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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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At least 577 records · Page 32

Expansion of the tmRNA sequence database and new tools for search and visualization

Abstract Transfer–messenger RNA (tmRNA) contributes essential tRNA-like and mRNA-like functions during the process of trans-translation, a mechanism of quality control for the translating bacterial ribosome. Proper tmRNA identification benefits the study of trans-translation and also the study of genomic islands, which frequently use the tmRNA gene as an integration site. Automated tmRNA gene identification tools are available, but manual inspection is still important for eliminating false positives. We have increased our database of precisely mapped tmRNA sequences over 50-fold to 97 179 unique sequences. Group I introns had previously been found integrated within a single subsite within the TψC-loop; they have now been identified at four distinct subsites, suggesting multiple founding events of invasion of tmRNA genes by group I introns, all in the same vicinity. tmRNA genes were found in metagenomic archaeal genomes, perhaps a result of misbinning of bacterial sequences during genome assembly. With the expanded database, we have produced new covariance models for improved tmRNA sequence search and new secondary structure visualization tools.

59 BASIC BIOLOGICAL SCIENCES↗

First-principles equation of state database for warm dense matter computation

We put together a first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional molecular dynamics simulations of the elements H, He, B, C, N, O, Ne, Na, Mg, Al, and Si as well as the compounds LiF , B 4 C , BN , CH 4 , CH 2 , C 2 H 3 , CH , C 2 H , MgO , and MgSiO 3 . For all these materials, we provide the pressure and internal energy over a density-temperature range from ~ 0.5 to 50 g cm - 3 and from ~ 10 4 to 10 9 K, which are based on ~ 5000 different first-principles simulations. We compute isobars, adiabats, and shock Hugoniot curves in the regime of L - and K -shell ionization. Invoking the linear mixing approximation, we study the properties of mixtures at high density and temperature. Furthermore, we derive the Hugoniot curves for water and alumina as well as for carbon-oxygen, helium-neon, and CH-silicon mixtures. We predict the maximal shock compression ratios of H 2 O , H 2 O 2 , Al 2 O 3 , CO , and CO 2 to be 4.61, 4.64, 4.64, 4.89, and 4.83, respectively. Finally we use the FPEOS database to determine the points of maximum shock compression for all available binary mixtures. We identify mixtures that reach higher shock compression ratios than their end members. We discuss trends common to all mixtures in pressure-temperature and particle-shock velocity spaces. In the Supplemental Material, we provide all FPEOS tables as well as computer codes for interpolation, Hugoniot calculations, and plots of various thermodynamic functions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Statistics on magnetic properties of Co compounds: A database-driven method for discovering Co-based ferromagnets

The search for new ferromagnetic compounds is often targeted at known structure families, particularly those containing iron, cobalt, and manganese. Here, we propose a method to expand this search to lesser-known structure types, using a database of experimental Curie and Néel temperatures. This study, in particular, illustrates the case of compounds containing the element cobalt, and we demonstrate how the use of such a database can lead to the discovery of ferromagnetic materials that had previously been overlooked. We report statistics from a literature survey of the magnetic properties of Co-based compounds with more than 33 at. % Co. We classify more than 13 000 compounds by structure type, cobalt content, and magnetic ground state. From these data, compounds TaCo 2 Ga, La 6 Co 13 Bi, and Nd 2 Co 3 were identified as potential ferromagnets, and we confirm their ferromagnetic ordering theoretically via first-principles calculations and experimentally via synthesis and characterization measurements. In addition, the analysis is focused on the collection of data trends and discovery of ferromagnetic materials with easy-axis magnetic anisotropy. Both known ferromagnetic materials with unknown magnetic anisotropy, and unstudied compounds were considered. From the subset of known ferromagnets with unknown anisotropy, the compound Co 2 Mg was synthesized, characterized, and determined to have easy-axis magnetic anisotropy at room temperature.

