Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “PROXIMITY”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Data for Photoenzymatic Stereoablative Enantioconvergence of γ-chiral Oximes via Hydrogen Atom Transfer

Producing enantioenriched molecules from racemic mixtures is essential for manufacturing. Traditional methods such as resolution, deracemization and enantioconvergent catalysis primarily involve separating or converting enantiomers without altering their structures, or functionalization of stereocentres at or proximal to functional groups. However, there are challenges in enantioselectively forging C–H bonds that are remote from functional groups via hydrogen atom transfer (HAT) with these methods. Here we introduce a strategy for the photoenzymatic stereoablative enantioconvergence of γ-chiral oximes using repurposed flavin-dependent ene-reductases. A photoinduced single-electron reduction of the γ-chiral oxime by an ene-reductase generates an iminyl radical, which then undergoes stereoablative 1,5-HAT at the γ-stereocentre. Subsequent chiral reconstruction through enzymatic HAT and spontaneous imine hydrolysis yields the γ-chiral ketone with high enantioselectivity. This work provides a robust method for remote stereoablative enantioconvergent HAT and broadens the synthetic utility of photobiocatalysis.

Bioproducts↗
DOE OSTI2016

Effect of glycosylation on an immunodominant region in the V1V2 variable domain of the HIV-1 envelope gp120 protein

Heavy glycosylation of the envelope (Env) surface subunit, gp120, is a key adaptation of HIV-1; however, the precise effects of glycosylation on the folding, conformation and dynamics of this protein are poorly understood. Here we explore the patterns of HIV-1 Env gp120 glycosylation, and particularly the enrichment in glycosylation sites proximal to the disulfide linkages at the base of the surface-exposed variable domains. To dissect the influence of glycans on the conformation these regions, we focused on an antigenic peptide fragment from a disulfide bridge-bounded region spanning the V1 and V2 hyper-variable domains of HIV-1 gp120. We used replica exchange molecular dynamics (MD) simulations to investigate how glycosylation influences its conformation and stability. Simulations were performed with and without N-linked glycosylation at two sites that are highly conserved across HIV-1 isolates (N156 and N160); both are contacts for recognition by V1V2-targeted broadly neutralizing antibodies against HIV-1. Glycosylation stabilized the pre-existing conformations of this peptide construct, reduced its propensity to adopt other secondary structures, and provided resistance against thermal unfolding. Simulations performed in the context of the Env trimer also indicated that glycosylation reduces flexibility of the V1V2 region, and provided insight into glycan-glycan interactions in this region. These stabilizing effects were influenced by a combination of factors, including the presence of a disulfide bond between the Cysteines at 131 and 157, which increased the formation of beta-strands. Together, these results provide a mechanism for conservation of disulfide linkage proximal glycosylation adjacent to the variable domains of gp120 and begin to explain how this could be exploited to enhance the immunogenicity of those regions. Furthermore, these studies suggest that glycopeptide immunogens can be designed to stabilize the most relevant Env conformations to focus the immune response on key neutralizing epitopes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Levels of Cholesterol in Small LDL Particles Predict Atherosclerosis Progression and Incident CHD in the HDL-Atherosclerosis Treatment Study (HATS)

Test whether angiographically-documented changes in percent stenosis and clinical endpoints (coronary-related deaths, myocardial infarctions, stroke, revascularization for worsening ischemia) in the HDL-Atherosclerosis Treatment Study (HATS) were attributable to specific LDL-subclasses. Gradient gel electrophoresis of on-study LDL-subclass cholesterol concentrations were measured in 32 placebo, 33 simvastatin-niacin, 38 antioxidant, and 39 simvastatin-niacin & antioxidant treated participants. The prespecified primary end point was the mean change per patient from the initial arteriogram to the final arteriogram in the percent stenosis caused by the most severe lesion in each of the nine proximal coronary segments. The change in the percent stenosis of the most severe proximal lesions increased in association with higher concentrations of the small LDL subfractions LDL-IIIb (24.2–24.6 nm) and LDL-IVa (23.3–24.1 nm) before (both P = 0.002) and after (P = 0.01 and P = 0.03 respectively) adjustment for treatment group and on-study HDL-cholesterol, LDL-cholesterol, and triglyceride concentrations. The associations appeared specific to lesions with ,30% baseline stenosis. When adjusted for age, sex, baseline BMI and cigarette use, the odds for primary clinical endpoints (death from coronary causes, nonfatal myocardial infarction, stroke, or revascularization for worsening ischemia) were significantly greater in subjects with higher on-study LDL-IIIb levels both before (P = 0.01) and after (P = 0.03) adjustment for treatment group and the standard lipid values. Plasma LDL-IIIb cholesterol concentrations were related to changes in coronary artery stenosis and cardiovascular events in patients with coronary artery disease and low HDL-cholesterol.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

