5 research outputs found
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High-Resolution UV Relay Lens for Particle Size Distribution Measurements Using Holography
Shock waves passing through a metal sample can produce ejecta particulates at a metal-vacuum interface. Holography records particle size distributions by using a high-power, short-pulse laser to freeze particle motion. The sizes of the ejecta particles are recorded using an in-line Fraunhofer holography technique. Because the holographic plate would be destroyed in an energetic environment, a high-resolution lens has been designed to relay the interference fringes to a safe environment. Particle sizes within a 12-mm-diameter, 5-mm-thick volume are recorded onto holographic film. To achieve resolution down to 0.5 μm, ultraviolet laser (UV) light is needed. The design and assembly of a nine-element lens that achieves >2000 lp/mm resolution and operates at f/0.89 will be described. To set up this lens system, a doublet lens is temporarily attached that enables operation with 532-nm laser light and 1100 lp/mm resolution. Thus, the setup and alignment are performed with green light, but the dynamic recording is done with UV light. During setup, the 532-nm beam provides enough focus shift to accommodate the placement of a resolution target outside the ejecta volume; this resolution target does not interfere with the calibrated wires and pegs surrounding the ejecta volume. A television microscope archives images of resolution patterns that prove that the calibration wires, interference filter, holographic plate, and relay lenses are in their correct positions. Part of this lens is under vacuum, at the point where the laser illumination passes through a focus. Alignment and tolerancing of this high-resolution lens will be presented, and resolution variation through the 5-mm depth of field will be discussed
AI is a viable alternative to high throughput screening: a 318-target study
: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery
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Ejecta particle size distributions for shock loaded Sn and Al metals.
When a shock wave interacts at the surface of a metal sample 'ejected matter' (ejecta) can be emitted from the surface. The mass, size, shape, and velocity of the ejecta varies depending on the initial shock conditions and the material properties of the target. To understand this phenomena, experiments have been conducted at the Pegasus Pulsed Power Facility (PPPF) located at Los Alamos National Laboratory (LANL). The facility is used to implode cylinders to velocities of many mm/{micro}sec. The driving cylinder impacts a smaller target cylinder where shock waves of a few hundreds of kilobars can be reached and ejecta formation proceeds. The ejecta particle sizes are measured for shock loaded Sn and Al metal samples using an in-line Fraunhofer holography technique. The distributions will be compared to calculations from 3 and 2 dimensional percolation theory
Proceedings of the 4th World Conference on Research Integrity
CITATION: O’Brien, S. P., et al. 2016. Proceedings of the 4th World Conference on Research Integrity. Research Integrity and Peer Review, 1:9, doi:10.1186/s41073-016-0012-9.The original publication is available at https://researchintegrityjournal.biomedcentral.comThese Proceedings contain the abstracts of the presentations given at the 4th World Conference in concurrent sessions, partner symposia, and poster sessions. Also included are summaries of the discussions in three focus tracks, which allowed delegates to consider and work on questions about the roles of funders, institutions, and countries in improving research systems and strengthening research integrity. Videos of the plenary presentations are available at the conference website (www.wcri2015.org).https://researchintegrityjournal.biomedcentral.com/articles/10.1186/s41073-016-0012-