36 MATERIALS SCIENCE↗

Resources, Training, and Education Under the Heliostat Consortium: Industry Gap Analysis and Building a Resource Database

Concentrating solar power is not a widely deployed or known technology area, and the heliostat workforce community in the United States is currently small, with knowledge and expertise not widely available. The resource, training, and education (RTE) topic within the Heliostat Consortium (HelioCon) was established to address this. RTE encompasses resources, practices, and programs to ensure that (1) newcomers to the heliostat development community have an adequate knowledge base and training to conduct R&D efforts, (2) outsiders to the field are provided with resources and opportunities to join the workforce, and (3) the workforce community is a productive, healthy, and fulfilling environment for all workers. In the first year of the project, a roadmap study was conducted, in which the major gaps in RTE were identified by consulting experts in the industry, with the top gap being the lack of public accessibility to concentrating solar-thermal power (CSP) knowledge. Here, to address this, the HelioCon team has been developing a centralized web-based resource database, containing a reference library, educational videos, lists of components suppliers and software/metrology tools, a power tower plant database, and information on existing standards/guidelines.

14 SOLAR ENERGY↗

Description of Emission Processes in Molecular Gases Based with the HITRAN Database

Methods for calculating the emission characteristics of a molecular gas in vibrational–rotational transitions involving information collected in the HITRAN database have been discussed. It has been shown that a series of vibrational–rotational transitions induced by the absorption of photons by CO{sub 2} molecules lead to the formation of unstable autoionizing states. Algorithms for calculating the partial absorption coefficients and radiation fluxes from the bulk of the molecular gas have been developed involving the HITRAN database. Advantages and disadvantages of this approach for calculating the emission characteristics of molecular gas layers have been discussed. The results have been demonstrated in application to carbon dioxide and methane in the Earth’s atmosphere.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The tundra phenology database: more than two decades of tundra phenology responses to climate change

Observations of changes in phenology have provided some of the strongest signals of the effects of climate change on terrestrial ecosystems. The International Tundra Experiment (ITEX), initiated in the early 1990s, established a common protocol to measure plant phenology in tundra study areas across the globe. Today, this valuable collection of phenology measurements depicts the responses of plants at the colder extremes of our planet to experimental and ambient changes in temperature over the past decades. The database contains 150 434 phenology observations of 278 plant species taken at 28 study areas for periods of 1–26 years. Here we describe the full data set to increase the visibility and use of these data in global analyses and to invite phenology data contributions from underrepresented tundra locations. Portions of this tundra phenology database have been used in three recent syntheses, some data sets are expanded, others are from entirely new study areas, and the entirety of these data are now available at the Polar Data Catalogue (https://doi.org/10.21963/13215).

54 ENVIRONMENTAL SCIENCES↗

NaTGenPD (National Thermal Generator Performance Database)

The National Thermal Generator Performance Database (NaTGenPD) is a code base used for the processing (extraction, cleaning, filtering, and fitting) and analysis of EPA CEMS data to produce a National Thermal Generator Performance Database.

Buster, Grant↗

Building Performance Database API (BPD API) v2.1

The Building Performance Database (BPD) is the largest publicly-available source of measured energy performance data for buildings in the United States. It contains information about the building's energy use, location, and physical and operational characteristics. The BPD can be used by building owners, operators, architects and engineers to compare a building's energy efficiency against customized peer groups, identify energy efficiency opportunities, and set energy efficiency targets. It can also be used by energy efficiency program implementers and policymakers to analyze energy efficiency features and trends in the building stock. The BPD compiles data from various data sources, converts it into a standard format, cleanses and quality checks the data, and provides users with access to the data in a way that maintains anonymity for data providers. This software is the database and the Application Programming Interface (API). Users can utilize the BPD's data to develop their own applications using the API. Version 2.1 included a major update for multiple years of data and refactoring of code for faster queries.

Mathew, Paul↗

Familial Associations of Prevalence and Cause-Specific Mortality for Thoracic Aortic Disease and Bicuspid Aortic Valve in a Large-Population Database

