Structure and function of the bacillithiol- S -transferase BstA from Staphylococcus aureus : BstA Structure
Abstract not provided
Francis, Joel W.↗
SEARCH · Engineering Papers
Results for “active data”
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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Enhancing Clean Energy Innovation Ecosystem Discovery Tool
During March 2016, the DOE’s Office of Energy Policy and Systems Analysis (EPSA) sought a methodology to identify and quantify the strength of the existing clean energy innovation ecosystems (IE) in the U.S. and their characteristics. Oak Ridge National Lab (ORNL) did a pilot study (Phase 1) and demonstrated the feasibility of an application comprised of natural language processing, link analysis, and other computational techniques to transform text and numerical data into metrics on clean energy innovation activity and geography. The data-collection, ingest and analytics pipelines were combined with an advanced user interface, together known as the Ecosystem Discovery Tool, to enhance DOE’s understanding of existing geographic innovation clusters. During Phase 2 of this project, this tool has been further enhanced by integrating new data sets and through backend software architecture changes, validation and bug fixing, making it a much more robust and powerful application. The tool’s user interface is a lot more intuitive, which enables a user to visualize the IE rankings for various geographic regions(CBSA, state level) for different clean energy technologies and seek automated insights. ORNL also created a DOE-specific dashboard that allows the user to visualize and analyze federal funding from various offices including Energy Efficiency and Renewable Energy(EERE), Office of Electricity(OE), Fossil Energy(FE), and Nuclear Energy(NE). During Phase 1 of this project, EPSA defined a clean energy innovation ecosystem as the overlap of five Ecosystem Components: 1) nascent clean energy Indicators, 2) investors, 3) enabling environment, 4) networking assets and 5) large companies. EPSA and ORNL worked together to collect data for each component: 1) small and medium companies, ARPA-E awardees, SBIR awardees, patents, publications, ERCs for Nascent Clean Energy Indicators; 2) qualified investors; 3) the Clean Edge Policy Index/DSIRE for the Enabling Environment; 4) universities, national laboratories, ERCs and incubators for Networking Assets; and 5) large companies and a subset of the Russell 1000 list for Large Companies. The ORNL team created a visual tool based on Tableau that integrated ecosystem component data to score, rank and map IEs. The tool was created with the flexibility to allow the user to choose the weights of each of the five ecosystem components and the subcomponents. This flexibility allows the user to visualize different subsets and to use the underlying data for different types of analysis. During Phase 2 of this project, the backend database and computation process have undergone major changes to provide a much more refined user-interface and added new features into the scoring algorithm. This phase also involved addition of newer databases such as a list of Energy Research Centers (ERC) ,DSIRE, and funding data from EERE, FE, NE, and OE to provide more granular information and more accurate/better quantification.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
P-model v1.0: an optimality-based light use efficiency model for simulating ecosystem gross primary production
Terrestrial photosynthesis is the basis for vegetation growth and drives the land carbon cycle. Accurately simulating gross primary production (GPP, ecosystem-level apparent photosynthesis) is key for satellite monitoring and Earth system model predictions under climate change. While robust models exist for describing leaf-level photosynthesis, predictions diverge due to uncertain photosynthetic traits and parameters which vary on multiple spatial and temporal scales. Here, we describe and evaluate a GPP (photosynthesis per unit ground area) model, the P-model, that combines the Farquhar–von Caemmerer–Berry model for C 3 photosynthesis with an optimality principle for the carbon assimilation–transpiration trade-off, and predicts a multi-day average light use efficiency (LUE) for any climate and C 3 vegetation type. The model builds on the theory developed in Prentice et al. (2014) and Wang et al. (2017a) and is extended to include low temperature effects on the intrinsic quantum yield and an empirical soil moisture stress factor. The model is forced with site-level data of the fraction of absorbed photosynthetically active radiation (fAPAR) and meteorological data and is evaluated against GPP estimates from a globally distributed network of ecosystem flux measurements. Although the P-model requires relatively few inputs, the R 2 for predicted versus observed GPP based on the full model setup is 0.75 (8 d mean, 126 sites) – similar to comparable satellite-data-driven GPP models but without predefined vegetation-type-specific parameters. The R 2 is reduced to 0.70 when not accounting for the reduction in quantum yield at low temperatures and effects of low soil moisture on LUE. The R 2 for the P-model-predicted LUE is 0.32 (means by site) and 0.48 (means by vegetation type). Applying this model for global-scale simulations yields a total global GPP of 106–122 Pg C yr –1 (mean of 2001–2011), depending on the fAPAR forcing data. The P-model provides a simple but powerful method for predicting – rather than prescribing – light use efficiency and simulating terrestrial photosynthesis across a wide range of conditions. The model is available as an R package (rpmodel).
