Specificity of Processing [alpha]-Glucosidase I Is Guided by the Substrate Conformation; Crystallographic and in Silico Studies
Abstract not provided
Barker, Megan K.↗
SEARCH · Engineering Papers
Results for “ROSES”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Interactions with the Bifunctional Interface of the Transcriptional Coactivator DCoH1 Are Kinetically Regulated
Pterin-4a-carbinolamine dehydratase (PCD) is a highly conserved enzyme that evolved a second, unrelated function in mammals, as a transcriptional coactivator. As a coactivator, PCD is known as DCoH or dimerization cofactor of the transcription factor HNF-1. These two activities are associated with a change in oligomeric state: from two dimers interacting as an enzyme in the cytoplasm to a dimer interacting with a dimer of HNF-1 in the nucleus. The same interface of DCoH forms both complexes. To determine how DCoH partitions between its two functions, we studied in this paper the folding and stability of the DCoH homotetramer. We show that the DCoH1 homotetramer is kinetically trapped, meaning once it forms it will not dissociate to interact with HNF-1. In contrast, DCoH2, a paralog of DCoH1, unfolds within hours. A simple mutation in the interface of DCoH2 from Ser-51 to Thr, as found in DCoH1, increases the kinetic stability by 9 orders of magnitude, to τ½ ~2 million years. This suggests that the DCoH1·HNF-1 complex must co-fold to interact. We conclude that simple mutations can dramatically affect the dissociation kinetics of a complex. Residue 51 represents a “kinetic hot spot” instead of a “thermodynamic hot spot.” Kinetic regulation allows PCD to adopt two distinct functions. Finally, mutations in DCoH1 associated with diabetes affect both functions of DCoH1, perhaps by disrupting the balance between the two DCoH complexes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Airborne Release Fractions from Surrogate Nuclear Waste Fires Containing Lanthanide Nitrates and Depleted Uranium Nitrate in 30% Tributyl Phosphate in Kerosene
Airborne contaminants from fires containing nuclear waste represent significant health hazards and shape the design and operation of nuclear facilities. Much of the data used to formulate DOE-HDBK-3010-94, “Airborne Release Fractions/Rates and Respirable Fractions for Nonreactor Nuclear Facilities,” from the U.S. Department of Energy, were taken over 40 years ago. The objectives of this study were to reproduce experiments from Pacific Northwest Laboratories conducted in June 1973 employing current aerosol measurement methods and instrumentation, develop an enhanced understanding of particulate formation and transport from fires containing nuclear waste, and provide modeling and experimental capabilities for updating current standards and practices in nuclear facilities. A special chamber was designed to conduct small fires containing 25 mL of flammable waste containing lutetium nitrate, ytterbium nitrate, or depleted uranium nitrate. Carbon soot aerosols showed aggregates of primary particles ranging from 20 to 60 nm in diameter. In scanning electron microscopy, ~200-nm spheroidal particles were also observed dispersed among the fractal aggregates. The 200-nm spherical particles were composed of metal phosphates. Airborne release fractions (ARFs) were characterized by leaching filter deposits and quantifying metal concentrations with mass spectrometry. The average mass-based ARF for 238 U experiments was 1.0 × 10 -3 with a standard deviation of 7.5 × 10 -4 . For the original experiments, DOE-HDBK-3010-94 states, “Uranium ARFs range from 2 × 10 -4 to 3 × 10 -3 , an uncertainty of approximately an order of magnitude.” Therefore, current measurements were consistent with DOE-HDBK-3010-94 values. ARF values for lutetium and ytterbium were approximately one to two orders of magnitude lower than 238 U. Furthermore, metal nitrate solubility may have varied with elemental composition and temperature, thereby affecting ARF values for uranium surrogates (Yb and Lu). In addition to ARF data, solution boiling temperatures and evaporation rates can also be deduced from experimental data.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Key Results from Detailed Nondestructive Examinations of 25 Pressurized Water Reactor High Burnup Spent Nuclear Fuel Rods
The High Burnup Spent Fuel Data Project, sponsored by the U.S. Department of Energy Office of Nuclear Energy, is focused on understanding the effects of long-term storage and transportation on high burnup (HBU) (>45 GW days per tonne uranium) light water reactor fuel. The project includes 32 HBU spent nuclear fuel (SNF) assemblies (the project assemblies) that are stored in a typical independent spent fuel storage installation (ISFSI) and 25 “sister rods”—9 SNF rods that were removed from the fuel assemblies prior to insertion to the ISFSI and 16 SNF rods removed from similar HBU assemblies. The sister rods provide a baseline of the condition of the HBU rods before loading, drying, and long-term dry storage. The project assemblies will be inspected after 10 years, and the physical state of the stored rods will be compared with the condition of the sister rods to identify any changes in physical properties during the dry storage period. Our report focuses on key results from the nondestructive postirradiation examinations of the sister rods and summarizes the results of detailed visual examinations, gamma scans, dimensional measurements, and eddy current liftoff measurements of the combined Chalk River unidentified deposits and oxide layer on the waterside surface of the rod. Additionally the data are used to calculate fuel rod and pellet stack growth rates, estimated remaining fuel rod plenum volumes, and the percentage change in fuel rod cladding diameter.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Simulated Performance of the Micro-Pocket Fission Detector in the Advanced Test Reactor Critical Facility