The HIP2~Ubiquitin Conjugate Forms a Non-Compact Monomeric Thioester during Di-Ubiquitin Synthesis

Polyubiquitination is a post-translational event used to control the degradation of damaged or unwanted proteins by modifying the target protein with a chain of ubiquitin molecules. One potential mechanism for the assembly of polyubiquitin chains involves the dimerization of an E2 conjugating enzyme allowing conjugated ubiquitin molecules to be put into close proximity to assist reactivity. HIP2 (UBE2K) and Ubc1 (yeast homolog of UBE2K) are unique E2 conjugating enzymes that each contain a C-terminal UBA domain attached to their catalytic domains, and they have basal E3-independent polyubiquitination activity. Although the isolated enzymes are monomeric, polyubiquitin formation activity assays show that both can act as ubiquitin donors or ubiquitin acceptors when in the activated thioester conjugate suggesting dimerization of the E2-ubiquitin conjugates. Stable disulfide complexes, analytical ultracentrifugation and small angle x-ray scattering were used to show that the HIP2-Ub and Ubc1-Ub thioester complexes remain predominantly monomeric in solution. Models of the HIP2-Ub complex derived from SAXS data show the complex is not compact but instead forms an open or backbent conformation similar to UbcH5b~Ub or Ubc13~Ub where the UBA domain and covalently attached ubiquitin reside on opposite ends of the catalytic domain. Activity assays showed that full length HIP2 exhibited a five-fold increase in the formation rate of di-ubiquitin compared to a HIP2 lacking the UBA domain. This difference was not observed for Ubc1 and may be attributed to the closer proximity of the UBA domain in HIP2 to the catalytic core than for Ubc1.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Evaluation of 6-OxP-CD, an Oxime-based cyclodextrin as a viable medical countermeasure against nerve agent poisoning: Experimental and molecular dynamic simulation studies on its inclusion complexes with cyclosarin, soman and VX

The ability of the cyclodextrin-oxime construct 6-OxP-CD to bind and degrade the nerve agents Cyclosarin (GF), Soman (GD) and S -[2-[Di(propan-2-yl)amino]ethyl] O -ethyl methylphosphonothioate (VX) has been studied using 31 P-nuclear magnetic resonance (NMR) under physiological conditions. While 6-OxP-CD was found to degrade GF instantaneously under these conditions, it was found to form an inclusion complex with GD and significantly improve its degradation (t 1/2 ~ 2 hrs) relative over background (t 1/2 ~ 22 hrs). Consequently, effective formation of the 6-OxP-CD:GD inclusion complex results in the immediate neutralization of GD and thus preventing it from inhibiting its biological target. In contrast, NMR experiments did not find evidence for an inclusion complex between 6-OxP-CD and VX, and the agent’s degradation profile was identical to that of background degradation (t 1/2 ~ 24 hrs). As a complement to this experimental work, molecular dynamics (MD) simulations coupled with Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) calculations have been applied to the study of inclusion complexes between 6-OxP-CD and the three nerve agents. These studies provide data that informs the understanding of the different degradative interactions exhibited by 6-OxP-CD with each nerve agent as it is introduced in the CD cavity in two different orientations (up and down). For its complex with GF, it was found that the oxime in 6-OxP-CD lies in very close proximity (P GF …O Oxime ~ 4–5 Å) to the phosphorus center of GF in the ‘down GF ’ orientation for most of the simulation accurately describing the ability of 6-OxP-CD to degrade this nerve agent rapidly and efficiently. Further computational studies involving the center of masses (COMs) for both components (GF and 6-OxP-CD) also provided some insight on the nature of this inclusion complex. Distances between the COMs (ΔCOM) lie closer in space in the ‘down GF ’ orientation than in the ‘up GF ’ orientation; a correlation that seems to hold true not only for GF but also for its congener, GD. In the case of GD, calculations for the ‘down GD ’ orientation showed that the oxime functional group in 6-OxP-CD although lying in close proximity (P GD …O Oxime ~ 4–5 Å) to the phosphorus center of the nerve agent for most of the simulation, adopts another stable conformation that increase this distance to ~ 12–14 Å, thus explaining the ability of 6-OxP-CD to bind and degrade GD but with less efficiency as observed experimentally (t 1/2 ~ 4 hr. vs. immediate). Lastly, studies on the VX:6-OxP-CD system demonstrated that VX does not form a stable inclusion complex with the oxime-bearing cyclodextrin and as such does not interact in a way that is conducive to an accelerated degradation scenario. Collectively, these studies serve as a basic platform from which the development of new cyclodextrin scaffolds based on 6-OxP-CD can be designed in the development of medical countermeasures against these highly toxic chemical warfare agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design

