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At least 847 records · Page 47

Biophysical Screens Identify Fragments That Bind to the Viral DNA-Binding Proteins EBNA1 and LANA

The human gamma-herpesviruses Epstein–Barr virus (EBV) (HHV-4) and Kaposi’s sarcoma-associated herpesvirus (KSHV) (HHV-8) are responsible for a number of diseases, including various types of cancer. Epstein–Barr nuclear antigen 1 (EBNA1) from EBV and latency-associated nuclear antigen (LANA) from KSHV are viral-encoded DNA-binding proteins that are essential for the replication and maintenance of their respective viral genomes during latent, oncogenic infection. As such, EBNA1 and LANA are attractive targets for the development of small-molecule inhibitors. To this end, we performed a biophysical screen of EBNA1 and LANA using a fragment library by saturation transfer difference (STD)–NMR spectroscopy and surface plasmon resonance (SPR). We identified and validated a number of unique fragment hits that bind to EBNA1 or LANA. We also determined the high-resolution crystal structure of one fragment bound to EBNA1. Results from this screening cascade provide new chemical starting points for the further development of potent inhibitors for this class of viral proteins.

59 BASIC BIOLOGICAL SCIENCES↗

Do Molecular Fingerprints Identify Diverse Active Drugs in Large-Scale Virtual Screening? (No)

Computational approaches for small-molecule drug discovery now regularly scale to the consideration of libraries containing billions of candidate small molecules. One promising approach to increased the speed of evaluating billion-molecule libraries is to develop succinct representations of each molecule that enable the rapid identification of molecules with similar properties. Molecular fingerprints are thought to provide a mechanism for producing such representations. Here, we explore the utility of commonly used fingerprints in the context of predicting similar molecular activity. We show that fingerprint similarity provides little discriminative power between active and inactive molecules for a target protein based on a known active—while they may sometimes provide some enrichment for active molecules in a drug screen, a screened data set will still be dominated by inactive molecules. We also demonstrate that high-similarity actives appear to share a scaffold with the query active, meaning that they could more easily be identified by structural enumeration. Furthermore, even when limited to only active molecules, fingerprint similarity values do not correlate with compound potency. In sum, these results highlight the need for a new wave of molecular representations that will improve the capacity to detect biologically active molecules based on their similarity to other such molecules.

59 BASIC BIOLOGICAL SCIENCES↗

A Systems Biology Approach to Identify Essential Epigenetic Regulators for Specific Biological Processes in Plants

Upon sensing developmental or environmental cues, epigenetic regulators transform the chromatin landscape of a network of genes to modulate their expression and dictate adequate cellular and organismal responses. Knowledge of the specific biological processes and genomic loci controlled by each epigenetic regulator will greatly advance our understanding of epigenetic regulation in plants. To facilitate hypothesis generation and testing in this domain, we present EpiNet, an extensive gene regulatory network (GRN) featuring epigenetic regulators. EpiNet was enabled by (i) curated knowledge of epigenetic regulators involved in DNA methylation, histone modification, chromatin remodeling, and siRNA pathways; and (ii) a machine-learning network inference approach powered by a wealth of public transcriptome datasets. We applied GENIE3, a machine-learning network inference approach, to mine public Arabidopsis transcriptomes and construct tissue-specific GRNs with both epigenetic regulators and transcription factors as predictors. The resultant GRNs, named EpiNet, can now be intersected with individual transcriptomic studies on biological processes of interest to identify the most influential epigenetic regulators, as well as predicted gene targets of the epigenetic regulators. We demonstrate the validity of this approach using case studies of shoot and root apical meristem development.

root apical meristem↗

Identifying Critical Infrastructure in Imagery Data Using Explainable Convolutional Neural Networks

