The Joint European Compound Library:boosting precompetitive research

The Joint European Compound Library (JECL) is a new high-throughput screening collection aimed at driving precompetitive drug discovery and target validation. The JECL has been established with a core of over 321000 compounds from the proprietary collections of seven pharmaceutical companies and will expand to around 500000 compounds. Here, we analyse the physicochemical profile and chemical diversity of the core collection, showing that the collection is diverse and has a broad spectrum of predicted biological activity. We also describe a model for sharing compound information from multiple proprietary collections, enabling diversity and quality analysis without disclosing structures. The JECL is available for screening at no cost to European academic laboratories and SMEs through the IMI European Lead Factory (http://www.europeanleadfactory.eu/)

Galaxy Star Formation as a Function of Environment in the Early Data Release of the Sloan Digital Sky Survey

We present in this paper a detailed analysis of the effect of environment on the star formation activity of galaxies within the Early Data Release (EDR) of the Sloan Digital Sky Survey (SDSS). We have used the Halpha emission line to derive the star formation rate (SFR) for each galaxy within a volume-limited sample of 8598 galaxies with 0.05 less than or equal to z less than or equal to 0.095 and M (r*) less than or equal to 20.45. We find that the SFR of galaxies is strongly correlated with the local ( projected) galaxy density, and thus we present here a density-SFR relation that is analogous to the density-morphology relation. The effect of density on the SFR of galaxies is seen in three ways. First, the overall distribution of SFRs is shifted to lower values in dense environments compared with the field population. Second, the effect is most noticeable for the strongly star-forming galaxies (Halpha EW > 5 Angstrom) in the 75th percentile of the SFR distribution. Third, there is a break ( or characteristic density) in the density-SFR relation at a local galaxy density of similar to1 h(75)(-2) Mpc(-2). To understand this break further, we have studied the SFR of galaxies as a function of clustercentric radius from 17 clusters and groups objectively selected from the SDSS EDR data. The distribution of SFRs of cluster galaxies begins to change, compared with the field population, at a clustercentric radius of 3-4 virial radii (at the >1sigma statistical significance), which is consistent with the characteristic break in density that we observe in the density-SFR relation. This effect with clustercentric radius is again most noticeable for the most strongly star-forming galaxies. Our tests suggest that the density-morphology relation alone is unlikely to explain the density-SFR relation we observe. For example, we have used the ( inverse) concentration index of SDSS galaxies to classify late-type galaxies and show that the distribution of the star-forming (EW Halpha > 5Angstrom) late-type galaxies is different in dense regions ( within 2 virial radii) compared with similar galaxies in the field. However, at present, we are unable to make definitive statements about the independence of the density-morphology and density-SFR relation. We have tested our work against potential systematic uncertainties including stellar absorption, reddening, SDSS survey strategy, SDSS analysis pipelines, and aperture bias. Our observations are in qualitative agreement with recent simulations of hierarchical galaxy formation that predict a decrease in the SFR of galaxies within the virial radius. Our results are in agreement with recent 2dF Galaxy Redshift Survey results as well as consistent with previous observations of a decrease in the SFR of galaxies in the cores of distant clusters. Taken together, these works demonstrate that the decrease in SFR of galaxies in dense environments is a universal phenomenon over a wide range in density (from 0.08 to 10 h(75)(-2) Mpc(-2)) and redshift (out to z similar or equal to 0.5)

An Ontology for Description of Drug Discovery Investigations

SummaryThe paper presents an ontology for the description of Drug Discovery Investigation (DDI). This has been developed through the use of a Robot Scientist “Eve”, and in consultation with industry. DDI aims to define the principle entities and the relations in the research and development phase of the drug discovery pipeline. DDI is highly transferable and extendable due to its adherence to accepted standards, and compliance with existing ontology resources. This enables DDI to be integrated with such related ontologies as the Vaccine Ontology, the Advancing Clinico-Genomic Trials on Cancer Master Ontology, etc. DDI is available at http://purl.org/ddi/wikipedia or http://purl.org/ddi/home</jats:p

Telavancin for hospital-acquired pneumonia: Clinical response and 28-day survival

U.S. Food and Drug Administration draft guidance for future antibiotic clinical trials of bacterial nosocomial pneumonia recommends the use of diagnostic criteria according to American Thoracic Society/Infectious Diseases Society of America (ATS/IDSA) guidelines and the use of a primary endpoint of 28-day all-cause mortality. The effect of applying these guidelines on outcomes of phase III nosocomial pneumonia studies of telavancin was evaluated in a post hoc analysis. ATS/IDSA criteria were applied in a blind fashion to the original all-treated (AT) group. Clinical cure rates at final follow-up were determined in the refined AT and clinically evaluable (CE) groups (ATS/IDSA-AT and ATS/IDSA-CE, respectively). The exploratory endpoint of 28-day survival was evaluated for the ATS/IDSA-AT group. Noninferiority of telavancin versus vancomycin was demonstrated, with similar cure rates in the ATS/IDSA-AT (59% versus 59%) and ATS/IDSA-CE (83% versus 80%) groups. Cure rates favored telavancin in ATS/IDSA-CE patients where Staphylococcus aureus was the sole pathogen (86% versus 75%). Overall, 28-day survival rates were similar in the telavancin (76%) and vancomycin (77%) groups but lower in telavancin-treated patients with preexisting moderate-to-severe renal impairment (creatinine clearance [CL(CR)] of <50 ml/min). Telavancin should be administered to patients with moderate-to-severe renal impairment only if treatment benefit outweighs the risk or if no suitable alternatives are available

Galaxy And Mass Assembly (GAMA) : The mechanisms for quiescent galaxy formation at z&lt;1

