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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Curating Carbon Storage Data for Reuse: Enabling Research and Modeling from Earth’s Surface to Subsurface

The volume of public geologic carbon storage (GCS) data resources has continued to increase in recent years as the result of an increase in funding from government, industry, and academia towards national, basin, regional and field scale studies to ensure carbon capture and storage becomes a commercially viable operation. Despite the increasing volume of data, GCS data applied towards analyses such as geologic, cost, and risk modeling continues to be multi-sourced and often disparate in nature, published across government agencies, websites, data repositories and buried in derivative reports and documents. Much of the time preparing for an analysis and derivative product development is spent collecting, aggregating, transforming and preparing input data. There have been significant efforts within the DOE National Energy Technology Laboratory’s Carbon Storage Program to optimize multi-source, multi-scale subsurface geologic data curation and aggregation to support data discovery, interoperability, and reuse. Methods include the use of artificial intelligence, machine learning, and data science techniques. This talk will discuss the workflows, best practices, and processes developed to support the aggregation and curation of data through the whole system – surface to subsurface data - that support multi-scale, multi-purpose analysis for carbon storage research.

Morkner, Paige↗
DOE OSTI2025

BOSC 2025, the 26th Bioinformatics Open Source Conference

The 26th annual Bioinformatics Open Source Conference (BOSC 2025, open-bio.org/events/bosc-2025) brought its community-driven focus on open-source bioinformatics and open science to the 2025 conference on Intelligent Systems for Molecular Biology and the European Conference on Computational Biology (ISMB/ECCB 2025). Since its launch in 2000, BOSC has been the premier annual meeting covering open-source bioinformatics and open science. Framed by two keynote addresses and a thought-provoking panel discussion, the two-day conference included sessions dedicated to open data, analytic tools and pipelines, workflow platforms, knowledge representation, and the application of AI/ML. The first keynote talk was delivered by Christine Orengo: “Working together to develop, promote and protect our data resources: Lessons learnt developing CATH and TED.” A joint session with the Bio-Ontologies and Knowledge Representation (BOKR) track the second day of BOSC started with a keynote talk by Chris Mungall entitled “Open Knowledge Bases in the Age of Generative AI”. A closing panel on Data Sustainability, moderated by Mónica Muñoz Torres, featured panelists Scott Edmunds, Varsha Khodiyar, Tony Burdett, Nicky Mulder, and Chris Mungall. This year, the CollaborationFest collaborative work event that typically precedes or follows ISMB was incorporated as part of the main conference and organized by BOSC with help from the Function and 3D-SIG tracks.

bioinformatics↗
NASA NTRS1985

Activities of the Pilot Land Data System project

The University of Maryland's Remote Sensing Systems Laboratory submitted to NASA/Goddard an interim progress report on the work being conducted within its Pilot Land Data System IPLDS project. The Remote Sensing Systems Laboratory addressed the following tasks: (1) identify data types and data sources needed to describe the selected test sites in collaboration with Goddard's Hydrological Sciences Branch; (2) define the procedures necessary to access/acquire this data; (3) conduct meetings with the PLDS Systems Engineering Group to identify functional specification priorities for PLDS development; (4) assemble documentation on historical remotely sensed imagery and transfer of such information to the PLDS Data Management Group; (5) collect data identified by Goodard's Hydrological Sciences Branch for data set inventory in PLD; (6) develop a Workstation-PLDS system interface over high speed lines, (7) develop and test through a Phase 1 demonstration of a micro workstation to access PLDS; and (8) establish interdepartmental agreement of development of computer link for electronic access of water resources data from USGS.

Sircar, J. K.↗
DOE OSTI2021

Coordinated resource allocation to plant growth–defense tradeoffs

Summary Plant resource allocation patterns often reveal tradeoffs that favor growth (G) over defense (D), or vice versa. Ecologists most often explain G–D tradeoffs through principles of economic optimality, in which negative trait correlations are attributed to the reconciliation of fitness costs. Recently, researchers in molecular biology have developed ‘big data’ resources including multi‐omic (e.g. transcriptomic, proteomic and metabolomic) studies that describe the cellular processes controlling gene expression in model species. In this synthesis, we bridge ecological theory with discoveries in multi‐omics biology to better understand how selection has shaped the mechanisms of G–D tradeoffs. Multi‐omic studies reveal strategically coordinated patterns in resource allocation that are enabled by phytohormone crosstalk and transcriptional signal cascades. Coordinated resource allocation justifies the framework of optimality theory, while providing mechanistic insight into the feedbacks and control hubs that calibrate G–D tradeoff commitments. We use the existing literature to describe the coordinated resource allocation hypothesis (CoRAH) that accounts for balanced cellular controls during the expression of G–D tradeoffs, while sustaining stored resource pools to buffer the impacts of future stresses. The integrative mechanisms of the CoRAH unify the supply‐ and demand‐side perspectives of previous G–D tradeoff theories.

