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301 results
  • Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes). [Journal Article]
    J Chem Phys 2019; 151(10):104901Clark JA, Santiso EE, Frischknecht AL
  • A coarse-grained model previously used to simulate Nafion using dissipative particle dynamics (DPD) is modified to describe sulfonated Diels-Alder poly(phenylene) (SDAPP) polymers. The model includes a proton-hopping mechanism similar to the Grotthuss mechanism. The intramolecular parameters for SDAPP are derived from atomistic molecular dynamics (MD) simulation using the iterative Boltzmann inve…
  • Beyond Better, Safer, Cheaper Health Care: What's Ultimately at Stake? [Journal Article]
    Acad Med 2019Souba W, Tsai A
  • Health care reform continues to be controversial and divisive and take its toll on physicians, patients, and national unity. An emphasis on efficiency and profit that depersonalizes human interactions hampers building physician-patient relationships grounded in compassion and trust. The authors argue that health care reform will be more effective if it is grounded in and anchored by a physician-p…
  • Void distributions reveal structural link between jammed packings and protein cores. [Journal Article]
    Phys Rev E 2019; 99(2-1):022416Treado JD, Mei Z, … O'Hern CS
  • Dense packing of hydrophobic residues in the cores of globular proteins determines their stability. Recently, we have shown that protein cores possess packing fraction ϕ≈0.56, which is the same as dense, random packing of amino-acid-shaped particles. In this article, we compare the structural properties of protein cores and jammed packings of amino-acid-shaped particles in much greater depth by m…
  • Percolation in a distorted square lattice. [Journal Article]
    Phys Rev E 2019; 99(1-1):012117Mitra S, Saha D, Sensharma A
  • This paper presents a Monte Carlo study of percolation in a distorted square lattice, in which the adjacent sites are not equidistant. Starting with an undistorted lattice, the position of the lattice sites are shifted through a tunable parameter α to create a distorted empty lattice. In this model, two occupied neighboring sites are considered to be connected to each other in order to belong to …
  • Emergent structure-dependent relaxation spectra in viscoelastic fiber networks in extension. [Journal Article]
    Acta Biomater 2019; 87:245-255Dhume RY, Barocas VH
  • Viscoelasticity plays an important role in the mechanical behavior of biological tissues undergoing dynamic loading. Exploring viscoelastic relaxation spectra of the tissue is essential for predicting its mechanical response. Most load-bearing tissues, however, are also composed of networks of intertwined fibers and filaments of, e.g., collagen, elastin. In this work, we show how non-affine defor…
  • Methyl and Total Mercury in Different Media and Associated Fluxes in a Watershed Forest, Southwest China. [Journal Article]
    Int J Environ Res Public Health 2018; 15(12)Du H, Ma M, … Wang D
  • Mercury (Hg) deposition in the forest ecosystem is a significant source of input for methyl Hg (MeHg) and total Hg (THg) to the subtropical forest field and downstream aquatic systems. Wet deposition, litterfall, runoff, and fluxes with forest soil percolate of MeHg and THg were sampled for two years in a watershed forest of southwest China. Results showed that the depositions of THg and MeHg thr…
  • The effect of freezing and thawing on water flow and MCPA leaching in partially frozen soil. [Journal Article]
    J Contam Hydrol 2018; 219:72-85Holten R, Bøe FN, … Eklo OM
  • Limited knowledge and experimental data exist on pesticide leaching through partially frozen soil. The objective of this study was to better understand the complex processes of freezing and thawing and the effects these processes have on water flow and pesticide transport through soil. To achieve this we conducted a soil column irrigation experiment to quantify the transport of a non-reactive tra…
  • Detecting Seasonal Flow Pathways in Road Structures Using Tracer Tests and ERT. [Journal Article]
    Water Air Soil Pollut 2018; 229(11):358Rasul H, Earon R, Olofsson B
  • Roads and traffic can be a source of water-bound pollutants, which can percolate through the unsaturated zone to groundwater. Deicing salt is widely used on roads in northern Europe during winter and is usually applied at a time when the temperature is below zero and the soil is partly frozen. Understanding the mechanism by which water-bound pollutants such as deicing salt are transferred from ro…
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