Among broadly neutralizing antibodies to HIV, 10E8 exhibits greater neutralizing breadth than most. Consequently, this antibody is the focus of prophylactic/therapeutic development. The 10E8 epitope has been identified as the conserved membrane proximal external region (MPER) of gp41 subunit of the envelope (Env) viral glycoprotein and is a major vaccine target. However, the MPER is proximal to the viral membrane and may be laterally inserted into the membrane in the Env prefusion form. Nevertheless, 10E8 has not been reported to have significant lipid-binding reactivity. Here we report x-ray structures of lipid complexes with 10E8 and a scaffolded MPER construct and mutagenesis studies that provide evidence that the 10E8 epitope is composed of both MPER and lipid. 10E8 engages lipids through a specific lipid head group interaction site and a basic and polar surface on the light chain. In the model that we constructed, the MPER would then be essentially perpendicular to the virion membrane during 10E8 neutralization of HIV-1. As the viral membrane likely also plays a role in selecting for the germline antibody as well as size and residue composition of MPER antibody complementarity determining regions, the identification of lipid interaction sites and the MPER orientation with regard to the viral membrane surface during 10E8 engagement can be of great utility for immunogen and therapeutic design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Washington Geothermal Play Fairway Analysis Heat, Permeability, and Fracture Model Data

This submission contains raster and vector data for the entire state of Washington, with specific emphasis on the three geothermal play fairway sites: Mount St. Helens seismic zone (MSHSZ), Wind River valley (WRV), and Mount Baker (MB). Data are provided for 3 major geothermal models: heat, permeability, and fluid-filled fractures, and an additional infrastructure model. Both of the permeability and fluid-filled-fracture models are produced at 200 m and at 2 km depths; the heat model is only produced at the 200 m depth. Values are provided for both model favorability and model confidence. A combined model at 200m and 2 km depths is provided for favorability, confidence, and exploration risk. Raster data are provided in GeoTiff format and have a statewide coverage. Cell size is 104.355 ft; file type is unsigned 8-bit integer (0-255); 0 represents no favorability or confidence; 255 represents maximum favorability or confidence. The NAD83(HARN)/Washington South (ftUS) projection is used (EPSG:2927). Vector data are provided in shapefile or comma-delimited text file formats. Geographic coordinates, where provided, are in WGS84. A readme file accompanies each folder and provides an overview and description of the enclosed data. The heat model combines 5 intermediate raster layers (which are included in the download package): temperature gradient wells, young volcanic vents, hot springs, young intrusive volcanic rocks, and geothermometry. The permeability model combines 8 intermediate raster layers: density of mapped faults, 2D dilation tendency of mapped faults, 2D slip tendency of mapped faults, seismicity, 3D dilation tendency, 3D slip tendency, 3D maximum coulomb shear stress, and 3D slip gradients. The fluid-filled fracture model combines up to 4 intermediate rasters: resistivity from magneto-telluric 3D inversions, seismicity, Vp/Vs anomalies from passive seismic tomography, and Vs anomalies from ambient-noise tomography. A statewide infrastructure model is also provided that formalizes land-use constraints and restrictions relevant for geothermal prospecting and development. This model combines 10 intermediate rasters: areas off limits to drilling, existing or proposed geothermal leases, DNR-owned land, land-use restrictions along the Columbia River Gorge, areas inundated by water, availability of potential process water, proximity to existing roads, proximity to transmission lines, distance from urban areas, and snow-related elevation restrictions. Supporting vector data for the development of each raster layer is provided. For details on the areas of interest and modeling process please see the 'WA_State_Play_Fairway_Phase_2_Technical_Report' in the download package.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

