adjuvant treatment after surgery. Microarray-based multigene-expression signatures derived from stem cells and progenitor cells hold promise, but they are difficult to use in clinical practice. METHODS: We used a new bioinformatics approach to search for biomarkers of colon epithelial differentiation across gene-expression arrays and then ranked candidate genes according to the availability of clinical-grade diagnostic assays. With the use of subgroup analysis involving independent and retrospective cohorts of patients with stage II or stage III colon cancer, the top candidate gene was tested for its association with disease-free survival and a benefit from adjuvant chemotherapy. RESULTS: The transcription factor CDX2 ranked first in our screening test. A group of 87 of 2115 tumor samples (4.1%) lacked CDX2 expression. In the discovery data set, which included 466 patients, the rate of 5-year disease-free survival was lower among the 32 patients (6.9%) with CDX2-negative colon cancers than among the 434 (93.1%) with CDX2-positive colon cancers (hazard ratio for disease recurrence, 3.44; 95% confidence interval [CI], 1.60 to 7.38; P = 0.002). In the validation data set, which included 314 patients, the rate of 5-year disease-free survival was lower among the 38 patients (12.1%) with CDX2 protein–negative colon cancers than among the 276 (87.9%) with CDX2 protein–positive colon cancers (hazard ratio, 2.42; 95% CI, 1.36 to 4.29; P = 0.003). In both these groups, these findings were independent of the patient's age, sex, and tumor stage and grade. Among patients with stage II cancer, the difference in 5-year disease-free survival was significant both in the discovery data set (49% among 15 patients with CDX2-negative tumors vs. 87% among 191 patients with CDX2-positive tumors, P = 0.003) and in the validation data set (51% among 15 patients with CDX2-negative tumors vs. 80% among 106 patients with CDX2-positive tumors, P = 0.004). In a pooled database of all patient cohorts, the rate of 5-year disease-free survival was higher among 23 patients with stage II CDX2-negative tumors who were treated with adjuvant chemotherapy than among 25 who were not treated with adjuvant chemotherapy (91% vs. 56%, P = 0.006). CONCLUSIONS: Lack of CDX2 expression identified a subgroup of patients with high-risk stage II colon cancer who appeared to benefit from adjuvant chemotherapy. (Funded by the National Comprehensive Cancer Network, the National Institutes of Health, and others.

Phantom : a smoothed particle hydrodynamics and magnetohydrodynamics code for astrophysics

We present Phantom, a fast, parallel, modular, and low-memory smoothed particle hydrodynamics and magnetohydrodynamics code developed over the last decade for astrophysical applications in three dimensions. The code has been developed with a focus on stellar, galactic, planetary, and high energy astrophysics, and has already been used widely for studies of accretion discs and turbulence, from the birth of planets to how black holes accrete. Here we describe and test the core algorithms as well as modules for magnetohydrodynamics, self-gravity, sink particles, dust–gas mixtures, H2 chemistry, physical viscosity, external forces including numerous galactic potentials, Lense–Thirring precession, Poynting–Robertson drag, and stochastic turbulent driving. Phantom is hereby made publicly available.PostprintPeer reviewe