To date, no method utilizing satellite imagery exists for detailing the locations and functions of critical infrastructure across the United States, making response to natural disasters and other events challenging due to complex infrastructural interdependencies. This paper presents a repeatable, transferable, and explainable method for critical infrastructure analysis and implementation of a robust model for critical infrastructure detection in satellite imagery. This model consists of a DenseNet-161 convolutional neural network, pretrained with the ImageNet database. The model was provided additional training with a custom dataset, containing nine infrastructure classes. The resultant analysis achieved an overall accuracy of 90%, with the highest accuracy for airports (97%), hydroelectric dams (96%), solar farms (94%), substations (91%), potable water tanks (93%), and hospitals (93%). Critical infrastructure types with relatively low accuracy are likely influenced by data commonality between similar infrastructure components for petroleum terminals (86%), water treatment plants (78%), and natural gas generation (78%). Local interpretable model-agnostic explanations (LIME) was integrated into the overall modeling pipeline to establish trust for users in critical infrastructure applications. The results demonstrate the effectiveness of a convolutional neural network approach for critical infrastructure identification, with higher than 90% accuracy in identifying six of the critical infrastructure facility types.

97 MATHEMATICS AND COMPUTING↗

Kinematically identified recoiling supermassive black hole candidates in SDSS QSOs with z < 0.25

We have performed a spectral decomposition to search for recoiling supermassive black holes (rSMBHs) in Sloan Digital Sky Survey (SDSS) quasi-stellar objects (QSOs) with z < 0.25. Out of 1271 QSOs, we have identified 26 rSMBH candidates that are recoiling toward us. The projected recoil velocities range from −76 to −307 km s{sup −1} with a mean of −149 ± 58 km s{sup −1}. Most of the rSMBH candidates are hosted by gas-rich luminous infrared galaxies (LIRGs)/ultra-luminous infrared galaxies (ULIRGs), but only 23% of them show signs of tidal features, which suggests that a majority of them are advanced mergers. We find that the black hole masses M {sub BH} of the rSMBH candidates are on average ∼5 times smaller than those of their stationary counterparts and cause a scatter in the M{sub BH}−σ{sub ∗} relation. The Eddington ratios of all of the rSMBH candidates are larger than 0.1, with a mean of 0.52 ± 0.27, suggesting that they are actively accreting mass. Velocity shifts in high-excitation coronal lines suggest that the rSMBH candidates are recoiling with an average velocity of about −265 km s{sup −1}. The electron density in the narrow line region of the H ii rSMBH candidates is about 1/10 of that in active galactic nucleus (AGN) rSMBH candidates, probably because the AGN in the former was more spatially offset than that in the latter. The estimated spatial offsets between the rSMBH candidate and the center of the host galaxy range from 0.″21 to 1.″97 and need to be confirmed spatially with high-resolution adaptive optics imaging observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Multi-epoch spectroscopy of dwarf galaxies with AGN signatures: identifying sources with persistent broad Hα emission

We use time-domain optical spectroscopy to distinguish between broad emission lines powered by accreting black holes (BHs) and stellar processes (i.e., supernovae) for 16 galaxies identified as active galactic nucleus (AGN) candidates by Reines et al (2013). Our study is primarily focused on those objects with narrow emission line ratios dominated by star formation, for which the origin of the broad Hα emission was unclear. Based on follow-up spectroscopy, we find that the broad Hα emission has faded or was ambiguous for all of the star-forming objects (14/16), over baselines ranging from 5–14 years, suggesting a transient stellar process was responsible for the broad emission in previous Sloan Digital Sky Survey observations. For the two objects in our follow-up sample with narrow-line AGN signatures (RGG 9 and RGG 119), we find persistent broad Hα emission consistent with an AGN origin. Additionally, we use high spectral resolution observations to measure stellar velocity dispersions for 15 objects in the Reines et al. (2013) sample, all with narrow-line ratios indicating the presence of an AGN. Stellar masses range from ∼5×10{sup 8} to 3×10{sup 9} M {sub ⊙}, and we measure σ{sub ∗} in the range of 28--71 km s{sup −1}. These σ{sub ∗} correspond to some of the lowest-mass galaxies with optical signatures of AGN activity. We show that RGG 119, the one object that has both a measured σ{sub ∗} and persistent broad Hα emission, falls near the extrapolation of the M{sub BH}−σ{sub ⋆} relation to the low-mass end.

