Article on through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes.

This article discusses first-principles-based kinetic Monte Carlo simulation of Nitric Oxide reduction.

Article on the U.S. National Science Foundation's (NSF) Broader Impacts Merit Review Criterion in relation to the America COMPETES Reauthorization Act of 2010.

Article discussing the notion that viewing MARC from a modern technological perspective leads to interpretive problems such as a confusion of "bibliographic data" with "catalog records."

Article discussing the mathematical correlations for describing enthalpies of solvation of organic vapors and gaseous solutes into ionic liquid solvents.

Article discussing research on the relationship between adolescent risk preferences on a laboratory task and behavioral measures of risk-taking.

Article on recruitment challenges and strategies in a home-based telehealth study.

Article on lipid profiling revealing tissue-specific differences for N-acylethanolamines and their precursors in mice lacking fatty acid amide hydrolase.

1. Objective: A method to determine whether beryllium (Be) components in surface swipe samples are from a natural source is needed. 2. Methods: Soil samples and surface swipes from area facilities were analyzed for marker elements to identify source pathways for beryllium (Be). To be useful, the natural marker element must be present at reasonably consistent levels across the site, must correlate with the Be concentration, and not have the potential to be present from non-natural sources. 3. Results: The research on marker elements used to identify source pathways for beryllium (Be) concentrations demonstrates a clear correlation between Be and yttrium (Y) in natural soils on the Nevada National Security Site. The Y/Be ratio is proposed as a method to characterize the source of Be in soil and surface swipe samples and to aid in recommendations for follow up actions. Swipe samples are analyzed using an ICP/MS method and compared with results from soil samples. Natural soil constituent levels and the Y/Be Ratio range is determined for the occupied and historical facilities and surrounding areas. Y/Be ratios within the statistical range established indicate the Be is from a natural source. Y/Be ratios lower than this range indicate the presence of …

HDF5 is a cross-platform parallel I/O library that is used by a wide variety of HPC applications for the flexibility of its hierarchical object-database representation of scientific data. We describe our recent work to optimize the performance of the HDF5 and MPI-IO libraries for the Lustre parallel file system. We selected three different HPC applications to represent the diverse range of I/O requirements, and measured their performance on three different systems to demonstrate the robustness of our optimizations across different file system configurations and to validate our optimization strategy. We demonstrate that the combined optimizations improve HDF5 parallel I/O performance by up to 33 times in some cases running close to the achievable peak performance of the underlying file system and demonstrate scalable performance up to 40,960-way concurrency.

A technique has been developed for measuring the properties of discharge-based plasma channels by monitoring the centroid location of a laser beam exiting the channel as a function of input alignment offset between the laser and the channel. The centroid position of low-intensity (<10{sup 14}Wcm{sup -2}) laser pulses focused at the input of a hydrogen-filled capillary discharge waveguide was scanned and the exit positions recorded to determine the channel shape and depth with an accuracy of a few %. In addition, accurate alignment of the laser beam through the plasma channel can be provided by minimizing laser centroid motion at the channel exit as the channel depth is scanned either by scanning the plasma density or the discharge timing. The improvement in alignment accuracy provided by this technique will be crucial for minimizing electron beam pointing errors in laser plasma accelerators.

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In the current X-ray crystallographic structural models of photosystem II, Glu354 of the CP43 polypeptide is the only amino acid ligand of the oxygen-evolving Mn4Ca cluster that is not provided by the D1 polypeptide. To further explore the influence of this structurally unique residue on the properties of the Mn4Ca cluster, the CP43-E354Q mutant of the cyanobacterium Synechocystis sp. PCC 6803 was characterized with a variety of biophysical and spectroscopic methods, including polarography, EPR, X-ray Absorption, FTIR, and mass spectrometry. The kinetics of oxygen release in the mutant were essentially unchanged from those in wild-type. In addition, the oxygen flash-yields exhibited normal period-four oscillations having normal S state parameters, although the yields were lower, correlating with the mutant?s lower steady-state rate (approx. 20percent compared to wild-type). Experiments conducted with H218O showed that the fast and slow phases of substrate water exchange in CP43-E354Q thylakoid membranes were accelerated 8.5- and 1.8-fold, respectively, in the S3 state compared to wild-type. Purified oxygen-evolving CP43-E354Q PSII core complexes exhibited a slightly altered S1 state Mn-EXAFS spectrum, a slightly altered S2 state multiline EPR signal, a substantially altered S2-minus-S1 FTIR difference spectrum, and an unusually long lifetime for the S2 state (> 10 hours) in …