The Micro-Pocket Fission Detector (MPFD) is a small-form–factor real-time fission chamber. MPFD performance has been simulated in the Advanced Test Reactor Critical Facility (ATRC), located at Idaho National Laboratory (INL). Here, the neutron and gamma-ray flux profiles and magnitudes were simulated using Monte Carlo N-Particle (MCNP) in the near-core B-8 irradiation position. These simulations were performed at 69 discrete axial locations inside the B-8 position for three separate orientations of the nearby hafnium outer shim control cylinders and at a power level of 700 Wth. The resulting neutron and gamma-ray flux values were used to determine the MPFD response for various fissile masses and detector gas pressures. The optimal gas-operating pressure was determined to be between 30 and 60 psig. The required fissile-layer mass was determined to be between 1–2 µg of 235 U. Additionally, the gamma-ray to fission-fragment interaction rate was determined to be 4.42 × 10 -3 with average energy deposition for gamma rays and fission fragments in 30 psig argon gas to be 1 keV and 9.5 MeV, respectively.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Microfluidics-based separation of actinium-225 from radium-225 for medical applications
Separation of 225 Ra (t 1/2 = 15 d) from its daughter isotope 225 Ac (t 1/2 = 10 d) is necessary to obtain pure 225 Ac for cancer alpha-therapy. In this study, microscale separation of 225 Ra from its daughter 225 Ac using BioRad AG50X4 cation exchange resin was achieved with good reproducibility across microdevices, and ≥90% purity was achieved for 225 Ac, which is comparable to conventional chromatography. These results indicate the potential for greater use of microfluidics for biomedical radiochemistry. The modularity of the system and its compatibility with different resins allows for quick and easy adaptation to the various needs of a separation campaign.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Trends and Variability in Sea Ice and Icebergs off the Canadian East Coast
Seasonal time series of sea-ice area or extent in several regions along the east coast of Canada were compiled from several sources for the period 1901 to 2013 and compared with an index of ice extent off southwest Greenland, iceberg season length south of 48°N, air temperature, and other climate indices. Trends in winter ice area and iceberg season length are significant over the past 100 years and 30 years. Variability of winter ice area and iceberg season length is associated with a combination of the North Atlantic Oscillation (NAO) and the Atlantic Multidecadal Oscillation (AMO) indices superimposed on a negative trend. Thus, large declines in ice area and iceberg season length in the 1920s and 1990s can be attributed to a decreasing NAO index and a shift to the positive phase of the AMO at the end of these decades. Ice extent in southern areas such as the Scotian Shelf is more strongly correlated with the Western Atlantic index than with the NAO. Ice area trends (in percent per decade) are larger in magnitude and account for twice as much of the variance in ice area for summer than for winter, with summer trends significant over 30-, 60- and 100-year periods. Sea-ice variability is generally consistent with air temperature variability in the various regions; in the 1930s, during the early twentieth-century warming period, ice anomalies were higher and temperature anomalies were lower along the coast of eastern Canada than along the coast of southwestern Greenland.
Meteorology & Atmospheric Sciences↗
Synchrotron Radiation and Neutrons in Art and Archaeology (SR2A) Conference 2016
Here, the seventh edition of the international conference on Synchrotron Radiation and Neutrons in Art and Archaeology (SR2A 2016) was held September 6–8, 2016, at the Stock Exchange Room of The Art Institute of Chicago, USA. The conference was jointly organized by seven research laboratories and museums; more precisely, the Center for Scientific Studies in the Arts (NU-ACCESS) of Northwestern University, the Art Institute of Chicago, the Field Museum Chicago, the Advanced Photon Source (APS), the Oriental Institute Chicago, the Detroit Institute of Arts, and the Indianapolis Museum of Art, in close interaction with the SR2A International Committee. Nine years after the organization of the first SR2A conference in Grenoble, the Art Institute hosted the second biennial interdisciplinary meeting in the US.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Signal processing techniques for filtering acoustic emission data in prestressed concrete
Not provided.