79 ASTRONOMY AND ASTROPHYSICS↗

Gaia Assorted Mass Binaries Long Excluded from SLoWPoKES (GAMBLES): Identifying Ultra-wide Binary Pairs with Components of Diverse Mass

The formation and evolution of binary star systems are some of the remaining key questions in modern astronomy. Wide binary pairs (separations >10{sup 3} au) are particularly intriguing because their low binding energies make it difficult for the stars to stay gravitationally bound over extended timescales, and thus to probe the dynamics of binary formation and dissolution. Our previous SLoWPoKES catalogs, I and II, provided the largest and most complete sample of wide-binary pairs of low masses. Here we present an extension of these catalogs to a broad range of stellar masses: the Gaia Assorted Mass Binaries Long Excluded from SloWPoKES (GAMBLES), comprising 8660 statistically significant wide pairs that we make available in a living online database. Within this catalog we identify a subset of 543 long-lived (dissipation timescale >1.5 Gyr) candidate binary pairs, of assorted mass, with typical separations between 10{sup 3} and 10{sup 5.5} au (0.002–1.5 pc), using the published distances and proper motions from the Tycho -Gaia Astrometric Solution and Sloan Digital Sky Survey photometry. Each pair has at most a false positive probability of 0.05; the total expectation is 2.44 false binaries in our sample. Among these, we find 22 systems with 3 components, 1 system with 4 components, and 15 pairs consisting of at least 1 possible red giant. We find the largest long-lived binary separation to be nearly 3.2 pc; even so, >76% of GAMBLES long-lived binaries have large binding energies and dissipation lifetimes longer than 1.5 Gyr. Finally, we find that the distribution of binary separations is clearly bimodal, corroborating the findings from SloWPoKES and suggesting multiple pathways for the formation and dissipation of the widest binaries in the Galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗

TIC 278956474: Two Close Binaries in One Young Quadruple System Identified by TESS

We have identified a quadruple system with two close eclipsing binaries in Transiting Exoplanet Survey Satellite (TESS) data. The object is unresolved in Gaia and appears as a single source at parallax 1.08 ± 0.01 mas. Both binaries have observable primary and secondary eclipses and were monitored throughout TESS Cycle 1 (sectors 1–13), falling within the TESS Continuous Viewing Zone. In one eclipsing binary (P = 5.488 days), the smaller star is completely occluded by the larger star during the secondary eclipse; in the other (P = 5.674 days) both eclipses are grazing. Using these data, spectroscopy, speckle photometry, spectral energy distribution analysis, and evolutionary stellar tracks, we have constrained the masses and radii of the four stars in the two eclipsing binaries. The Li i equivalent width indicates an age of 10–50 Myr and, with an outer period of 858{sub −5}{sup +7} days, our analysis indicates this is one of the most compact young 2 + 2 quadruple systems known.

79 ASTRONOMY AND ASTROPHYSICS↗

Correcting Type Ia Supernova Distances for Selection Biases and Contamination in Photometrically Identified Samples

We present a new technique to create a bin-averaged Hubble diagram (HD) from photometrically identified SN Ia data. The resulting HD is corrected for selection biases and contamination from core-collapse (CC) SNe, and can be used to infer cosmological parameters. This method, called “BEAMS with Bias Corrections” (BBC), includes two fitting stages. The first BBC fitting stage uses a posterior distribution that includes multiple SN likelihoods, a Monte Carlo simulation to bias-correct the fitted SALT-II parameters, and CC probabilities determined from a machine-learning technique. The BBC fit determines (1) a bin-averaged HD (average distance versus redshift), and (2) the nuisance parameters α and β, which multiply the stretch and color (respectively) to standardize the SN brightness. In the second stage, the bin-averaged HD is fit to a cosmological model where priors can be imposed. We perform high-precision tests of the BBC method by simulating large (150,000 event) data samples corresponding to the Dark Energy Survey Supernova Program. Our tests include three models of intrinsic scatter, each with two different CC rates. In the BBC fit, the SALT-II nuisance parameters α and β are recovered to within 1% of their true values. In the cosmology fit, we determine the dark energy equation of state parameter w using a fixed value of Ω{sub M} as a prior: averaging over all six tests based on 6 × 150,000 = 900,000 SNe, there is a small w-bias of 0.006±0.002. Finally, the BBC fitting code is publicly available in the SNANA package.

