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Creators/Authors contains: "Pratt, Lawrence"

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  1. Abstract. Although the movement and aggregation of microplastics at the ocean surface have been well studied, less is known about the subsurface. Within the Maxey–Riley framework governing the movement of small, rigid spheres with high drag in fluid, the aggregation of buoyant particles is encouraged in vorticity-dominated regions. We explore this process in an idealized model that is qualitatively reminiscent of a 3D eddy with an azimuthal and overturning circulation. In the axially symmetric state, buoyant spherical particles that do not accumulate at the top boundary are attracted to a loop consisting of periodic orbits. Such a loop exists when drag on the particle is sufficiently strong. For small, slightly buoyant particles, this loop is located close to the periodic fluid parcel trajectory. If the symmetric flow is perturbed by a symmetry-breaking disturbance, additional attractors for small, rigid, slightly buoyant particles may arise near periodic orbits of fluid parcels within the resonance zones created by the disturbance. Disturbances with periodic or quasiperiodic time dependence may produce even more attractors, with a shape and location that recurs periodically. However, not all such loops attract, and rigid particles released in the vicinity of one loop may instead be attracted to a nearby attractor. Examples are presented along with mappings of the respective basins of attraction. 
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  2. Potassium channels modulate various cellular functions through efficient and selective conduction of K + ions. The mechanism of ion conduction in potassium channels has recently emerged as a topic of debate. Crystal structures of potassium channels show four K + ions bound to adjacent binding sites in the selectivity filter, while chemical intuition and molecular modeling suggest that the direct ion contacts are unstable. Molecular dynamics (MD) simulations have been instrumental in the study of conduction and gating mechanisms of ion channels. Based on MD simulations, two hypotheses have been proposed, in which the four-ion configuration is an artifact due to either averaged structures or low temperature in crystallographic experiments. The two hypotheses have been supported or challenged by different experiments. Here, MD simulations with polarizable force fields validated by ab initio calculations were used to investigate the ion binding thermodynamics. Contrary to previous beliefs, the four-ion configuration was predicted to be thermodynamically stable after accounting for the complex electrostatic interactions and dielectric screening. Polarization plays a critical role in the thermodynamic stabilities. As a result, the ion conduction likely operates through a simple single-vacancy and water-free mechanism. The simulations explained crystal structures, ion binding experiments and recent controversial mutagenesis experiments. This work provides a clear view of the mechanism underlying the efficient ion conduction and demonstrates the importance of polarization in ion channel simulations. 
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  3. null (Ed.)
    Empty fruit bunches (EFB) are waste products in the palm oil industry. Upon pressing of EFB, a liquor is produced which contains low grade fats, oils, and greases (FOG). These are the least valuable products of palm oil production, and are often discarded as waste. It is shown here that the EFB pressed liquor can be thermally transformed at or below 350 °C to produce a series of hydrocarbons in the range of kerosene and diesel fuel. This is distinctly different from other studies of biofuels from palm oil, which were based entirely on biodiesel (fatty acid methyl ester (FAME)) and biogas production. Furthermore, this transformation takes place without addition of an external catalyst, as was shown by comparison to reactions with the potential Lewis acid catalysts, ferric sulfate, and molecular sieves. The product distribution is similar to that obtained from brown grease, another waste FOG stream obtained from the sewage treatment industry, although the products from palm oil waste are less sensitive to reaction conditions. 
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  4. null (Ed.)
    Abstract The dense outflow through Denmark Strait is the largest contributor to the lower limb of the Atlantic meridional overturning circulation, yet a description of the full velocity field across the strait remains incomplete. Here we analyze a set of 22 shipboard hydrographic–velocity sections occupied along the Látrabjarg transect at the Denmark Strait sill, obtained over the time period 1993–2018. The sections provide the first complete view of the kinematic components at the sill: the shelfbreak East Greenland Current (EGC), the combined flow of the separated EGC, and the North Icelandic Jet (NIJ), and the northward-flowing North Icelandic Irminger Current (NIIC). The total mean transport of overflow water is 3.54 ± 0.29 Sv (1 Sv ≡ 10 6 m 3 s −1 ), comparable to previous estimates. The dense overflow is partitioned in terms of water mass constituents and flow components. The mean transports of the two types of overflow water—Atlantic-origin Overflow Water and Arctic-origin Overflow Water—are comparable in Denmark Strait, while the merged NIJ–separated EGC transports 55% more water than the shelfbreak EGC. A significant degree of water mass exchange takes place between the branches as they converge in Denmark Strait. There are two dominant time-varying configurations of the flow that are characterized as a cyclonic state and a noncyclonic state. These appear to be wind-driven. A potential vorticity analysis indicates that the flow through Denmark Strait is subject to symmetric instability. This occurs at the top of the overflow layer, implying that the mixing/entrainment process that modifies the overflow water begins at the sill. 
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