© 2016 The Authors. One key problem in astrophysics is understanding how and why galaxies switch off their star formation, building the quiescent population that we observe in the local Universe. From the Galaxy And Mass Assembly and VIsible MultiObject Spectrograph Public Extragalactic Redshift surveys, we use spectroscopic indices to select quiescent and candidate transition galaxies.We identify potentially rapidly transitioning post-starburst (PSB) galaxies and slower transitioning green-valley galaxies. Over the last 8Gyr, the quiescent population has grown more slowly in number density at high masses (M * > 10 11 M ⊙ ) than at intermediate masses (M * > 10 10.6 M ⊙ ). There is evolution in both the PSB and green-valley stellar mass functions, consistent with higher mass galaxies quenching at earlier cosmic times.At intermediatemasses (M * > 10 10.6 M ⊙ ), we find a green-valley transition time-scale of 2.6 Gyr. Alternatively, at z ~ 0.7, the entire growth rate could be explained by fast-quenching PSB galaxies, with a visibility time-scale of 0.5 Gyr. At lower redshift, the number density of PSBs is so low that an unphysically short visibility window would be required for them to contribute significantly to the quiescent population growth. The importance of the fast-quenching route may rapidly diminish at z 10 11 M ⊙ ), there is tension between the large number of candidate transition galaxies compared to the slow growth of the quiescent population. This could be resolved if not all high-mass PSB and green-valley galaxies are transitioning from star forming to quiescent, for example if they rejuvenate out of the quiescent population following the accretion of gas and triggering of star formation, or if they fail to completely quench their star formation

What Does Clustering Tell Us About the Buildup of the Red Sequence?

We analyze the clustering of red and blue galaxies from four samples spanning a redshift range of 0.4<z<2.0 to test the various scenarios by which galaxies evolve onto the red sequence. The data are taken from the UKIDSS Ultra Deep Survey, DEEP2, and COMBO-17. The use of clustering allows us to determine what fraction of the red sequence is made up of central galaxies and satellite galaxies. At all redshifts, including z=0, the data are consistent with ~60% of satellite galaxies being red or quenched, implying that ~1/3 of the red sequence is comprised of satellite galaxies. More than three-fourths of red satellite galaxies were moved to the red sequence after they were accreted onto a larger halo. The constant fraction of satellite galaxies that are red yields a quenching time for satellite galaxies that depends on redshift in the same way as halo dynamical times; t_Q ~ (1+z)^{-1.5}. In three of the four samples, the data favor a model in which red central galaxies are a random sample of all central galaxies; there is no preferred halo mass scale at which galaxies make the transition from star-forming to red and dead. The large errors on the fourth sample inhibit any conclusions. Theoretical models in which star formation is quenched above a critical halo mass are excluded by these data. A scenario in which mergers create red central galaxies imparts a weaker correlation between halo mass and central galaxy color, but even the merger scenario creates tension with red galaxy clustering at redshifts above 0.5. These results suggest that the mechanism by which central galaxies become red evolves from z=0.5 to z=0.Comment: 18 emulateapj pages, 13 figures. submitted to Ap

Radio Observations of the Hubble Deep Field South region: I. Survey Description and Initial Results

This paper is the first of a series describing the results of the Australia Telescope Hubble Deep Field South (ATHDFS) radio survey. The survey was conducted at four wavelengths - 20, 11, 6, and 3 cm, over a 4-year period, and achieves an rms sensitivity of about 10 microJy at each wavelength. We describe the observations and data reduction processes, and present data on radio sources close to the centre of the HDF-S. We discuss in detail the properties of a subset of these sources. The sources include both starburst galaxies and galaxies powered by an active galactic nucleus, and range in redshift from 0.1 to 2.2. Some of them are characterised by unusually high radio-to-optical luminosities, presumably caused by dust extinction.Comment: Accepted by AJ. 32 pages, 4 tables, 3 figures. PDF with full-resolution figures is on http://www.atnf.csiro.au/people/rnorris/N197.pd

Submillimeter Follow-up of WISE-Selected Hyperluminous Galaxies

We have used the Caltech Submillimeter Observatory (CSO) to follow-up a sample of WISE-selected, hyperluminous galaxies, so called W1W2-dropout galaxies. This is a rare (~ 1000 all-sky) population of galaxies at high redshift (peaks at z=2-3), that are faint or undetected by WISE at 3.4 and 4.6 um, yet are clearly detected at 12 and 22 um. The optical spectra of most of these galaxies show significant AGN activity. We observed 14 high-redshift (z > 1.7) W1W2-dropout galaxies with SHARC-II at 350 to 850 um, with 9 detections; and observed 18 with Bolocam at 1.1 mm, with five detections. Warm Spitzer follow-up of 25 targets at 3.6 and 4.5 um, as well as optical spectra of 12 targets are also presented in the paper. Combining WISE data with observations from warm Spitzer and CSO, we constructed their mid-IR to millimeter spectral energy distributions (SEDs). These SEDs have a consistent shape, showing significantly higher mid-IR to submm ratios than other galaxy templates, suggesting a hotter dust temperature. We estimate their dust temperatures to be 60-120 K using a single-temperature model. Their infrared luminosities are well over 10^{13} Lsun. These SEDs are not well fitted with existing galaxy templates, suggesting they are a new population with very high luminosity and hot dust. They are likely among the most luminous galaxies in the Universe. We argue that they are extreme cases of luminous, hot dust-obscured galaxies (DOGs), possibly representing a short evolutionary phase during galaxy merging and evolution. A better understanding of their long-wavelength properties needs ALMA as well as Herschel data.Comment: Will be Published on Sep 1, 2012 by Ap