Thoracic aortic disease and bicuspid aortic valve (BAV) likely have a heritable component, but large population-based studies are lacking. This study characterizes familial associations of thoracic aortic disease and BAV, as well as cardiovascular and aortic-specific mortality, among relatives of these individuals in a large-population database. In this observational case-control study of the Utah Population Database, we identified probands with a diagnosis of BAV, thoracic aortic aneurysm, or thoracic aortic dissection. Age- and sex-matched controls (10:1 ratio) were identified for each proband. First-degree relatives, second-degree relatives, and first cousins of probands and controls were identified through linked genealogical information. Cox proportional hazard models were used to quantify the familial associations for each diagnosis. We used a competing-risk model to determine the risk of cardiovascular-specific and aortic-specific mortality for relatives of probands. The study population included 3,812,588 unique individuals. Familial hazard risk of a concordant diagnosis was elevated in the following populations compared with controls: first-degree relatives of patients with BAV (hazard ratio [HR], 6.88 [95% CI, 5.62–8.43]); first-degree relatives of patients with thoracic aortic aneurysm (HR, 5.09 [95% CI, 3.80–6.82]); and first-degree relatives of patients with thoracic aortic dissection (HR, 4.15 [95% CI, 3.25–5.31]). In addition, the risk of aortic dissection was higher in first-degree relatives of patients with BAV (HR, 3.63 [95% CI, 2.68–4.91]) and in first-degree relatives of patients with thoracic aneurysm (HR, 3.89 [95% CI, 2.93–5.18]) compared with controls. Dissection risk was highest in first-degree relatives of patients who carried a diagnosis of both BAV and aneurysm (HR, 6.13 [95% CI, 2.82–13.33]). First-degree relatives of patients with BAV, thoracic aneurysm, or aortic dissection had a higher risk of aortic-specific mortality (HR, 2.83 [95% CI, 2.44–3.29]) compared with controls. Our results indicate that BAV and thoracic aortic disease carry a significant familial association for concordant disease and aortic dissection. The pattern of familiality is consistent with a genetic cause of disease. Furthermore, we observed higher risk of aortic-specific mortality in relatives of individuals with these diagnoses. In conclusion, this study provides supportive evidence for screening in relatives of patients with BAV, thoracic aneurysm, or dissection.

60 APPLIED LIFE SCIENCES↗

Exposing new taxonomic variation with inflammation — a murine model-specific genome database for gut microbiome researchers

The murine CBA/J mouse model widely supports immunology and enteric pathogen research. This model has illuminated Salmonella interactions with the gut microbiome since pathogen proliferation does not require disruptive pretreatment of the native microbiota, nor does it become systemic, thereby representing an analog to gastroenteritis disease progression in humans. Despite the value to broad research communities, microbiota in CBA/J mice are not represented in current murine microbiome genome catalogs. Here we present the first microbial and viral genomic catalog of the CBA/J murine gut microbiome. Using fecal microbial communities from untreated and Salmonella-infected, highly inflamed mice, we performed genomic reconstruction to determine the impacts on gut microbiome membership and functional potential. From high depth whole community sequencing (~ 42.4 Gbps/sample), we reconstructed 2281 bacterial and 4516 viral draft genomes. Salmonella challenge significantly altered gut membership in CBA/J mice, revealing 30 genera and 98 species that were conditionally rare and unsampled in non-inflamed mice. Additionally, inflamed communities were depleted in microbial genes that modulate host anti-inflammatory pathways and enriched in genes for respiratory energy generation. Our findings suggest decreases in butyrate concentrations during Salmonella infection corresponded to reductions in the relative abundance in members of the Alistipes. Strain-level comparison of CBA/J microbial genomes to prominent murine gut microbiome databases identified newly sampled lineages in this resource, while comparisons to human gut microbiomes extended the host relevance of dominant CBA/J inflammation-resistant strains. This CBA/J microbiome database provides the first genomic sampling of relevant, uncultivated microorganisms within the gut from this widely used laboratory model. Using this resource, we curated a functional, strain-resolved view on how Salmonella remodels intact murine gut communities, advancing pathobiome understanding beyond inferences from prior amplicon-based approaches. Salmonella-induced inflammation suppressed Alistipes and other dominant members, while rarer commensals like Lactobacillus and Enterococcus endure. The rare and novel species sampled across this inflammation gradient advance the utility of this microbiome resource to benefit the broad research needs of the CBA/J scientific community, and those using murine models for understanding the impact of inflammation on the gut microbiome more generally.

59 BASIC BIOLOGICAL SCIENCES↗

ORNL Compiled Mercury Methylator Database

This is a custom reference database compiled by ORNL researchers, containing mercury methylation genes (hgcA and hgcB) from predicted and known mercury methylating microorganisms. The database contains 301 hgcA and 239 hgcB sequences from pure culture and environmental genomes publicly available from the National Center for Biotechnology Information (http://www.ncbi.nlm.nih.gov). The reference packages can be used to assign taxonomic classification to HgcA sequences from cloning, amplicon, or meta-omic datasets.