Materials Science↗
Regional Economic Impacts of the Los Angeles 100% Renewable Energy Transition
To help mitigate greenhouse gas (GHGs) generation from burning fossil fuels, many state and local governments are requiring utilities to dramatically increase the share of electricity generated from renewable sources. The City of Los Angeles has set a target of 100% renewable energy by 2045 and has formulated a plan that considers nine potential alternative scenarios that differ by technology, location, and timing. Each scenario has a unique set of local investments, operating and maintenance (O&M) costs, and concomitant rate structures. In this study we develop and apply a computable general equilibrium (CGE) model built specifically for LA to estimate and compare the economic impacts for each of the scenarios over time relative to a reference case. We find differences in economic impacts across scenarios, depending on the level and timing of investment and O&M expenditures, as well as differences in the relative rate changes across scenarios. Results show that employment and economic output are positively correlated with greater capital and O&M spending, while higher electricity rates can dampen economic activity. Several scenarios generate positive economic impacts relative to the reference case, showing that the transition need not have harmful economic impacts, and all scenarios generate a number of other positive co-benefits, such as reduced damage to health from the reduction of ordinary air pollutants. The net employment impacts from 2026 to 2045 across the scenarios range from a low of 3,600 job-year losses annually to 4,700 job-year gains, both around only 0.1% of the baseline average annual employment in the city over that period. The analysis also indicates that lower-income households are relatively more affected than others by the scenarios. Overall, even in the most negatively impactful case, the economic output and employment effects are quite small when taken in the context of the overall size of the regional economy and the large reduction in GHGs.
economic impact modeling↗
Iterative self-organizing SCEne-LEvel sampling (ISOSCELES) for large-scale building extraction
Convolutional neural networks (CNN) provide state-of-the-art performance in many computer vision tasks, including those related to remote-sensing image analysis. Successfully training a CNN to generalize well to unseen data, however, requires training on samples that represent the full distribution of variation of both the target classes and their surrounding contexts. With remote sensing data, acquiring a sufficiently representative training set is a challenge due to both the inherent multi-modal variability of satellite or aerial imagery and the general high cost of labeling data. To address this challenge, we have developed ISOSCELES, an Iterative Self-Organizing SCEne LEvel Sampling method for hierarchical sampling of large image sets. Using affinity propagation, ISOSCELES automates the selection of highly representative training images. Compared to random sampling or using available reference data, the distribution of the training is principally data driven, reducing the chance of oversampling uninformative areas or undersampling informative ones. In comparison to manual sample selection by an analyst, ISOSCELES exploits descriptive features, spectral and/or textural, and eliminates human bias in sample selection. Using a hierarchical sampling approach, ISOSCELES can obtain a training set that reflects both between-scene variability, such as in viewing angle and time of day, and within-scene variability at the level of individual training samples. We verify the method by demonstrating its superiority to stratified random sampling in the challenging task of adapting a pre-trained model to a new image and spatial domain for country-scale building extraction. Using a pair of hand-labeled training sets comprising 1,987 sample image chips, a total of 496,000,000 individually labeled pixels, we show, across three distinct model architectures, an increase in accuracy, as measured by F1-score, of 2.2–4.2%.