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Radon detectors have been deployed underground at the Sanford Underground Laboratory at the site of the former Homestake Mine in Lead, SD. Currently, no radon mitigation measures are in place in the underground environment, and the continuing evolution of the facility ventilation systems has led to significant variations in early airborne radon concentrations. The average radon concentration measured near the primary ventilation intake for the 4850-ft level (Yates shaft) is 391 Bq/m{sup 3}, based on approximately 146 days of data. The corresponding average radon concentration near the other main ventilation intake for the 4850-ft level (Ross shaft) is 440 Bq/m{sup 3} based on approximately 350 days of data. Measurements have also been collected near the 1250-ft level Ross shaft, with average radon concentrations at 180 Bq/m{sup 3}. Secondary factors that may increase the baseline radon level underground include the presence of iron oxide and moisture, which are known to enhance radon emanation. The results of the current radon monitoring program will be used for the planning of future measurements and any potential optimization of ventilation parameters for the reduction of radon in relevant areas underground.

Herbivores can gain indirect access to recalcitrant carbon present in plant cell walls through symbiotic associations with lignocellulolytic microbes. A paradigmatic example is the leaf-cutter ant (Tribe: Attini), which uses fresh leaves to cultivate a fungus for food in specialized gardens. Using a combination of sugar composition analyses, metagenomics, and whole-genome sequencing, we reveal that the fungus garden microbiome of leaf-cutter ants is composed of a diverse community of bacteria with high plant biomass-degrading capacity. Comparison of this microbiome?s predicted carbohydrate-degrading enzyme profile with other metagenomes shows closest similarity to the bovine rumen, indicating evolutionary convergence of plant biomass degrading potential between two important herbivorous animals. Genomic and physiological characterization of two dominant bacteria in the fungus garden microbiome provides evidence of their capacity to degrade cellulose. Given the recent interest in cellulosic biofuels, understanding how large-scale and rapid plant biomass degradation occurs in a highly evolved insect herbivore is of particular relevance for bioenergy.

In many situations distribution can significantly deviate from Gaussian which requires accurate treatment of IBS. Our original interest in this problem was motivated by the need to have an accurate description of beam evolution due to IBS while distribution is strongly affected by the external electron cooling force. A variety of models with various degrees of approximation were developed and implemented in BETACOOL in the past to address this topic. A more complete treatment based on the friction coefficient and full 3-D diffusion tensor was introduced in BETACOOL at the end of 2007 under the name 'local IBS model'. Such a model allowed us calculation of IBS for an arbitrary beam distribution. The numerical benchmarking of this local IBS algorithm and its comparison with other models was reported before. In this paper, after briefly describing the model and its limitations, they present its comparison with available experimental data.

Human biospecimens are subjected to collection, processing, and storage that can significantly alter their molecular composition and consistency. These biospecimen preanalytical factors, in turn, influence experimental outcomes and the ability to reproduce scientific results. Currently, the extent and type of information specific to the biospecimen preanalytical conditions reported in scientific publications and regulatory submissions varies widely. To improve the quality of research that uses human tissues, it is crucial that information on the handling of biospecimens be reported in a thorough, accurate, and standardized manner. The Biospecimen Reporting for Improved Study Quality (BRISQ) recommendations outlined herein are intended to apply to any study in which human biospecimens are used. The purpose of reporting these details is to supply others, from researchers to regulators, with more consistent and standardized information to better evaluate, interpret, compare, and reproduce the experimental results. The BRISQ guidelines are proposed as an important and timely resource tool to strengthen communication and publications on biospecimen-related research and to help reassure patient contributors and the advocacy community that their contributions are valued and respected.

The RHIC polarized proton complex utilizes polarimeters in each of the Blue and Yellow beams that measure the beam polarization through the p-Carbon elastic scattering process in the Coulomb Nuclear Interference kinematic region. This along with a Polarized Hydrogen Jet Target that utilizes the proton-proton elastic scattering process to first measure the analyzing power of the reaction and using the reverse process to measure the beam polarization. The latter is used to calibrate the p-Carbon polarimeters at the desired beam energy. In Run 9 RHIC ran with beams at center-of-mass energies of 200 and 500 GeV respectively. The higher beam intensities as well as the fact that the 250 GeV beam size is much smaller than that at 100 GeV resulted in significantly higher rates seen by the polarimeters and led to observed instability. In this paper, we will discuss the problems encountered and the tests that were carried out using the AGS as a proxy in an attempt to solve the problems and the path forward we took towards the upcoming polarized proton Run11.