More Than 40 yr of Potentially Induced Seismicity Close to the San Andreas Fault in San Ardo, Central California

Evidence for fluid–injection–induced seismicity is rare in California hydrocarbon basins, despite widespread injection close to seismically active faults. We investigate a potential case of injection–induced earthquakes associated with San Ardo oilfield operations that began in the early 1950s. The largest potentially induced events occurred in 1955 (M L 5.2) and 1985 (M w 4.5) within ~6 km from the oilfield. We analyze Synthetic Aperture Radar interferometric images acquired by Sentinel–1A/B satellites between 2016 and 2020 and find surface deformation of up to 1.5 cm/yr, indicating pressure–imbalance in parts of the oilfield. Fluid injection in San Ardo is concentrated within highly permeable rocks directly above the granitic basement at a depth of ~800 m. Seismicity predominantly occurs along basement faults at 6–13 km depths. Seismicity and wastewater disposal wells are spatially correlated to the north of the oilfield. Temporal correlations are observed over more than 40 yr with correlation coefficients of up to 0.71 for seismicity within a 24 km distance from the oilfield. Such large distances have not previously been observed in California but are similar to the large spatial footprint of injection in Oklahoma. Furthermore, the San Ardo seismicity shows anomalous clustering with earthquakes consistently occurring at close spatial proximity but long interevent times. Similar clustering has previously been reported in California geothermal fields and may be indicative of seismicity driven by long–term, spatially persistent external forcing.

58 GEOSCIENCES↗
DOE OSTI2022

Basin Management of Geologic CO2 Storage: Effect of Well Spacing on CO2 Plume and Pressure Interference

This is the conference paper accompanying an oral presentation made at the Society of Petroleum Engineers (SPE) Western Regional Meeting (WRM) held in Bakersfield, California, April 26–28, 2022. The paper provides the results of a basin-scale CO2 storage modeling project investigating subsurface pressure interference among CO2 injection wells located in proximity to each other.

Wijaya, Nur↗
DOE OSTI2014

Structural and Dynamical Relationships of Ca 2+ and H 2 O in Smectite/ 2 H 2 O Systems

We present an X-ray diffraction and multi-nuclear ( 2 H and 43 Ca) NMR study of Ca-exchanged hectorite (a smectite clay) that provides important new insight into molecular behavior at the smectite-H 2 O interface. Variable-temperature 43 Ca MAS NMR and controlled humidity XRD indicate that Ca 2+ occurs as proximity-restricted outer-sphere hydration complexes between –120 and +25 °C in a two-layer hydrate and at T ≤ –50 °C in a 2:1 water/solid paste. Changes in the 43Ca NMR peak width and position with temperature are more onsistent with diffusion-related processes than with dynamics involving metal-surface interactions such as site exchange. The 2 H NMR signal between –50 and +25 °C for a two-layer hydrate of Ca-hectorite is similar to that of Na- and other alkali metal hectorites and represents 2 H 2 O molecules experiencing anisotropic motion describable using the 2 H C 2 /C 3 jump model we proposed previously. 2 H T 1 relaxation results for Ca- and Na-hectorite are well fit with a fast-exchange limit, rotational diffusion model for 2 H 2 O dynamics, yielding GHz-scale rotational reorientation rates compatible with the C 3 component of the C 2 /C 3 hopping model. The apparent activation energy for 2 H 2 O rotational diffusion in the two-layer hydrate is greater for Ca-hectorite than Na-hectorite (25.1 vs. 21.1 kJ/mol), consistent with the greater affinity of Ca 2+ for H 2 O. The results support the general principle that the dynamic mechanisms of proximity-restricted H 2 O are only weakly influenced by the cation in alkali metal and alkaline earth metal smectites and provide critical evidence that the NMR resonances of charge-balancing cations in smectites become increasingly influenced by diffusion-like dynamic processes at low temperatures as the charge density of the unhydrated cation increases.