HG SFA↗

Utility Rate Database

The Utility Rate Database is a free storehouse of rate structure information from utilities in the United States. The database includes rates for utilities based on the authoritative list of U.S. utility companies maintained by the U.S. Department of Energy’s Energy Information Administration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NEWTS EPA FGD Effluent Database

Data from the US EPA FGD Database containing FGD effluent data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640

FGD Effluent↗

NEWTS USGS Brackish Water Database

Data from the USGS Brackish Water Database on brackish water compositions from across the US. Data has been filtered for high salinity and completeness of data attributes. Data has been transposed and converted for ease of input into aqueous chemistry modeling software including OLI Systems and Geochemist's Workbench. Original data from: Qi, S.L., and Harris, A.C., 2017, Geochemical Database for the Brackish Groundwater Assessment of the United States: U.S. Geological Survey data release, https://doi.org/10.5066/F72F7KK1.

Brackish Groundwater↗

NEWTS USGS Produced Waters Database

Data from the USGS Produced Waters Database on produced water compositions from across the US. Data has been filtered for completeness of data attributes. Data has been transposed and converted for ease of input into aqueous chemistry modeling software including OLI Systems and Geochemist's Workbench. Original data from: Blondes, M. S., Gans, K. D., Engle, M. A., Kharaka, Y. K., Reidy, M. E., Saraswathula, V., Thordsen, J. J., Rowan, E. L., & Morrissey, E. A. (2019). U.S. Geological Survey National Produced Waters Geochemical Database v2.3 [Data set]. U.S. Geological Survey. https://doi.org/10.5066/F7J964W8

Geochemists Workbench↗

NEWTS State-Level Database Dashboard

The National Energy Water Treatment and Speciation (NEWTS) State-Level Database Dashboard enables quick visualization and exploration of energy-related wastewater data collected from state environmental agencies and research projects across the United States. The dashboard features a subset of the NEWTS Integrated Dataset (version 1.0), which was built to provide stakeholders with a unified and standardized database to support wastewater treatment and critical minerals exploration. The full NEWTS Integrated Dataset and citations for the original data resources can be found here: https://edx.netl.doe.gov/dataset/newts-integrated-dataset-version-1-0

abandoned mine drainage↗

Advanced Infrastructure Integrity Modeling (AIIM) Onshore Pipeline Database

The Advanced Infrastructure Integrity Modeling (AIIM) Onshore Pipeline Database is an interoperable spatial resource containing critical environmental, operational, and reported stressors tied to publicly available oil and gas pipeline locations across the contiguous U.S. and Alaska. This database contains two layers: 1. Pipeline point locations (‘pipeline_points’) – More than 500,000 points (at every kilometer along pipelines, and end points) to which more than 350 stress-related variables have been appended. 2. Merged pipelines (‘merged_pipelines’) – The original, publicly available pipeline data (see table below) merged together into one feature class.

Carbon Transport↗

Energy Storage Policy Summaries for the Global Energy Storage Database

This report includes energy storage policy analysis from six states: Arizona, California, Massachusetts, Nevada, New Mexico, and New York. These summaries offer prototypes for summaries that will subsequently be prepared for all 50 states (and territories). There is presently a shortage of comprehensive energy storage policy analysis that public utility regulators can call upon to inform policymaking in their own jurisdictions. The state policy summaries that will be offered publicly on the Global Energy Storage Database (GESDB) will include analysis on the executive directives, legislation, regulations pertaining to energy storage that have been adopted by an individual state, along with perspective on the remaining policy issues pertaining to storage that a state will be likely to address in the future. It is anticipated that public utility regulators in particular will find the database to be a useful resource in benchmarking policy approaches critical to the continued development of an energy storage marketplace in the U.S., including policy approaches specific to storage and renewables procurement targets, interconnection standards, valuation of energy storage, rate reform and tariff design specific to energy storage, consideration of multiple uses for storage at the distribution level, and potential revisions to existing state net metering programs to accommodate an expected growth of energy storage technologies.

25 ENERGY STORAGE↗