54 ENVIRONMENTAL SCIENCES↗
Multi-color imaging of selected southern interacting galaxies
The authors present preliminary results from a study of selected Arp-Madore Southern Hemisphere peculiar galaxies. Broadband charge coupled device (CCD) images (BVRI) of a subset of these galaxies allow us to study each galaxy's optical morphology, color, and (in a crude manner) degree of nuclear activity, and to compare them with similar data we possess on other active galaxies. Many of these galaxies have optical morphologies closely resembling those of powerful radio galaxies (Smith and Heckman 1989), yet their radio emission is unremarkable. Accurate positions for subsequent spectroscopic studies have been determined along with broad band photometry and morphology studies. Detailed observations of these comparatively bright, low-redshift, well-resolved interacting systems should aid our understanding of the role interactions play in triggering galaxy activity. This work is the initial effort in a long term project to study the role played by the dynamics of the interaction in the production and manifestations of activity in galaxies, and the frequency of galaxy mergers.
Smith, Eric P.↗
Research in Observations of Oceanic Air/Sea Interaction
The primary purpose of this research has been: (1) to develop an innovative research radar scatterometer system capable of directly measuring both the radar backscatter and the small-scale and large-scale ocean wave field simultaneously and (2) deploy this instrument to collect data to support studies of air/sea interaction. The instrument has been successfully completed and deployed. The system deployment lasted for six months during 1995. Results to date suggest that the data is remarkably useful in air/sea interaction studies. While the data analysis is continuing, two journal and fifteen conference papers have been published. Six papers are currently in review with two additional journal papers scheduled for publication. Three Master's theses on this research have been completed. A Ph.D. student is currently finalizing his dissertation which should be completed by the end of the calendar year. We have received additional 'mainstream' funding from the NASA oceans branch to continue data analysis and instrument operations. We are actively pursuing results from the data expect additional publications to follow. This final report briefly describes the instrument system we developed and results to-date from the deployment. Additional detail is contained in the attached papers selected from the bibliography.
Long, David G.↗
Global Gridded Data from the Goddard Earth Observing System Data Assimilation System (GEOS-DAS)
The Goddard Earth Observing System Data Assimilation System (GEOS-DAS) timeseries is a globally gridded atmospheric data set for use in climate research. This near real-time data set is produced by the Data Assimilation Office (DAO) at the NASA Goddard Space Flight Center in direct support of the operational EOS instrument product generation from the Terra (12/1999 launch), Aqua (05/2002 launch) and Aura (01/2004 launch) spacecrafts. The data is archived in the EOS Core System (ECS) at the Goddard Earth Sciences Data and Information Services Center/Distributed Active Archive Center (GES DISC DAAC). The data is only a selection of the products available from the GEOS-DAS. The data is organized chronologically in timeseries format to facilitate the computation of statistics. GEOS-DAS data will be available for the time period January 1, 2000, through present.
Source record↗
Evaluating the Impact of AIRS Observations on Regional Forecasts at the SPoRT Center
NASA Short-term Prediction Research and Transition (SPoRT) Center collaborates with operational partners of different sizes and operational goals to improve forecasts using targeted projects and data sets. Modeling and DA activities focus on demonstrating utility of NASA data sets and capabilities within operational systems. SPoRT has successfully assimilated the Atmospheric Infrared Sounder (AIRS) radiance and profile data. A collaborative project is underway with the Joint Center for Satellite Data Assimilation (JCSDA) to use AIRS profiles to better understand the impact of AIRS radiances assimilated within Gridpoint Statistical Interpolation (GSI) in hopes of engaging the operational DA community in a reassessment of assimilation methodologies to more effectively assimilate hyperspectral radiances.
Zavodsky, Bradley↗
NASA’s Developments in Cryogenic Fluid Management Technology
NASA has been pursuing the development and demonstration of enabling and enhancing technologies for Cryogenic Fluid Management (CFM) in collaboration with the US industry. NASA’s vision for current and future space exploration requires high-performance chemical and nuclear propulsion solutions that utilize cryogens. The Agency will use cryogenic fluids for Earth-to-orbit transportation, human missions to the Moon and Mars, planetary exploration, and in-situ resource utilization (ISRU) production. All these architectures will require state-of-the-art long-duration storage on the surface and in-space transfer for refueling. This paper focuses on key CFM technology developments completed or ongoing by the Cryogenic Fluid Management Portfolio Office within NASA’s Space Technology Mission Directorate. The CFM Portfolio Office, partnered with US aerospace industry, has invested in CFM technology ground and flight demonstrations, focused on maturing CFM hardware and operations for Artemis and Moon to Mars activities. These demonstrations additionally provide NASA with data to inform numerical modeling activities for verification and validation of design tools and approaches for future missions. This paper includes discussion on remaining high-priority open CFM technology gaps for Mar-forward architectures and initiatives for closure.
