Frustration, or the competition between interacting components of a network, is often responsible for the emergent complexity of many-body systems. For instance, frustrated magnetism is a hallmark of ...poorly understood systems such as quantum spin liquids, spin glasses, and spin ices, whose ground states can be massively degenerate and carry high degrees of quantum entanglement. Here, we engineer frustrated antiferromagnetic interactions between spins stored in a crystal of up to 16 trapped ¹⁷¹Yb⁺ atoms. We control the amount of frustration by continuously tuning the range of interaction and directly measure spin correlation functions and their coherent dynamics. This prototypical quantum simulation points the way toward a new probe of frustrated quantum magnetism and perhaps the design of new quantum materials.
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We present a supercomputer-driven pipeline for in silico drug discovery using enhanced sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use of MD results by docking ...compound databases into representative protein binding-site conformations, thus taking into account the dynamic properties of the binding sites. We also describe preliminary results obtained for 24 systems involving eight proteins of the proteome of SARS-CoV-2. The MD involves temperature replica exchange enhanced sampling, making use of massively parallel supercomputing to quickly sample the configurational space of protein drug targets. Using the Summit supercomputer at the Oak Ridge National Laboratory, more than 1 ms of enhanced sampling MD can be generated per day. We have ensemble docked repurposing databases to 10 configurations of each of the 24 SARS-CoV-2 systems using AutoDock Vina. Comparison to experiment demonstrates remarkably high hit rates for the top scoring tranches of compounds identified by our ensemble approach. We also demonstrate that, using Autodock-GPU on Summit, it is possible to perform exhaustive docking of one billion compounds in under 24 h. Finally, we discuss preliminary results and planned improvements to the pipeline, including the use of quantum mechanical (QM), machine learning, and artificial intelligence (AI) methods to cluster MD trajectories and rescore docking poses.
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Eutrophication of Chesapeake Bay Kemp, W. M.; Boynton, W. R.; Adolf, J. E. ...
Marine ecology. Progress series (Halstenbek),
11/2005, Volume:
303
Journal Article
Peer reviewed
Open access
This review provides an integrated synthesis with timelines and evaluations of ecological responses to eutrophication in Chesapeake Bay, the largest estuary in the USA. Analyses of dated sediment ...cores reveal initial evidence of organic enrichment in ~200 yr old strata, while signs of increased phytoplankton and decreased water clarity first appeared ~100 yr ago. Severe, recurring deep-water hypoxia and loss of diverse submersed vascular plants were first evident in the 1950s and 1960s, respectively. The degradation of these benthic habitats has contributed to declines in benthic macroinfauna in deep mesohaline regions of the Bay and blue crabs in shallow polyhaline areas. In contrast, copepods, which are heavily consumed in pelagic food chains, are relatively unaffected by nutrient-induced changes in phytoplankton. Intense mortality associated with fisheries and disease have caused a dramatic decline in eastern oyster stocks and associated Bay water filtration, which may have exacerbated eutrophication effects on phytoplankton and water clarity. Extensive tidal marshes, which have served as effective nutrient buffers along the Bay margins, are now being lost with rising sea level. Although the Bay’s overall fisheries production has probably not been affected by eutrophication, decreases in the relative contribution of demersal fish and in the efficiency with which primary production is transferred to harvest suggest fundamental shifts in trophic and habitat structures. Bay ecosystem responses to changes in nutrient loading are complicated by non-linear feedback mechanisms, including particle trapping and binding by benthic plants that increase water clarity, and by oxygen effects on benthic nutrient recycling efficiency. Observations in Bay tributaries undergoing recent reductions in nutrient input indicate relatively rapid recovery of some ecosystem functions but lags in the response of others.
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The Juno spacecraft acquired direct observations of the jovian magnetosphere and auroral emissions from a vantage point above the poles. Juno’s capture orbit spanned the jovian magnetosphere from bow ...shock to the planet, providing magnetic field, charged particle, and wave phenomena context for Juno’s passage over the poles and traverse of Jupiter’s hazardous inner radiation belts. Juno’s energetic particle and plasma detectors measured electrons precipitating in the polar regions, exciting intense aurorae, observed simultaneously by the ultraviolet and infrared imaging spectrographs. Juno transited beneath the most intense parts of the radiation belts, passed about 4000 kilometers above the cloud tops at closest approach, well inside the jovian rings, and recorded the electrical signatures of high-velocity impacts with small particles as it traversed the equator.
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We provide an overview of the design and capabilities of the near-infrared spectrograph (NIRSpec) onboard the
James Webb
Space Telescope. NIRSpec is designed to be capable of carrying out ...low-resolution (
R
= 30−330) prism spectroscopy over the wavelength range 0.6–5.3 μm and higher resolution (
R
= 500−1340 or
R
= 1320−3600) grating spectroscopy over 0.7–5.2 μm, both in single-object mode employing any one of five fixed slits, or a 3.1 × 3.2 arcsec
2
integral field unit, or in multiobject mode employing a novel programmable micro-shutter device covering a 3.6 × 3.4 arcmin
2
field of view. The all-reflective optical chain of NIRSpec and the performance of its different components are described, and some of the trade-offs made in designing the instrument are touched upon. The faint-end spectrophotometric sensitivity expected of NIRSpec, as well as its dependency on the energetic particle environment that its two detector arrays are likely to be subjected to in orbit are also discussed.