Monson, Russell K.↗
NASA NTRS2003

A Virtual Bioinformatics Knowledge Environment for Early Cancer Detection

Discovery of disease biomarkers for cancer is a leading focus of early detection. The National Cancer Institute created a network of collaborating institutions focused on the discovery and validation of cancer biomarkers called the Early Detection Research Network (EDRN). Informatics plays a key role in enabling a virtual knowledge environment that provides scientists real time access to distributed data sets located at research institutions across the nation. The distributed and heterogeneous nature of the collaboration makes data sharing across institutions very difficult. EDRN has developed a comprehensive informatics effort focused on developing a national infrastructure enabling seamless access, sharing and discovery of science data resources across all EDRN sites. This paper will discuss the EDRN knowledge system architecture, its objectives and its accomplishments.

knowledge systems↗
DOE OSTI2016

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

Crystallographic studies of ligands bound to biological macromolecules (proteins and nucleic acids) represent an important source of information concerning drug-target interactions, providing atomic level insights into the physical chemistry of complex formation between macromolecules and ligands. Of the more than 115,000 entries extant in the Protein Data Bank archive, ~75% include at least one non-polymeric ligand. Ligand geometrical and stereochemical quality, the suitability of ligand models for in silico drug discovery/design, and the goodness-of-fit of ligand models to electron density maps vary widely across the archive. We describe the proceedings and conclusions from the first Worldwide Protein Data Bank/Cambridge Crystallographic Data Centre/Drug Design Data Resource (wwPDB/CCDC/D3R) Ligand Validation Workshop held at the Research Collaboratory for Structural Bioinformatics at Rutgers University on July 30-31, 2015. Experts in protein crystallography from academe and industry came together with non-profit and for-profit software providers for crystallography and with experts in computational chemistry and data archiving to discuss and make recommendations on best practices, as framed by a series of questions central to structural studies of macromolecule-ligand complexes. What data concerning bound ligands should be archived in the Protein Data Bank? How should the ligands be best represented? How should structural models of macromolecule-ligand complexes be validated? What supplementary information should accompany publications of structural studies of biological macromolecules? Consensus recommendations on best practices developed in response to each of these questions are provided, together with some details regarding implementation. Important issues addressed but not resolved at the workshop are also enumerated.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

RCSB Protein Data Bank: supporting research and education worldwide through explorations of experimentally determined and computationally predicted atomic level 3D biostructures

The Protein Data Bank (PDB) was established as the first open-access digital data resource in biology and medicine in 1971 with seven X-ray crystal structures of proteins. Today, the PDB houses >210 000 experimentally determined, atomic level, 3D structures of proteins and nucleic acids as well as their complexes with one another and small molecules ( e.g. approved drugs, enzyme cofactors). These data provide insights into fundamental biology, biomedicine, bioenergy and biotechnology. They proved particularly important for understanding the SARS-CoV-2 global pandemic. The US-funded Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and other members of the Worldwide Protein Data Bank (wwPDB) partnership jointly manage the PDB archive and support >60 000 `data depositors' (structural biologists) around the world. wwPDB ensures the quality and integrity of the data in the ever-expanding PDB archive and supports global open access without limitations on data usage. The RCSB PDB research-focused web portal at https://www.rcsb.org/ (RCSB.org) supports millions of users worldwide, representing a broad range of expertise and interests. In addition to retrieving 3D structure data, PDB `data consumers' access comparative data and external annotations, such as information about disease-causing point mutations and genetic variations. RCSB.org also provides access to >1 000 000 computed structure models (CSMs) generated using artificial intelligence/machine-learning methods. To avoid doubt, the provenance and reliability of experimentally determined PDB structures and CSMs are identified. Related training materials are available to support users in their RCSB.org explorations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Regional Assessment for the CO 2 Storage Potential in the Northern Niagaran Pinnacle Reef Trend

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. The report describes the regional analysis of the Northern Niagaran Pinnacle Reef Trend (NNPRT) in Northern Michigan as part of the MRCSP programs Regional Assessment goals. The goal of this task was to perform an initial assessment of the geologic storage capacity and injectivity of the Northern Fairway of Michigan’s Niagaran Reef Trend. This was achieved through three main objectives: 1) development of a reef atlas, 2) understanding the regional trends in geology, and 3) estimating CO 2 and CO 2 -EOR resources. Data collected across multiple subtasks were integrated into a mappable database that could be accessed from many of the leading software. The reef atlas was used to map the reefs and associated characteristics across the entire NNPRT. Several methodologies were explored to estimate the CO 2 and CO 2 -EOR resources across the trend which included three scenarios: 1) storage only using fluid substitution and volumetric estimations, 2) CO 2 -EOR which applied proximity analysis concepts and measured performance metrics from the Core Energy reefs to predict performance at all oil reefs, and 3) enhanced storage scenario which combined CO 2 -EOR with fluid substitution to represent maximized storage after completion of CO 2 -EOR.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Protein Data Bank (PDB): Fifty-three years young and having a transformative impact on science and society