2H NMR↗
DOE OSTI2021

Wyoming CarbonSAFE: Advancing Commercialization of Low-Carbon Energy Technologies in Fossil-Rich Wyoming

Wyoming’s Powder River Basin (PRB) is the most prolific coal producer and exporter in the United States and the State of Wyoming’s largest oil-producing basin. In addition to being a leading energy producer, the PRB is the site of research programs whose aim is to develop and integrate low-carbon technologies into existing fossil fuel energy industries. Much of the PRB’s low-carbon research is focused around Dry Fork Station (DFS), which is the newest coal-fired power station in the western US. Currently, DFS hosts five carbon capture projects, including pilot-scale capture projects that utilize different capture technologies and a full front-end engineering and design (FEED) study, a commercial CO 2 pipeline for nearby CO 2 -enhanced oil recovery industry, and is also co-located with the Wyoming Integrated Test Center, which is a host facility for unconventional carbon utilization research (i.e. flue gas carbon-to-products innovations). DFS is also the host site for the Wyoming CarbonSAFE project. Wyoming CarbonSAFE, funded by the Department of Energy/National Energy Technology Laboratory, is a multi-phased program (currently in Phase II) whose core objective is developing and validating storage sites within a complex capable of storing 50 million metric tonnes of CO 2 over a 30 year project period using carbon capture, utilization and storage (CCUS). This paper will provide an overview of the project to-date, showing that CarbonSAFE goals are achievable with respect to geologic, environmental, regulatory, CO 2 source and economic conditions, and why the State of Wyoming offers one of the more favorable environments to advance the commercialization studies. In 2019, the project team designed and completed a ~10,000 foot stratigraphic test well just south of DFS. From this well, the team collected over 600 feet of core, fluid samples from target injection zones, and a full petrophysical log suite. In addition, legacy 2D seismic lines were acquired and a 3D seismic survey was acquired in the fall of 2020. The objective of these field activities has been to identify and characterize target storage reservoirs and associated caprock. This complex has several reservoirs that could meet commercial injection goals, and over 4000 feet of associated caprock. Simulations of site performance suggest that stacked injection provides the most effective storage strategy, and would necessitate several sites within the greater complex to meet final project injection goals. Other work within this project includes the development of a business-case around proximal fields with CO 2 -enhanced oil recovery potential and existing tax credits, assessment of regulatory conditions, including pore space ownership and Class VI injection well permitting requirements, implementation of a robust public outreach Electronic copy available at: https://ssrn.com/abstract=3821220 GHGT-15 McLaughlin 2 program, and surface site characterization activities that have focused on environmental factors. In the PRB and at DFS, the State of Wyoming and other entities have made carbon management a priority of its future energy industry by providing a regulatory and business framework that is favorable to advancing these technologies. These endeavors will become more realistic with the successful implementation of Wyoming CarbonSAFE, and its ability to secure and validate commercial-scale CCUS at the center of Wyoming’s premier low-carbon research efforts.

McLaughlin, Fred↗
DOE OSTI2012

Updated Application of Spatial Data Modeling and Geographical Information Systems (GIS) for Identification of Potential Siting Options for Small Modular Reactors

Beginning in late 2008, Oak Ridge National Laboratory (ORNL) responded to ongoing internal and external studies addressing key questions related to our national electrical energy supply. This effort has led to the development and refinement of Oak Ridge Siting Analysis for power Generation Expansion (OR-SAGE), a tool to support power plant siting evaluations. The objective in developing OR-SAGE was to use industry-accepted approaches and/or develop appropriate criteria for screening sites and employ an array of geographic information systems (GIS) data sources at ORNL to identify candidate areas for a power generation technology application. The basic premise requires the development of exclusionary, avoidance, and suitability criteria for evaluating sites for a given siting application such as siting small modular reactors (SMRs). For specific applications of the tool, it is necessary to develop site selection and evaluation criteria (SSEC) that encompass a number of key benchmarks that essentially form the site environmental characterization for that application. These SSEC might include population density, seismic activity, proximity to water sources, proximity to hazardous facilities, avoidance of protected lands and floodplains, susceptibility to landslide hazards, and others.