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Cell transplantation is a potential strategy for treating blindness caused by the loss of photoreceptors. Although transplanted rod-precursor cells are able to migrate into the adult retina and ...differentiate to acquire the specialized morphological features of mature photoreceptor cells, the fundamental question remains whether transplantation of photoreceptor cells can actually improve vision. Here we provide evidence of functional rod-mediated vision after photoreceptor transplantation in adult Gnat1−/− mice, which lack rod function and are a model of congenital stationary night blindness. We show that transplanted rod precursors form classic triad synaptic connections with second-order bipolar and horizontal cells in the recipient retina. The newly integrated photoreceptor cells are light-responsive with dim-flash kinetics similar to adult wild-type photoreceptors. By using intrinsic imaging under scotopic conditions we demonstrate that visual signals generated by transplanted rods are projected to higher visual areas, including V1. Moreover, these cells are capable of driving optokinetic head tracking and visually guided behaviour in the Gnat1−/− mouse under scotopic conditions. Together, these results demonstrate the feasibility of photoreceptor transplantation as a therapeutic strategy for restoring vision after retinal degeneration.
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DOBA, IJS, IZUM, KILJ, KISLJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
We perform a statistical study of electromagnetic ion cyclotron (EMIC) waves detected by the Van Allen Probes mission to investigate the spatial distribution of their occurrence, wave power, ...ellipticity, and normal angle. The Van Allen Probes have been used which allow us to explore the inner magnetosphere (1.1 to 5.8 RE). Magnetic field measurements from the Electric and Magnetic Field Instrument Suite and Integrated Science on board the Van Allen Probes are used to identify EMIC wave events for the first 22 months of the mission operation (8 September 2012 to 30 June 2014). EMIC waves are examined in H+, He+, and O+ bands. Over 700 EMIC wave events have been identified over the three different wave bands (265 H+‐band events, 438 He+‐band events, and 68 O+‐band events). EMIC wave events are observed between L = 2–8, with over 140 EMIC wave events observed below L = 4. Results show that H+‐band EMIC waves have two peak magnetic local time (MLT) occurrence regions: prenoon (09:00 < MLT ≤ 12:00) and afternoon (15:00 < MLT ≤ 17:00) sectors. He+‐band EMIC waves feature an overall stronger dayside occurrence. O+‐band EMIC waves have one peak region located in the morning sector at lower L shells (L < 4). He+‐band EMIC waves average the highest wave power overall (>0.1 nT2/Hz), especially in the afternoon sector. Ellipticity observations reveal that linearly polarized EMIC waves dominate in lower L shells.
Key Points
A statistical study of EMIC waves observed by the Van Allen Probes is performed
The occurrence and wave properties of the EMIC waves are examined
Linearly polarized EMIC waves dominate lower L shells (L < 4)
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Since the year 2000, a concerted campaign against malaria has led to unprecedented levels of intervention coverage across sub-Saharan Africa. Understanding the effect of this control effort is vital ...to inform future control planning. However, the effect of malaria interventions across the varied epidemiological settings of Africa remains poorly understood owing to the absence of reliable surveillance data and the simplistic approaches underlying current disease estimates. Here we link a large database of malaria field surveys with detailed reconstructions of changing intervention coverage to directly evaluate trends from 2000 to 2015, and quantify the attributable effect of malaria disease control efforts. We found that Plasmodium falciparum infection prevalence in endemic Africa halved and the incidence of clinical disease fell by 40% between 2000 and 2015. We estimate that interventions have averted 663 (542-753 credible interval) million clinical cases since 2000. Insecticide-treated nets, the most widespread intervention, were by far the largest contributor (68% of cases averted). Although still below target levels, current malaria interventions have substantially reduced malaria disease incidence across the continent. Increasing access to these interventions, and maintaining their effectiveness in the face of insecticide and drug resistance, should form a cornerstone of post-2015 control strategies.
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DOBA, IJS, IZUM, KILJ, KISLJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
The Galaxy and Mass Assembly (GAMA) survey has been operating since 2008 February on the 3.9-m Anglo-Australian Telescope using the AAOmega fibre-fed spectrograph facility to acquire spectra with a ...resolution of R≈ 1300 for 120 862 Sloan Digital Sky Survey selected galaxies. The target catalogue constitutes three contiguous equatorial regions centred at 9h (G09), 12h (G12) and 14.5h (G15) each of 12 × 4 deg2 to limiting fluxes of r
pet < 19.4, r
pet < 19.8 and r
pet < 19.4 mag, respectively (and additional limits at other wavelengths). Spectra and reliable redshifts have been acquired for over 98 per cent of the galaxies within these limits. Here we present the survey footprint, progression, data reduction, redshifting, re-redshifting, an assessment of data quality after 3 yr, additional image analysis products (including ugrizYJHK photometry, Sérsic profiles and photometric redshifts), observing mask and construction of our core survey catalogue (GamaCore). From this we create three science-ready catalogues: GamaCoreDR1 for public release, which includes data acquired during year 1 of operations within specified magnitude limits (2008 February to April); GamaCoreMainSurvey containing all data above our survey limits for use by the GAMA Team and collaborators; and GamaCoreAtlasSV containing year 1, 2 and 3 data matched to Herschel-ATLAS science demonstration data. These catalogues along with the associated spectra, stamps and profiles can be accessed via the GAMA website: http://www.gama-survey.org/
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Food security is high on the global policy agenda. Demand for food is increasing as populations grow and gain wealth to purchase more varied and resource-intensive diets. There is increased ...competition for land, water, energy, and other inputs into food production. Climate change poses challenges to agriculture, particularly in developing countries (1), and many current farming practices damage the environment and are a major source of greenhouse gases (GHG). In an increasingly globalized world, food insecurity in one region can have widespread political and economic ramifications (2).
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