79 ASTRONOMY AND ASTROPHYSICS↗

The SCUBA-2 Cosmology Legacy Survey: Multi-wavelength Properties of ALMA-identified Submillimeter Galaxies in UKIDSS UDS

We present a multi-wavelength analysis of 52 submillimeter galaxies (SMGs), identified using ALMA 870 μm continuum imaging in a pilot program to precisely locate bright SCUBA-2-selected submillimeter sources in the UKIDSS Ultra Deep Survey (UDS) field. Using the available deep (especially near-infrared) panoramic imaging of the UDS field at optical-to-radio wavelengths we characterize key properties of the SMG population. The median photometric redshift of the bright ALMA/SCUBA-2 UDS (AS2UDS) SMGs that are detected in a sufficient number of wavebands to derive a robust photometric redshift is z = 2.65 ± 0.13. However, similar to previous studies, 27% of the SMGs are too faint at optical-to-near-infrared wavelengths to derive a reliable photometric redshift. Assuming that these SMGs lie at z ≳ 3 raises the median redshift of the full sample to z = 2.9 ± 0.2. A subset of 23 unlensed, bright AS2UDS SMGs have sizes measured from resolved imaging of their rest-frame far-infrared emission. We show that the extent and luminosity of the far-infrared emission are consistent with the dust emission arising from regions that are, on average, optically thick at a wavelength of λ{sub 0}⩾75 μm (1σ dispersion of 55–90 μm). Using the dust masses derived from our optically thick spectral energy distribution models, we determine that these galaxies have a median hydrogen column density of N {sub H} = 9.8{sub −0.7}{sup +1.4} × 10{sup 23} cm{sup −2}, or a corresponding median V-band obscuration of A {sub v} = 540{sub −40}{sup +80} mag, averaged along the line of sight to the source of their rest-frame ∼200 μm emission. We discuss the implications of this extreme attenuation by dust for the multi-wavelength study of dusty starbursts and reddening-sensitive tracers of star formation.

79 ASTRONOMY AND ASTROPHYSICS↗

RAVE J203843.2–002333: The First Highly R-process-enhanced Star Identified in the RAVE Survey

We report the discovery of RAVE J203843.2−002333, a bright (V = 12.73), very metal-poor ([Fe/H] = −2.91), r-process-enhanced ([Eu/Fe] = +1.64 and [Ba/Eu] = −0.81) star selected from the RAVE survey. This star was identified as a metal-poor candidate based on its medium-resolution (R ∼ 1600) spectrum obtained with the KPNO/Mayall Telescope, and followed up with high-resolution (R ∼ 66,000) spectroscopy with the Magellan/Clay Telescope, allowing for the determination of elemental abundances for 24 neutron-capture elements, including thorium and uranium. RAVE J2038−0023 is only the fourth metal-poor star with a clearly measured U abundance. The derived chemical abundance pattern exhibits good agreement with those of other known highly r-process-enhanced stars, and evidence suggests that it is not an actinide-boost star. Age estimates were calculated using U/X abundance ratios, yielding a mean age of 13.0 ± 1.1 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗

Identifying RR Lyrae Variable Stars in Six Years of the Dark Energy Survey

We present a search for RR Lyrae stars using the full six-year data set from the Dark Energy Survey covering ∼5000 deg2 of the southern sky. Using a multistage multivariate classification and light-curve template-fitting scheme, we identify RR Lyrae candidates with a median of 35 observations per candidate. We detect 6971 RR Lyrae candidates out to ∼335 kpc, and we estimate that our sample is >70% complete at ∼150 kpc. We find excellent agreement with other wide-area RR Lyrae catalogs and RR Lyrae studies targeting the Magellanic Clouds and other Milky Way satellite galaxies. We fit the smooth stellar halo density profile using a broken-power-law model with fixed halo flattening (q = 0.7), and we find strong evidence for a break at with an inner slope of and an outer slope of . We use our catalog to perform a search for Milky Way satellite galaxies with large sizes and low luminosities. Using a set of simulated satellite galaxies, we find that our RR Lyrae-based search is more sensitive than those using resolved stellar populations in the regime of large (r h ≳ 500 pc), low-surface-brightness dwarf galaxies. A blind search for large, diffuse satellites yields three candidate substructures. The first can be confidently associated with the dwarf galaxy Eridanus II. The second has a distance and proper motion similar to the ultrafaint dwarf galaxy Tucana II but is separated by ∼5 deg. The third is close in projection to the globular cluster NGC 1851 but is ∼10 kpc more distant and appears to differ in proper motion.

