Extending Continuum Models for Atom Probe Simulation

This work describes extensions to existing level-set algorithms developed for application within the field of Atom Probe Tomography (APT). We present a new simulation tool for the simulation of 3D tomographic volumes, using advanced level set methods. By combining narrow-band, B-Tree and particle-tracing approaches from level-set methods, we demonstrate a practical tool for simulating shape changes to APT samples under applied electrostatic fields, in three dimensions. This work builds upon our previous studies by allowing for non-axially symmetric solutions, with minimal loss in computational speed, whilst retaining numerical accuracy

The Value of Evidence-Based Computer Simulation of Oral Health Outcomes for Management Analysis of the Alaska Dental Health Aide Program

Objectives: To create an evidence‐based research tool to inform and guide policy and program managers as they develop and deploy new service delivery models for oral disease prevention and intervention. Methods: A village‐level discrete event simulation was developed to project outcomes associated with different service delivery patterns. Evidence‐ based outcomes were associated with dental health aide activities, and projected indicators (DMFT, F+ST, T‐health, SiC, CPI, ECC) were proxy for oral health outcomes. Model runs representing the planned program implementation, a more intensive staffing scenario, and a more robust prevention scenario, generated 20‐year projections of clinical indicators; graphs and tallies were analyzed for trends and differences. Results: Outcomes associated with alternative patterns of service delivery indicate there is potential for substantial improvement in clinical outcomes with modest program changes. Not all segments of the population derive equal benefit when program variables are altered. Children benefit more from increased prevention, while adults benefit more from intensive staffing. Conclusions: Evidence‐ based simulation is a useful tool to analyze the impact of changing program variables on program outcome measures. This simulation informs dental managers of the clinical outcomes associated with policy and service delivery variables. Simulation tools can assist public health managers in analyzing and understanding the relationship between their policy decisions and long‐term clinical outcomes.The Ford Foundation

DF-Fit : A robust algorithm for detection of crystallographic information in Atom Probe Tomography data

We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution functions, as per existing algorithms, but eliminates an unnecessary parameter as compared to current methods. By examining traditional distribution functions in an automated fashion in real space, rather than using Fourier transform approaches, we utilise an error metric based upon the expected value for a spatially random distribution for detecting crystallography. We show cases where the metric is able to successfully obtain orientation information, and show that it can function with high levels of additive and displacive background noise. We additionally compare this metric to Fourier transform methods, showing fewer artefacts when examining simulated datasets. An extension of the approach is used to aid the automatic detection of high-quality data regions within an entire dataset, albeit with a large increase in computational cost. This extension is demonstrated on acquired Aluminium and Tungsten APT datasets, and shown to be able to discern regions of the data which have relatively improved spatial data quality. Finally, this program has been made available for use in other laboratories undertaking their own analyses

In Silico Binding of 2-Aminocyclobutanones to SARS-CoV-2 Nsp13 Helicase and Demonstration of Antiviral Activity

The landscape of viral strains and lineages of SARS-CoV-2 keeps changing and is currently dominated by Delta and Omicron variants. Members of the latest Omicron variants, including BA.1, are showing a high level of immune evasion, and Omicron has become a prominent variant circulating globally. In our search for versatile medicinal chemistry scaffolds, we prepared a library of substituted α-aminocyclobutanones from an α-aminocyclobutanone synthon (11). We performed an in silico screen of this actual chemical library as well as other virtual 2-aminocyclobutanone analogs against seven SARS-CoV-2 nonstructural proteins to identify potential drug leads against SARS-CoV-2, and more broadly against coronavirus antiviral targets. Several of these analogs were initially identified as in silico hits against SARS-CoV-2 nonstructural protein 13 (Nsp13) helicase through molecular docking and dynamics simulations. Antiviral activity of the original hits as well as α-aminocyclobutanone analogs that were predicted to bind more tightly to SARS-CoV-2 Nsp13 helicase are reported. We now report cyclobutanone derivatives that exhibit anti-SARS-CoV-2 activity. Furthermore, the Nsp13 helicase enzyme has been the target of relatively few target-based drug discovery efforts, in part due to a very late release of a high-resolution structure accompanied by a limited understanding of its protein biochemistry. In general, antiviral agents initially efficacious against wild-type SARS-CoV-2 strains have lower activities against variants due to heavy viral loads and greater turnover rates, but the inhibitors we are reporting have higher activities against the later variants than the wild-type (10–20X). We speculate this could be due to Nsp13 helicase being a critical bottleneck in faster replication rates of the new variants, so targeting this enzyme affects these variants to an even greater extent. This work calls attention to cyclobutanones as a useful medicinal chemistry scaffold, and the need for additional focus on the discovery of Nsp13 helicase inhibitors to combat the aggressive and immune-evading variants of concern (VOCs)

Distribution of \u3ci\u3eBaylisascaris procyonis\u3c/i\u3e in Raccoons (\u3ci\u3eProcyon lotor\u3c/i\u3e) in Florida, USA