GIS↗
DOE OSTI2013

Site Suitability and Hazard Assessment Guide for Small Modular Reactors

Commercial nuclear reactor projects in the U.S. have traditionally employed large light water reactors (LWR) to generate regional supplies of electricity. Although large LWRs have consistently dominated commercial nuclear markets both domestically and abroad, the concept of small modular reactors (SMRs) capable of producing between 30 MW(t) and 900 MW(t) to generating steam for electricity is not new. Nor is the idea of locating small nuclear reactors in close proximity to and in physical connection with industrial processes to provide a long-term source of thermal energy. Growing problems associated continued use of fossil fuels and enhancements in efficiency and safety because of recent advancements in reactor technology suggest that the likelihood of near-term SMR technology(s) deployment at multiple locations within the United States is growing. Many different types of SMR technology are viable for siting in the domestic commercial energy market. However, the potential application of a particular proprietary SMR design will vary according to the target heat end-use application and the site upon which it is proposed to be located. Reactor heat applications most commonly referenced in connection with the SMR market include electric power production, district heating, desalinization, and the supply of thermal energy to various processes that require high temperature over long time periods, or a combination thereof. Indeed, the modular construction, reliability and long operational life purported to be associated with some SMR concepts now being discussed may offer flexibility and benefits no other technology can offer. Effective siting is one of the many early challenges that face a proposed SMR installation project. Site-specific factors dealing with support to facility construction and operation, risks to the plant and the surrounding area, and the consequences subsequent to those risks must be fully identified, analyzed, and possibly mitigated before a license will be granted to construct and operate a nuclear facility. Examples of significant site-related concerns include area geotechnical and geological hazard properties, local climatology and meteorology, water resource availability, the vulnerability of surrounding populations and the environmental to adverse effects in the unlikely event of radionuclide release, the socioeconomic impacts of SMR plant installation and the effects it has on aesthetics, proximity to energy use customers, the topography and area infrastructure that affect plant constructability and security, and concerns related to the transport, installation, operation and decommissioning of major plant components.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Review of Graph Databases for Big Data Dynamic Entity Scoring

Modeling data as a graph enables users to quickly analyze networked phenomenon, such as social network-based marketing data (e.g., linking entities in social media based on their friends and their "likes", their friend-of-a-friend's "likes", etc.) and scientific data, such as in biology to assess a gene's proximity in a graph to particular disease phenotype. Numerous purpose-built graph databases (DBs) called “NoSQL” or “Not Only SQL” DBs are emerging to support this type of graph analysis. These DBs differ from traditional relational DBs in that they are optimized to improve storage and query performance across large, complex graphs. This document reviews the state of the art in graph DBs and identifies potential DBs that show promise for dynamic entity-scoring algorithms. Dynamic entity scoring is a new area of research that allows analysis of data within graphs using undirected methods to weigh the edges of the graph based on the proximity or ambient influence of near-by nodes. The EntityScore (eScore) methodology developed at Lawrence Livermore National Laboratory (LLNL) is one application of these emerging graph-analysis algorithms to help analysts identify and prioritize entities, based on complex, analyst-defined weighting criteria. Our review examines a wide range of different, well-known graph DBs in use since at least 2010 and identifies unique advantages and disadvantages that may impact eScore-specific requirements. Specifically, we review data structures employed, query features employed, load times, query calculation times, memory usage and several other important attributes reported in the literature. We limited our considerations for eScore to Blueprints-compliant graph DBs (https://github.com/tinkerpop/blueprints/) because they provide a standard, java application programming interface (API) based on the property graph model.

