Asymmetric dearomatization/cyclization enables access to polycyclic chemotypes

Enantioenriched, polycyclic compounds were obtained from a simple acylphloroglucinol scaffold. Highly enantioselective dearomatization was accomplished using a Trost ligand-palladium(0) complex. A computational DFT model was developed to rationalize observed enantioselectivities and revealed a key reactant-ligand hydrogen bonding interaction. Dearomatized products were used in visible light-mediated photocycloadditions and oxidative free radical cyclizations to obtain novel polycyclic chemotypes including tricyclo[4.3.1.01,4]decan-10-ones, bicyclo[3.2.1]octan-8-ones and highly-substituted cycloheptanones.R24 GM111625 - NIGMS NIH HH

Coupled Vlasov and two-fluid codes on GPUs

We present a way to combine Vlasov and two-fluid codes for the simulation of a collisionless plasma in large domains while keeping full information of the velocity distribution in localized areas of interest. This is made possible by solving the full Vlasov equation in one region while the remaining area is treated by a 5-moment two-fluid code. In such a treatment, the main challenge of coupling kinetic and fluid descriptions is the interchange of physically correct boundary conditions between the different plasma models. In contrast to other treatments, we do not rely on any specific form of the distribution function, e.g. a Maxwellian type. Instead, we combine an extrapolation of the distribution function and a correction of the moments based on the fluid data. Thus, throughout the simulation both codes provide the necessary boundary conditions for each other. A speed-up factor of around 20 is achieved by using GPUs for the computationally expensive solution of the Vlasov equation and an overall factor of at least 60 using the coupling strategy combined with the GPU computation. The coupled codes were then tested on the GEM reconnection challenge

The Influence of Reservoir Basin Morphometry on Phytoplankton Community Structure

The research protocol was designed to compare three reservoirs with similar physical environments but different morphometry. Three reservoirs on the western edge of the Ozark uplift were selected because of their similar substrate and climatic condition. The reservoirs primarily differed in morphometry. Two of the reservoirs were of identical size, Bob Kidd and Prairie Groves Lakes, but of different configuration, semicircular and linear, respectively. The bifurcated lake, Lincoln Lake, was of smaller size. Each lake is dimictic. Each of the lakes were nitrate-N limited while soluble reactive phosphorus-P is available and not restricting the growth of phytoplankton. Although the pattern of nutrient utilization was similar among the nutrient concentrations varied. Phytoplankton succession was alike in each reservoir but differed in quantity

Temperature gradient driven heat flux closure in fluid simulations of collisionless reconnection

Recent efforts to include kinetic effects in fluid simulations of plasmas have been very promising. Concerning collisionless magnetic reconnection, it has been found before that damping of the pressure tensor to isotropy leads to good agreement with kinetic runs in certain scenarios. An accurate representation of kinetic effects in reconnection was achieved in a study by Wang et al. (Phys. Plasmas, volume 22, 2015, 012108) with a closure derived from earlier work by Hammett and Perkins (PRL, volume 64, 1990, 3019). Here, their approach is analyzed on the basis of heat flux data from a Vlasov simulation. As a result, we propose a new local closure in which heat flux is driven by temperature gradients. That way, a more realistic approximation of Landau damping in the collisionless regime is achieved. Previous issues are addressed and the agreement with kinetic simulations in different reconnection setups is improved significantly. To the authors' knowledge, the new fluid model is the first to perform well in simulations of the coalescence of large magnetic islands.Comment: 14 pages, 7 figure

Illinois River 2005 Pollutant Loads at Arkansas Highway 59 Bridge

Automatic water sampler and a U. S. Geological Survey gauging station were established in 1995 on the main stem of the Illinois River at the Arkansas Highway 59 Bridge. Since that time, continuous stage and discharge measurements and water quality sampling have been used to determine pollutant concentrations and loads in the Arkansas portion of the Illinois River. This report represents the results from the measurement and sampling by the Arkansas Water Resources Center -Water Quality Lab for January 1, 2005 to December 31, 2005