79 ASTRONOMY AND ASTROPHYSICS↗

The HectoMAP Cluster Survey: Spectroscopically Identified Clusters and their Brightest Cluster Galaxies (BCGs)

We apply a friends-of-friends (FoF) algorithm to identify galaxy clusters and we use the catalog to explore the evolutionary synergy between brightest cluster galaxies (BCGs) and their host clusters. We base the cluster catalog on the dense HectoMAP redshift survey (2000 redshifts deg -2 ). The HectoMAP FoF catalog includes 346 clusters with 10 or more spectroscopic members within the range 0.05 < z < 0.55 and with a median z = 0.29. We list these clusters and their members. We also include central velocity dispersions (σ*, BCG ) for the FoF cluster BCGs, a distinctive feature of the HectoMAP FoF catalog. HectoMAP clusters with higher galaxy number density (80 systems) are all genuine clusters with a strong concentration and a prominent BCG in Subaru/Hyper Suprime-Cam images. The phase-space diagrams show the expected elongation along the line of sight. Lower-density systems include some low reliability systems. We establish a connection between BCGs and their host clusters by demonstrating that σ*, BCG /σ cl decreases as a function of cluster velocity dispersion (σ cl ), in contrast, numerical simulations predict a constant σ*, BCG /σ cl . Sets of clusters at two different redshifts show that BCG evolution in massive systems is slow over the redshift range z < 0.4. The data strongly suggest that minor mergers may play an important role in BCG evolution in clusters with σ cl ≳ 300 km s -1 . For lower mass systems (σ cl < 300 km s -1 ), major mergers may play a significant role. The coordinated evolution of BCGs and their host clusters provides an interesting test of simulations in high-density regions of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗

Follow-up of Young Stars Identified with BANYAN Σ: New Low-mass Members of Nearby Moving Groups

The characterization of moving groups offers a powerful means to identify large populations of young stars. In this paper, we present a sample of follow-up observations for 56 systems that have previously been proposed as members of young stellar associations through the application of the BANYAN Σ kinematic classification tool. Our measurements, which probe seven different associations, provide a sample of 39 stellar systems that either are confirmed or appear consistent with being young members of their respective associations. Nineteen of these are single M dwarfs. This sample expands our knowledge of Upper Centaurus Lupus, Coma Berenices, and AB Doradus Major to cooler temperatures and also significantly increases the known population of the Carina-Near association. The young systems present excellent targets for future planet searches and would also be valuable for studies of star formation and evolution. Additionally, we find two stellar systems that show indications of being rare instances of late-stage circumstellar accretion. Lastly, our follow-up measurements serve as a test of BANYAN Σ, finding an overall contamination rate that is consistent with previous findings (29% for systems with RV measurements, 37% without).

79 ASTRONOMY AND ASTROPHYSICS↗

IDENTIFYING PLANETARY BIOSIGNATURE IMPOSTORS: SPECTRAL FEATURES OF CO AND O{sub 4} RESULTING FROM ABIOTIC O{sub 2}/O{sub 3} PRODUCTION

O{sub 2} and O{sub 3} have been long considered the most robust individual biosignature gases in a planetary atmosphere, yet multiple mechanisms that may produce them in the absence of life have been described. However, these abiotic planetary mechanisms modify the environment in potentially identifiable ways. Here we briefly discuss two of the most detectable spectral discriminants for abiotic O{sub 2}/O{sub 3}: CO and O{sub 4}. We produce the first explicit self-consistent simulations of these spectral discriminants as they may be seen by James Webb Space Telescope (JWST). If JWST-NIRISS and/or NIRSpec observe CO (2.35, 4.6 μm) in conjunction with CO{sub 2} (1.6, 2.0, 4.3 μm) in the transmission spectrum of a terrestrial planet it could indicate robust CO{sub 2} photolysis and suggest that a future detection of O{sub 2} or O{sub 3} might not be biogenic. Strong O{sub 4} bands seen in transmission at 1.06 and 1.27 μm could be diagnostic of a post-runaway O{sub 2}-dominated atmosphere from massive H-escape. We find that for these false positive scenarios, CO at 2.35 μm, CO{sub 2} at 2.0 and 4.3 μm, and O{sub 4} at 1.27 μm are all stronger features in transmission than O{sub 2}/O{sub 3} and could be detected with S/Ns ≳ 3 for an Earth-size planet orbiting a nearby M dwarf star with as few as 10 transits, assuming photon-limited noise. O{sub 4} bands could also be sought in UV/VIS/NIR reflected light (at 0.345, 0.36, 0.38, 0.445, 0.475, 0.53, 0.57, 0.63, 1.06, and 1.27 μm) by a next generation direct-imaging telescope such as LUVOIR/HDST or HabEx and would indicate an oxygen atmosphere too massive to be biologically produced.