42 ENGINEERING↗
Electricity consumption patterns within cities: application of a data-driven settlement characterization method
Urban areas presently consume around 75% of global primary energy supply, which is expected to significantly increase in the future due to urban growth. Having sustainable, universal energy access is a pressing challenge for most parts of the globe. Understanding urban energy consumption patterns may help to address the challenges to urban sustainability and energy security. However, urban energy analyses are severely limited by the lack of urban energy data. Such datasets are virtually non-existent for the developing countries. As per current projections, most of the new urban growth is bound to occur in these data-starved regions. Hence, there is an urgent need of research methods for monitoring and quantifying urban energy utilization patterns. Here, we apply a data-driven approach to characterize urban settlements based on their formality, which is then used to assess intra-urban urban energy consumption in Johannesburg, South Africa; Sana’a, Yemen; and Ndola, Zambia. Electricity is the fastest growing energy fuel. By analyzing the relationship between the settlement types and the corresponding nighttime light emission, a proxy of electricity consumption, we assess the differential electricity consumption patterns. Our study presents a simple and scalable solution to fill the present data void to understand intra-city electricity consumption patterns.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NEBULAR ATTENUATION IN H{alpha}-SELECTED STAR-FORMING GALAXIES AT z = 0.8 FROM THE NewH{alpha} SURVEY
We present measurements of the dust attenuation of H{alpha}-selected emission-line galaxies at z = 0.8 from the NewH{alpha} narrowband survey. The analysis is based on deep follow-up spectroscopy with Magellan/IMACS, which captures the strong rest-frame optical emission lines from [O II] {lambda}3727 to [O III] {lambda}5007. The spectroscopic sample used in this analysis consists of 341 confirmed H{alpha} emitters. We place constraints on the active galactic nucleus (AGN) fraction using diagnostics that can be applied at intermediate redshift. We find that at least 5% of the objects in our spectroscopic sample can be classified as AGNs and 2% are composite, i.e., powered by a combination of star formation and AGN activity. We measure the dust attenuation for individual objects from the ratios of the higher order Balmer lines. The H{beta} and H{gamma} pair of lines is detected with S/N > 5 in 55 individual objects and the H{beta} and H{delta} pair is detected in 50 individual objects. We also create stacked spectra to probe the attenuation in objects without individual detections. The median attenuation at H{alpha} based on the objects with individually detected lines is A(H{alpha}) = 0.9 {+-} 1.0 mag, in good agreement with the attenuation found in local samples of star-forming galaxies. We find that the z = 0.8 galaxies occupy a similar locus of attenuation as a function of magnitude, mass, and star formation rate (SFR) as a comparison sample drawn from the SDSS DR4. Both the results from the individual z = 0.8 galaxies and from the stacked spectra show consistency with the mass-attenuation and SFR-attenuation relations found in the local universe, indicating that these relations are also applicable at intermediate redshift.
79 ASTRONOMY AND ASTROPHYSICS↗
The relationship between stellar mass, gas metallicity, and star formation rate for Hα-selected galaxies at z ≈ 0.8 from the NewHα survey
Using a sample of 299 Hα-selected galaxies at z≈0.8, we study the relationship between galaxy stellar mass, gas-phase metallicity, and star formation rate (SFR), and compare to previous results. We use deep optical spectra obtained with the IMACS spectrograph at the Magellan telescope to measure strong oxygen lines. We combine these spectra and metallicities with (1) rest-frame UV-to-optical imaging, which allows us to determine stellar masses and dust attenuation corrections, and (2) Hα narrowband imaging, which provides a robust measurement of the instantaneous SFR. Our sample spans stellar masses of ∼10{sup 9}–6 × 10{sup 11} M{sub ⊙}, SFRs of 0.4–270 M{sub ⊙} yr{sup −1}, and metal abundances of 12+log(O/H)≈8.3–9.1 (≈0.4–2.6 Z{sub ⊙}). The correlations that we find between the Hα-based SFR and stellar mass (i.e., the star-forming “main sequence”) and between the stellar mass and metallicity are both consistent with previous z∼1 studies of star-forming galaxies. We then study the relationship between the three properties using various plane-fitting techniques and a curve-fitting projection. In all cases, we exclude strong dependence of the M{sub ⋆}–Z relation on SFR, but are unable to distinguish between moderate and no dependence. Our results are consistent with previous mass–metallicity–SFR studies. We check whether data set limitations may obscure a strong dependence on the SFR by using mock samples drawn from the Sloan Digital Sky Survey. These experiments reveal that the adopted signal-to-noise ratio cuts may have a significant effect on the measured dependence. Further work is needed to investigate these results, and to test whether a “fundamental metallicity relation” or a “fundamental plane” describes star-forming galaxies across cosmic time.