Cryogenic Fluid Management↗
Data & Reasoning Fabric (DRF) Outreach
The Data & Reasoning Fabric activity, under the Convergent Aeronautics Solutions (CAS) Project has developed images and content suitable for public outreach. Content and images are expected to be presented to National League of Cities, US Ignite, Association for Unmanned Vehicle Systems International (AUVSI), Federal Aviation Administration (FAA), cities, and local governments.
Data & Reasoning Fabric↗
The CMS RPC system readiness for LHC Run-3 data taking
During Run-3, the LHC is preparing to deliver instantaneous luminosity in the range from 5 × 10 34 cm -2 s -1 to 7.5 × 10 34 cm -2 s -1 . To ensure stable data taking, providing redundant information for robust muon triggering, reconstruction and identification, the CMS RPC collaboration has used the opportunity given by the LHC long shutdown 2 (LS2), to perform a series of maintenance and preparation activities for the new data taking period. The overall performance of the RPC system after the LS2 commissioning period and the activities in preparation for future data taking will be presented.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Pooling the resources of the CMS Tier-1 sites
The CMS experiment at the LHC relies on 7 Tier-1 centres of the WLCG to perform the majority of its bulk processing activity, and to archive its data. During the first run of the LHC, these two functions were tightly coupled as each Tier-1 was constrained to process only the data archived on its hierarchical storage. This lack of flexibility in the assignment of processing workflows occasionally resulted in uneven resource utilisation and in an increased latency in the delivery of the results to the physics community.The long shutdown of the LHC in 2013-2014 was an opportunity to revisit this mode of operations, disentangling the processing and archive functionalities of the Tier-1 centres. The storage services at the Tier-1s were redeployed breaking the traditional hierarchical model: each site now provides a large disk storage to host input and output data for processing, and an independent tape storage used exclusively for archiving. Movement of data between the tape and disk endpoints is not automated, but triggered externally through the WLCG transfer management systems.With this new setup, CMS operations actively controls at any time which data is available on disk for processing and which data should be sent to archive. Thanks to the high-bandwidth connectivity guaranteed by the LHCOPN, input data can be freely transferred between disk endpoints as needed to take advantage of free CPU, turning the Tier-1s into a large pool of shared resources. The output data can be validated before archiving them permanently, and temporary data formats can be produced without wasting valuable tape resources. Lastly, the data hosted on disk at Tier-1s can now be made available also for user analysis since there is no risk any longer of triggering chaotic staging from tape.In this contribution, we describe the technical solutions adopted for the new disk and tape endpoints at the sites, and we report on the commissioning and scale testing of the service. We detail the procedures implemented by CMS computing operations to actively manage data on disk at Tier-1 sites, and we give examples of the benefits brought to CMS workflows by the additional flexibility of the new system.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
INL Fleet Vehicle Characterization Study for the U.S. Department of Navy
Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energy’s Idaho National Laboratory, is the lead laboratory for U.S. Department of Energy Advanced Vehicle Testing. Battelle Energy Alliance, LLC collected and evaluated data on federal fleet operations as part of the Advanced Vehicle Testing Activity’s Federal Fleet Vehicle Data Logging and Characterization Study. The Advanced Vehicle Testing Activity’s study seeks to collect and evaluate data to validate use of advanced plug-in electric vehicle (PEV) transportation. This report focuses on US Department of Navy's fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agency’s fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.