79 ASTRONOMY AND ASTROPHYSICS↗

CHROMOSPHERIC EMISSION OF PLANET CANDIDATE HOST STARS: A WAY TO IDENTIFY FALSE POSITIVES

It has been hypothesized that the presence of closely orbiting giant planets is associated with enhanced chromospheric emission of their host stars. The main cause for such a relation would likely be enhanced dynamo action induced by the planet. We present measurements of chromospheric emission in 234 planet candidate systems from the Kepler mission. This ensemble includes 37 systems with giant-planet candidates, which show a clear emission enhancement. The enhancement, however, disappears when systems that are also identified as eclipsing binary candidates are removed from the ensemble. This suggests that a large fraction of the giant-planet candidate systems with chromospheric emission stronger than the Sun are not giant-planet systems, but false positives. Such false-positive systems could be tidally interacting binaries with strong chromospheric emission. This hypothesis is supported by an analysis of 188 eclipsing binary candidates that show increasing chromospheric emission as function of decreasing orbital period.

79 ASTRONOMY AND ASTROPHYSICS↗

GROWTH on S190425z: Searching Thousands of Square Degrees to Identify an Optical or Infrared Counterpart to a Binary Neutron Star Merger with the Zwicky Transient Facility and Palomar Gattini-IR

The third observing run by LVC has brought the discovery of many compact binary coalescences. Following the detection of the first binary neutron star merger in this run (LIGO/Virgo S190425z), we performed a dedicated follow-up campaign with the Zwicky Transient Facility (ZTF) and Palomar Gattini-IR telescopes. The initial skymap of this single-detector gravitational wave (GW) trigger spanned most of the sky observable from Palomar Observatory. Covering 8000 deg2 of the initial skymap over the next two nights, corresponding to 46% integrated probability, ZTF system achieved a depth of ≈21 m AB in g- and r-bands. Palomar Gattini-IR covered 2200 square degrees in J-band to a depth of 15.5 mag, including 32% integrated probability based on the initial skymap. The revised skymap issued the following day reduced these numbers to 21% for the ZTF and 19% for Palomar Gattini-IR. We narrowed 338,646 ZTF transient "alerts" over the first two nights of observations to 15 candidate counterparts. Two candidates, ZTF19aarykkb and ZTF19aarzaod, were particularly compelling given that their location, distance, and age were consistent with the GW event, and their early optical light curves were photometrically consistent with that of kilonovae. These two candidates were spectroscopically classified as young core-collapse supernovae. The remaining candidates were ruled out as supernovae. Palomar Gattini-IR did not identify any viable candidates with multiple detections only after merger time. We demonstrate that even with single-detector GW events localized to thousands of square degrees, systematic kilonova discovery is feasible.

79 ASTRONOMY AND ASTROPHYSICS↗

A Conceptual Model to Identify Intent to Use Chemical-Biological Weapons

This paper describes a conceptual model to identify and interrelate indicators of intent of non-state actors to use chemical or biological weapons. The model expands on earlier efforts to understand intent to use weapons of mass destruction by building upon well-researched theories of intent and behavior and focusing on a sub-set of weapons of mass destruction (WMD) to account for the distinct challenges of employing different types of WMD in violent acts. The conceptual model is presented as a first, critical step in developing a computational model for assessing the potential for groups to use chemical or biological weapons.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