Baylisascaris procyonis, or raccoon roundworm, is an intestinal nematode parasite of raccoons (Procyon lotor) that is important to public and wildlife health. Historically, the parasite was uncommon in the southeastern US; however, the range of B. procyonis has expanded to include Florida, US. From 2010 to 2016, we opportunistically sampled 1,030 raccoons statewide. The overall prevalence was 3.7% (95% confidence interval=2.5–4.8%) of sampled individuals, and infection intensity ranged from 1 to 48 (mean±standard deviation 9.9±4.0). We found raccoon roundworm in 9/56 (16%) counties sampled, and the percent positive ranged from 1.1% to 13.3% of specimens collected per county. Including previously published data, B. procyonis was detected in 11 Florida counties. We used logistic regression to estimate the contribution of raccoon demographic variables and the presence of the endoparasite Macracanthorhynchus ingens to B. procyonis detection in Florida. Following the model selection process we found housing density, M. ingens presence, and urbanicity to be predictive of raccoon roundworm presence. We also found substantial among-county variation. Raccoon sex and age were not useful predictors. Public health officials, wildlife rehabilitators, wildlife managers, and others should consider any Florida raccoon to be potentially infected with B. procyonis, particularly in areas where housing density is high

Volume 02

Introduction from Dean Dr. Charles Ross Mike\u27s Nite: New Jazz for an Old Instrument by Joseph A. Mann Investigation of the use of Cucumis Sativus for Remediation Of Chromium from Contaminated Environmental Matrices: An Interdisciplinary Instrumental Analysis Project by Kathryn J. Greenly, Scott E. Jenkins, and Andrew E. Puckette Development of GC-MS and Chemometric Methods for the Analysis of Accelerants in Arson Cases by Scott Jenkins Building and Measuring Scalable Computing Systems by Daniel M. Honey and Jeffery P. Ravenhorst Nomini Hall: A Case Study in the Use of Archival Resources as Guides for Excavation at An Archaeological Site by Jamie Elizabeth Mesrobian Two Stories: In Ohio and How to Stay Out of the Brazilian Army by Thomas Scott Forgerson des Hommes/Stealing the Steel in Zola\u27s Men by Jay Crowell Paul Gauguin\u27s Escape into Primitivism by Sarah Spangenberg Lee Krasner, Abstract Expressionist by Amy S. Eason Artist Book “Paris” by Kenny Wolfe Artist Book “Sequence of Every Day” by Liz Hale Artist Book “Apple Tree” by Rachel Bouchard Artist Book “Not so Pretty in Pink” by Will Semonco Artist Book “Look into the Moon” by Carley York Artist Books “Extra” and “Green” by Ryan Higgenbothom Artist Book “Re-growing Appalachia” by Adrienne Heinbaugh Artist Books “Cheeziest”, “Uh-oh” and “The Girl with the Glasses” by Melissa Dorton “Self-Reflection” by Madeline Hunter Artist Book “The Princess and the Frog” by June Ashmore “Hunter’s Niche” and “The Wild” by Clark Barkley “To Thine Own Self be True” by Jay Haley “Not Funny” Ten-Minute Play Festiva

SKYSURF-4: Panchromatic HST All-Sky Surface-Brightness Measurement Methods and Results

The diffuse, unresolved sky provides most of the photons that the Hubble Space Telescope (HST) receives, yet remains poorly understood. HST Archival Legacy program SKYSURF aims to measure the 0.2-1.6 $\mu$m sky surface brightness (sky-SB) from over 140,000 HST images. We describe a sky-SB measurement algorithm designed for SKYSURF that is able to recover the input sky-SB from simulated images to within 1% uncertainty. We present our sky-SB measurements estimated using this algorithm on the entire SKYSURF database. Comparing our sky-SB spectral energy distribution (SED) to measurements from the literature shows general agreements. Our SKYSURF SED also reveals a possible dependence on Sun angle, indicating either non-isotropic scattering of solar photons off interplanetary dust or an additional component to Zodiacal Light. Finally, we update Diffuse Light limits in the near-IR based on the methods from Carleton et al. (2022), with values of 0.009 MJy sr$^{-1}$ (22 nW m$^{-2}$ sr$^{-1}$) at 1.25 $\mu$m, 0.015 MJy sr$^{-1}$ (32 nW m$^{-2}$ sr$^{-1}$) at 1.4 $\mu$m, and 0.013 MJy sr$^{-1}$ (25 nW m$^{-2}$ sr$^{-1}$) at 1.6 $\mu$m. These estimates provide the most stringent all-sky constraints to date in this wavelength range. SKYSURF sky-SB measurements are made public on the official SKYSURF website and will be used to constrain Diffuse Light in future papers.Comment: Revised based on helpful comments from the reviewer, and accepted to AJ on April 12th, 2023. Main paper: 18 pages, 9 figures, 4 tables. Appendices: 16 pages, 10 figures, 1 table. Main results shown in Figure 7 and Table