42 ENGINEERING↗
DOE OSTI2015

Supplementary Feeding, Plumage Documentation and Early Season Prey of Peregrine Falcons at the New Mexico Alpha Eyrie

A review of what is known about avian physiology and the biological effects of DDE suggests that some benefit to peregrine falcon egg condition could be attained by artificially feeding DDE free prey to the female from the time of her arrival on the nesting grounds until completion of egg laying; the magnitude of potential benefit is unknown. Sporadic efforts in the past demonstrated the need for precision methods of prey delivery. Two methods were developed and tried; providing dead prey items by dropping them in a day perch, and delivery of live prey by remotely controlled release from compartments positioned at the top of the cliff occupied by the falcons. Maintaining quail in the day perch for 21 days resulted in at least one and probably two meals for the female peregrine. Of 16 live birds released (mostly pigeons) 13 were pursued and three caught. Blinding the pigeons with tape proved to be necessary to enable capture. Also, some reluctance of the male peregrine to attack pigeons was observed, and problems with equipment, visibility, and the proximity of the falcons to the release box were encountered. Manpower was the most significant resource requirement. Baiting of great-horned owls, possibly leading to owl attack on the falcons, is judged to be the largest detrimental effect of supplemental feeding. It is recommended that supplemental feeding be reserved for falcons or eyries where complete reproductive failure is expected. Plumage documentation photography was successfully conducted by a remotely controlled camera as an aid to identification of individual falcons. American robin, red-winged blackbird, starling, white-throated swift, bluebird, and mourning dove were among natural prey consumed by the peregrines before completion of egg laying. All activities in close proximity to the cliff were conducted at night to preclude direct disturbance of the falcons.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Multicomponent Protein Cage Architectures for Photocatalysis

The primary goal of the project was to develop protein-templated approaches for the synthesis and directed assembly of semiconductor nanomaterials that are efficient for visible light absorption and hydrogen production. In general, visible-light-driven photocatalysis reactions exhibit low quantum efficiency for solar energy conversion primarily because of materials-related issues and limitations, such as the control of the band gap, band structure, photochemical stability, and available reactive surface area of the photocatalyst. Synthesis of multicomponent hierarchical nano-architectures, consisting of semiconductor nanoparticles (NPs) with desired optical properties fabricated to maximize spatial proximity for optimum electron and energy transfer represents an attractive route for addressing the problem. Virus capsids are highly symmetrical, self-assembling protein cage nanoparticles that exist in a range of sizes and symmetries. Selective deposition of inorganic, by design, at specific locations on virus capsids affords precise control over the size, spacing, and assembly of nanomaterials, resulting in uniform and reproducible nano-architectures. We utilized the self-assembling capabilities of the 420 subunit, 60 nm icosahedral, P22 virus capsid to direct the nucleation, growth, and proximity of a range of component materials. Controlled fabrication on the exterior of the temperature stable shell was achieved by genetically encoding specific binding peptides into an externally exposed loop which is displayed on each of the 420 coat protein subunits. Localization of complimentary materials to the interior of the particle was achieved through the use “scaffolding-fusion proteins. The scaffolding domain drives coat protein polymerization resulting in a coat protein shell surrounding a core of approximately 300 scaffolding/fusion molecules. The fusion domain comprises a peptide which specifically binds the semiconductor material of interest.

08 HYDROGEN↗
DOE OSTI2016

Threat Identification Parameters for a Stolen Category 1 Radioactive Source

Radioactive sources are used very widely for research and practical applications across medicine, industry, government, universities, and agriculture. The risks associated with these sources vary widely depending on the specific radionuclide used to make the source, source activity, and its chemical and physical form. Sources are categorized by a variety of classification schemes according to the specific risk they pose to the public. This report specifically addresses sources that are classified in the highest category for health risk (category 1). Exposure to an unshielded or lightly shielded category 1 source is extremely dangerous to life and health and can be fatal in relatively short exposure times measured in seconds to minutes. A Category 1 source packaged according to the guidelines dictated by the NRC and U.S. Department of Transportation will typically be surrounded by a large amount of dense shielding material, but will still exhibit a significant dose rate in close proximity. Detection ranges for Category 1 gamma ray sources can extend beyond 5000 ft, but will depend mostly on the source isotope and activity, and the level of shielding around the source. Category 1 sources are easy to detect, but difficult to localize. Dose rates in proximity to an unshielded Category 1 source are extraordinarily high. At distances of a few hundred feet, the functionality of many commonly used handheld instruments will be extremely limited for both the localization and identification of the source. Radiation emitted from a Category 1 source will scatter off of both solid material (ground and buildings) and the atmosphere, a phenomenon known as skyshine. This scattering affects the ability to easily localize and find the source.

07 ISOTOPE AND RADIATION SOURCES↗