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  1. Chemical shape and size play a critical role in chemistry. The van der Waals (vdW) radius, a familiar manifold used to quantify size by assuming overlapping spheres, provides rapid estimates of size in atoms, molecules, and materials. However, the vdW method may be too rigid to describe highly polarized systems and chemical species that stray from spherical atomistic environments. To deal with these exotic chemistries, numerous alternate methods based on electron density have been presented. While each boasts inherent generality, all define the size of a chemical system, in one way or another, by its electron density. Herein, we revisitmore »the longstanding problem of assessing sizes of atoms and molecules, instead through examination of the local electric field produced by them. While conceptually different than nuclei-centered methods like that of van der Waals, the field assesses chemically affected volumes . This approach implicitly accounts for long-range fields in highly polar systems and predicts that cations should affect more space than neutral counterparts.« less
    Free, publicly-accessible full text available January 1, 2023
  2. Free, publicly-accessible full text available October 1, 2022
  3. Background Prior diagnosis of heart failure (HF) is associated with increased length of hospital stay (LOS) and mortality from COVID-19. Associations between substance use, venous thromboembolism (VTE) or peripheral arterial disease (PAD) and its effects on LOS or mortality in patients with HF hospitalised with COVID-19 remain unknown. Objective This study identified risk factors associated with poor in-hospital outcomes among patients with HF hospitalised with COVID-19. Methods Case–control study was conducted of patients with prior diagnosis of HF hospitalised with COVID-19 at an academic tertiary care centre from 1 January 2020 to 28 February 2021. Patients with HF hospitalised withmore »COVID-19 with risk factors were compared with those without risk factors for clinical characteristics, LOS and mortality. Multivariate regression was conducted to identify multiple predictors of increased LOS and in-hospital mortality in patients with HF hospitalised with COVID-19. Results Total of 211 patients with HF were hospitalised with COVID-19. Women had longer LOS than men (9 days vs 7 days; p<0.001). Compared with patients without PAD or ischaemic stroke, patients with PAD or ischaemic stroke had longer LOS (7 days vs 9 days; p=0.012 and 7 days vs 11 days, p<0.001, respectively). Older patients (aged 65 and above) had increased in-hospital mortality compared with younger patients (adjusted OR: 1.04; 95% CI 1.00 to 1.07; p=0.036). Prior diagnosis of VTE increased mortality more than threefold in patients with HF hospitalised with COVID-19 (adjusted OR: 3.33; 95% CI 1.29 to 8.43; p=0.011). Conclusion Vascular diseases increase LOS and mortality in patients with HF hospitalised with COVID-19.« less
  4. Wave forcing from hurricanes, nor’easters, and energetic storms can cause erosion of the berm and beach face resulting in increased vulnerability of dunes and coastal infrastructure. LIDAR or other surveying techniques have quantified post-event morphology, but there is a lack of in situ hydrodynamic and morphodynamic measurements during extreme storm events. Two field studies were conducted in March 2018 and April 2019 at Bethany Beach, Delaware, where in situ hydrodynamic and morphodynamic measurements were made during a nor’easter (Nor’easter Riley) and an energetic storm (Easter Eve Storm). An array of sensors to measure water velocity, water depth, water elevation andmore »bed elevation were mounted to scaffold pipes and deployed in a single cross-shore transect. Water velocity was measured using an electro-magnetic current meter while water and bed elevations were measured using an acoustic distance meter along with an algorithm to differentiate between the water and bed during swash processes. GPS profiles of the beach face were measured during every day-time low tide throughout the storm events. Both accretion and erosion were measured at different cross-shore positions and at different times during the storm events. Morphodynamic change along the back-beach was found to be related to berm erosion, suggesting an important morphologic feedback mechanism. Accumulated wave energy and wave energy flux per unit area between Nor’easter Riley and a recent mid-Atlantic hurricane (Hurricane Dorian) were calculated and compared. Coastal Observations: JALBTCX/NCMP emergency-response airborne Lidar coastal mapping & quick response data products for 2016/2017/2018 hurricane impact assessments« less