33 ADVANCED PROPULSION SYSTEMS↗
Expanding on Successful Concepts, Models, and Organization
In her letter to the editor1 regarding our recent Feature Article “Completing the Link between Exposure Science and Toxicology for Improved Environmental Health Decision Making: The Aggregate Exposure Pathway Framework” 2, Dr. von Göetz expressed several concerns about terminology, and the perception that we propose the replacement of successful approaches and models for exposure assessment with a concept. We are glad to have the opportunity to address these issues here. If the goal of the AEP framework was to replace existing exposure models or databases for organizing exposure data with a concept, we would share Dr. von Göetz concerns. Instead, the outcome we promote is broader use of an organizational framework for exposure science. The framework would support improved generation, organization, and interpretation of data as well as modeling and prediction, not replacement of models. The field of toxicology has seen the benefits of wide use of one or more organizational frameworks (e.g., mode and mechanism of action, adverse outcome pathway). These frameworks influence how experiments are designed, data are collected, curated, stored and interpreted and ultimately how data are used in risk assessment. Exposure science is poised to similarly benefit from broader use of a parallel organizational framework, which Dr. von Göetz correctly points out, is currently used in the exposure modeling community. In our view, the concepts used so effectively in the exposure modeling community, expanded upon in the AEP framework, could see wider adoption by the field as a whole. The value of such a framework was recognized by the National Academy of Sciences.3 Replacement of models, databases, or any application with the AEP framework was not proposed in our article. The positive role broader more consistent use of such a framework might have in enabling and advancing “general activities such as data acquisition, organization…,” and exposure modeling was discussed in some detail. Like Dr. von Göetz, we recognized the challenges associated with acceptance of the terminology, definitions, and structure proposed in the paper. To address these challenges, an expert workshop was held in May, 2016 to consider and revise the “basic elements” outlined in the paper. The attendees produced revisions to the terminology (e.g., key events) that align with terminology currently in use in the field. We were also careful in our paper to acknowledge a point raised by Dr. von Göetz, that the term AEP implies aggregation, providing these clarifications: “The simplest form of an AEP represents a single source and a single pathway and may more commonly be referred to as an exposure pathway,”; and “An aggregate exposure pathway may represent multiple sources and transfer through single pathways to the TSE, single sources and transfer through multiple pathways to the target site exposure (TSE), or any combination of these.” These clarifications address the concern that the AEP term is not accurate or logical, and further expands upon the word “aggregate” in a broader context. Our use of AEP is consistent with the definition for “aggregate exposure”, which refers to the combined exposures to a single chemical across multiple routes and pathways.3 The AEP framework embraces existing methods for collection, prediction, organization, and interpretation of human and ecological exposure data cited by Dr. von Göetz. We remain hopeful that wider recognition and use of an organizing concept for exposure information across the exposure science, toxicology and epidemiology communities advances the development of the kind of infrastructure and models Dr. von Göetz discusses. This outcome would be a step forward, rather than a step backward.
exposure science↗
Increasing Data Discovery and Re-Use: The Space Life Sciences Ontology
Two of the most important goals of the adoption of the FAIR principles are increasing the ability of agents to find and re-use research data. Achieving these goals for space life sciences research is even more pressing, given the relatively expensive and scarce nature of these data. We have reported in the past on the progress made by exemplar life sciences data systems towards implementing FAIR, showing gaps particularly in the “interoperability area” of the principles; the lack of common conceptual models for space life science research is one reason for this gap. There were few available resources that define, annotate, categorize or otherwise relate various kinds of metadata describing the acquisition, nature, and intent of investigational space life sciences data. To address this gap, NASA is working with the Open Biological and Biomedical Ontology Foundry (https://obofoundry.org/) to develop the Space Life Science Ontology (SLSO) that is intended to support archival and other kinds of systems that operate using these data. The scope of the ontology includes concepts regarding those aspects of investigation design and execution specific or unique to space environments, such as types of specialized equipment, operating organizations, and documentation. The ontology is continually being developed and published to the life science community (https://github.com/nasa/LSDAO/); at the time of this publication, the SLSO newly and uniquely defines 30 types (classes), 90 properties, and 14 relations specific to space life sciences metadata. In addition, the SLSO reuses (imports) some 2,360 types (classes), 49 properties, and 393 relations from other ontologies that are relevant to these kinds of metadata. In addition to its role as a common conceptualization for space biomedical research activities, the SLSO can also be used to provide automated support for traditionally difficult and expensive activities such as data curation and cross-system data integration and analysis.
fair↗
Cosmochemical Studies: Meteorites, Asteroidal Processes, Chondrules
Our research mainly concerned the asteroidal processes involved in the formation of meteorites and meteoritic chondrules. We continued to generate large amounts of instrumental-neutron-activation analysis (INAA) data, both for irons, chondrites and primitive achondrites. Major themes of our chondrule research were: (1) the temperature and crystallization history of individual chondrules, and (2) the evolution of the solar nebula during the period within which chondrule formation occurred. Much of our chondrule research was focused on the highly primitive CO3 chondrites. We initiated a study of the cooling history of high-FeO chondrules by characterizing the overgrowth layers on relict grains.. We also continued our studies of the composition and the formation of iron meteorites and the evolution of their parent planets. The large data sets that we have generated at UCLA allows systematic comparisons of the large magmatic groups both in terms of fractional crystallization (including rough estimates of non-metal contents of the parental melts) and in terms of the effects of variable contents of trapped melt. We have completed a preliminary study of group IIIAB in which we developed a trapped-melt model and more detailed studies of group IVA and the main-group pallasites. By comparing these large groups and modeling them by a combination of crystallization and melt trapping, we are able to better define both the formation processes and the nature of the solid/liquid elemental partitioning. We helped maintain the excellent neutron-activation facilities at UCLA, a major resource for the cosmochemical community.