The Hybrid Energy Systems Testing (HYTEST) Laboratory is being established at the Idaho National Laboratory to develop and test hybrid energy systems with the principal objective to safeguard U.S. Energy Security by reducing dependence on foreign petroleum. A central component of the HYTEST is the slurry bubble column reactor (SBCR) in which the gas-to-liquid reactions will be performed to synthesize transportation fuels using the Fischer Tropsch (FT) process. SBCRs are cylindrical vessels in which gaseous reactants (for example, synthesis gas or syngas) is sparged into a slurry of liquid reaction products and finely dispersed catalyst particles. The catalyst particles are suspended in the slurry by the rising gas bubbles and serve to promote the chemical reaction that converts syngas to a spectrum of longer chain hydrocarbon products, which can be upgraded to gasoline, diesel or jet fuel. These SBCRs operate in the churn-turbulent flow regime which is characterized by complex hydrodynamics, coupled with reacting flow chemistry and heat transfer, that effect reactor performance. The purpose of this work is to develop a computational multiphase fluid dynamic (CMFD) model to aid in understanding the physico-chemical processes occurring in the SBCR. Our team is developing a robust methodology to couple reaction kinetics …

The personal dose equivalent, H{sub p}(d), is the quantity recommended by the International Commission on Radiation Units and Measurements (ICRU) to be used as an approximation of the protection quantity Effective Dose when performing personal dosemeter calibrations. The personal dose equivalent can be defined for any location and depth within the body. Typically, the location of interest is the trunk where personal dosemeters are usually worn and in this instance a suitable approximation is a 30 cm X 30 cm X 15 cm slab-type phantom. For this condition the personal dose equivalent is denoted as H{sub p,slab}(d) and the depths, d, are taken to be 0.007 cm for non-penetrating and 1 cm for penetrating radiation. In operational radiation protection a third depth, 0.3 cm, is used to approximate the dose to the lens of the eye. A number of conversion coefficients for photons are available for incident energies up to several MeV, however, data to higher energies are limited. In this work conversion coefficients up to 1 GeV have been calculated for H{sub p,slab}(10) and H{sub p,slab}(3) using both the kerma approximation and by tracking secondary charged particles. For H{sub p}(0.07) the conversion coefficients were calculated, but only to 10 …

Low-frequency analytical solutions have been obtained for phase velocities of symmetrical fluid waves within both an infinite fracture and a pipe filled with a viscous fluid. Three different fluid wave regimes can exist in such objects, depending on the various combinations of parameters, such as fluid density, fluid viscosity, walls shear modulus, channel thickness, and frequency. Equations for velocities of all these regimes have explicit forms and are verified by comparisons with the exact solutions. The dominant role of fractures in rock permeability at field scales and the strong amplitude and frequency effects of Stoneley guided waves suggest the importance of including these wave effects into poroelastic theories.

This work investigated the thermoelectric properties of thin silicon membranes that have been decorated with high density of nanoscopic holes. These ?holey silicon? (HS) structures were fabricated by either nanosphere or block-copolymer lithography, both of which are scalable for practical device application. By reducing the pitch of the hexagonal holey pattern down to 55 nm with 35percent porosity, the thermal conductivity of HS is consistently reduced by 2 orders of magnitude and approaches the amorphous limit. With a ZT value of 0.4 at room temperature, the thermoelectric performance of HS is comparable with the best value recorded in silicon nanowire system.

Two widely proposed kt-dependent gluon distributions in the small-x saturation regime are investigated using two particle back-to-back correlations in high energy scattering processes. The Weizsacker-Williams gluon distribution, interpreted as the number density of gluon inside the nucleus, is studied in the quark-antiquark jet correlation in deep inelastic scattering. On the other hand, the unintegrated gluon distribution, defined as the Fourier transform of the color-dipole cross section, is probed in the direct photon-jet correlation in pA collisions. Dijet-correlation in pA collisions depends on both gluon distributions through combination and convolution in the large Nc limit. We calculate these processes in two approaches: the transverse momentum dependent factorization approach and the color-dipole/color glass condensate formalism, and they agree with each other completely.