79 ASTRONOMY AND ASTROPHYSICS↗
APOSTLE: LONGTERM TRANSIT MONITORING AND STABILITY ANALYSIS OF XO-2b
The Apache Point Survey of Transit Lightcurves of Exoplanets (APOSTLE) observed 10 transits of XO-2b over a period of 3 yr. We present measurements that confirm previous estimates of system parameters like the normalized semi-major axis (a/R{sub *}), stellar density ({rho}{sub *}), impact parameter (b), and orbital inclination (i{sub orb}). Our errors on system parameters like a/R{sub *} and {rho}{sub *} have improved by {approx}40% compared to previous best ground-based measurements. Our study of the transit times show no evidence for transit timing variations (TTVs) and we are able to rule out co-planar companions with masses {>=}0.20 M{sub Circled-Plus} in low order mean motion resonance with XO-2b. We also explored the stability of the XO-2 system given various orbital configurations of a hypothetical planet near the 2:1 mean motion resonance. We find that a wide range of orbits (including Earth-mass perturbers) are both dynamically stable and produce observable TTVs. We find that up to 51% of our stable simulations show TTVs that are smaller than the typical transit timing errors ({approx}20 s) measured for XO-2b, and hence remain undetectable.
79 ASTRONOMY AND ASTROPHYSICS↗
Spitzer mid-IR spectroscopy of powerful 2Jy and 3CRR radio galaxies. II. AGN power indicators and unification
It remains uncertain which continuum and emission line diagnostics best indicate the bolometric powers of active galactic nuclei (AGNs), especially given the attenuation caused by the circumnuclear material and the possible contamination by components related to star formation. Here we use mid-IR spectra along with multiwavelength data to investigate the merit of various diagnostics of AGN radiative power, including the mid-IR [Ne III] λ25.89 μm and [O IV] λ25.89 μm fine-structure lines, the optical [O III] λ5007 forbidden line, and mid-IR 24 μm, 5 GHz radio, and X-ray continuum emission, for complete samples of 46 2Jy radio galaxies (0.05 < z < 0.7) and 17 3CRR FRII radio galaxies (z < 0.1). We find that the mid-IR [O IV] line is the most reliable indicator of AGN power for powerful radio-loud AGNs. By assuming that the [O IV] is emitted isotropically, and comparing the [O III] and 24 μm luminosities of the broad- and narrow-line AGNs in our samples at fixed [O IV] luminosity, we show that the [O III] and 24 μm emission are both mildly attenuated in the narrow-line compared to the broad-line objects by a factor of ≈2. However, despite this attenuation, the [O III] and 24 μm luminosities are better AGN power indicators for our sample than either the 5 GHz radio or the X-ray continuum luminosities. We also detect the mid-IR 9.7 μm silicate feature in the spectra of many objects but not ubiquitously: at least 40% of the sample shows no clear evidence for these features. We conclude that, for the majority of powerful radio galaxies, the mid-IR lines are powered by AGN photoionization.
79 ASTRONOMY AND ASTROPHYSICS↗
A highly sensitive x-ray imaging modality for hepatocellular carcinoma detection in vitro
Innovations that improve sensitivity and reduce cost are of paramount importance in diagnostic imaging. The novel x-ray imaging modality called Spatial Frequency Heterodyne Imaging (SFHI) is based on a linear arrangement of x-ray source, tissue, and x-ray detector, much like that of a conventional x-ray imaging apparatus. However, SFHI rests on a complete paradigm reversal compared to conventional x-ray absorption-based radiology: while scattered x-rays are carefully rejected in absorption-based x-ray radiology to enhance the image contrast, SFHI forms images exclusively from x-rays scattered by the tissue. Here in this study we use numerical processing to produce x-ray scatter images of Hepatocellular Carcinoma (HCC) labeled with a nanoparticle contrast agent. We subsequently compare the sensitivity of SFHI in this application to that of both conventional x-ray imaging and Magnetic Resonance Imaging (MRI). Although SFHI is still in the early stages of its development, our results show that the sensitivity of SFHI is an order of magnitude greater than that of absorption-based x-ray imaging and approximately equal to that of MRI. Lastly, as x-ray imaging modalities typically have lower installation and service costs compared to MRI, SFHI could become a cost effective alternative to MRI, particularly in areas of the world with inadequate availability of MRI facilities.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
A model of early formation of uranium molecular oxides in laser-ablated plasmas
Here, in this work, we present a newly constructed U x O y reaction mechanism that consists of 30 reaction channels (21 of which are reversible channels) for 11 uranium molecular species (including ions). Both the selection of reaction channels and calculation of corresponding rate coefficients is accomplished via a comprehensive literature review and application of basic reaction rate theory. The reaction mechanism is supplemented by a detailed description of oxygen plasma chemistry (19 species and 142 reaction channels) and is used to model an atmospheric laser ablated uranium plume via a 0D (global) model. Finally, the global model is used to analyze the evolution of key uranium molecular species predicted by the reaction mechanism, and the initial stage of formation of uranium oxide species.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