Wasson, John T.↗
Clean Cities and Communities Partnership 2024 Activity Report
Clean Cities and Communities (CC&C) is a U.S. Department of Energy (DOE) partnership that fosters collaboration and innovation to advance transportation energy choices nationwide. More than 75 DOE-designated CC&C coalitions work in urban, suburban, and rural areas to deliver objective technical expertise based on a unique understanding of local markets. As partners with DOE's Transportation Technologies Office (TTO), coalitions build bridges between national priorities and local needs to create transportation energy systems that are affordable, reliable, and secure. Together, coalitions create compounding impacts nationwide that support locally driven energy choices and benefit regional economic development and job growth. This report summarizes the success and impact of partnership activities based on data and information provided in their annual reports.
2024↗
Reaction Kinetics of Water Molecules with Oxygen Vacancies on Rutile TiO 2 (110)
The formation of bridging hydroxyls (OHb) via reactions of water molecules with oxygen vacancies (VO) on reduced TiO 2 (110) surfaces is studied using infrared reflection-absorption spectroscopy (IRAS), electron-stimulated desorption (ESD), and photon-stimulated desorption (PSD). Narrow IRAS peaks at 2737 cm-1 and 3711 cm -1 are observed for stretching vibrations of OD b and OH b on TiO 2 (110), respectively. IRAS measurements with s- and p-polarized light demonstrate that the bridging hydroxyls are oriented normal to the (110) surface. The IR peaks disappear after the sample is exposed to O 2 or annealed in the temperature range of 400 – 600 K (correlating with the temperature at which pairs of OHb’s reform water and then desorb), which is consistent with their identification as bridging hydroxyls. We have studied the kinetics of water reacting with the vacancies by monitoring the formation of bridging hydroxyls (using IRAS) as a function of the annealing temperature for a small amount of water initially dosed on the TiO 2 (110) at low temperature. Separate experiments have also monitored the loss of water molecules (using water ESD) and vacancies (using the CO photooxidation reaction) due to the reactions of water molecules with the vacancies. All three techniques show that the reaction rate becomes appreciable for T > 150 K and that the reactions largely complete for T > 250 K. The temperature-dependent water-VO reaction kinetics are consistent with a Gaussian distribution of activation energies with E a = 0.545 eV, ΔE a (FWHM) = 0.125 eV, and a “normal” prefactor, v = 10 12 s -1 . In contrast, a single activation energy with a physically reasonable prefactor does not fit the data well. Our experimental activation energy is close to theoretical estimates for the diffusion of water molecules along the Ti 5c rows on the reduced TiO 2 (110) surface, which suggests that the diffusion of water controls the water – V O reaction rate.
74 ATOMIC AND MOLECULAR PHYSICS↗
Structural and mechanistic insights into Mcm2-7 double-hexamer assembly and function
Eukaryotic cells license each DNA replication origin during G1 phase by assembling a prereplication complex that contains a Mcm2–7 (minichromosome maintenance proteins 2–7) double hexamer. During S phase, each Mcm2–7 hexamer forms the core of a replicative DNA helicase. However, the mechanisms of origin licensing and helicase activation are poorly understood. The helicase loaders ORC–Cdc6 function to recruit a single Cdt1–Mcm2–7 heptamer to replication origins prior to Cdt1 release and ORC–Cdc6–Mcm2–7 complex formation, but how the second Mcm2–7 hexamer is recruited to promote double-hexamer formation is not well understood. Here, structural evidence for intermediates consisting of an ORC–Cdc6–Mcm2–7 complex and an ORC–Cdc6–Mcm2–7–Mcm2–7 complex are reported, which together provide new insights into DNA licensing. Detailed structural analysis of the loaded Mcm2–7 double-hexamer complex demonstrates that the two hexamers are interlocked and misaligned along the DNA axis and lack ATP hydrolysis activity that is essential for DNA helicase activity. Moreover, we show that the head-to-head juxtaposition of the Mcm2–7 double hexamer generates a new protein interaction surface that creates a multisubunit-binding site for an S-phase protein kinase that is known to activate DNA replication. The data suggest how the double hexamer is assembled and how helicase activity is regulated during DNA licensing, with implications for cell cycle control of DNA replication and genome stability.
59 BASIC BIOLOGICAL SCIENCES↗