This review article describes the co-evolution of structural biology as a discipline and the Protein Data Bank (PDB), established in 1971 as the first open-access data resource in biology by like-minded structural scientists. As the PDB archive grew in size and scope to encompass macromolecular crystallography, NMR spectroscopy, and cryo-electron microscopy, new technologies were developed to ingest, validate, curate, store, and distribute the information. Community engagement ensured that the needs of structural biologists (data depositors) and data consumers were met. Today, the archive houses more than 230,000 experimentally determined structures of proteins, nucleic acids, and macromolecular machines and their complexes with one another and small-molecule ligands. Aggregate costs of PDB data preservation are ~1% of the cost of structure determination. The enormous impact of PDB data on basic and applied research and education across the natural and medical sciences is presented and highlighted with illustrative examples. Enablement of de novo protein structure prediction (AlphaFold2, RoseTTAfold, OpenFold, etc.) is the most widely appreciated benefit of having a corpus of rigorously validated, expertly curated 3D biostructure data.

bioinformatics↗
NASA NTRS1973

Utilization of ERTS-1 data to monitor and classify eutrophication of inland lakes

The author has identified the following significant results. Significant findings are: (1) one acre lakes and one acre islands are detectable; (2) circular lakes of 7.5 acres and greater reach full density; (3) long channels 100 ft wide are detectable; (4) orientation of lakes is independent of scan direction; (5) lake features are observable in enlargements of CCT imagery produced in the Bendix Earth Resources Data Center; and (6) a decision surface water outline map is presented that was produced from ERTS-1 CCT. A water color literature review, baseline water quality data of the test lakes, and a discussion of geometric corrections of the CCT decision water surface outline map are also presented.

Chase, P. E.↗
DOE OSTI2014

Integration of a constraint-based metabolic model of Brassica napus developing seeds with 13 C-metabolic flux analysis

The use of large-scale or genome-scale metabolic reconstructions for modeling and simulation of plant metabolism and integration of those models with large-scale omics and experimental flux data is becoming increasingly important in plant metabolic research. Here we report an updated version of bna572, a bottom-up reconstruction of oilseed rape (Brassica napus L.; Brassicaceae) developing seeds with emphasis on representation of biomass-component biosynthesis. New features include additional seed-relevant pathways for isoprenoid, sterol, phenylpropanoid, flavonoid, and choline biosynthesis. Being now based on standardized data formats and procedures for model reconstruction, bna572+ is available as a COBRA-compliant Systems Biology Markup Language (SBML) model and conforms to the Minimum Information Requested in the Annotation of Biochemical Models (MIRIAM) standards for annotation of external data resources. Bna572+ contains 966 genes, 671 reactions, and 666 metabolites distributed among 11 subcellular compartments. It is referenced to the Arabidopsis thaliana genome, with gene-protein-reaction (GPR) associations resolving subcellular localization. Detailed mass and charge balancing and confidence scoring were applied to all reactions. Using B. napus seed specific transcriptome data, expression was verified for 78% of bna572+ genes and 97% of reactions. Alongside bna572+ we also present a revised carbon centric model for 13 C-Metabolic Flux Analysis ( 13 C-MFA) with all its reactions being referenced to bna572+ based on linear projections. By integration of flux ratio constraints obtained from 13 C-MFA and by elimination of infinite flux bounds around thermodynamically infeasible loops based on COBRA loopless methods, we demonstrate improvements in predictive power of Flux Variability Analysis (FVA). In conclusion, using this combined approach we characterize the difference in metabolic flux of developing seeds of two B. napus genotypes contrasting in starch and oil content.

13C-metabolic flux analysis↗
NASA NTRS1974

Interpretation techniques

The image enhancement and geometric correction and registration techniques developed and/or demonstrated on ERTS data are relatively mature and greatly enhance the utility of the data for a large variety of users. Pattern recognition was improved by the use of signature extension, feature extension, and other classification techniques. Many of these techniques need to be developed and generalized to become operationally useful. Advancements in the mass precision processing of ERTS were demonstrated, providing the hope for future earth resources data to be provided in a more readily usable state. Also in evidence is an increasing and healthy interaction between the techniques developers and the user/applications investigators.

Dragg, J. L.↗
DOE OSTI2015

Expanding Geothermal Resource Utilization through Directed Research, Education, and Public Outreach

The Great Basin Center for Geothermal Energy (GBCGE or the Center) was established at the University of Nevada, Reno (UNR) in May 2000 to promote research and utilization of geothermal resources. The Center received funding through this grant to promote increased geothermal development in the Great Basin, with most of the funding used for peer-reviewed research. Funding to the Center and work under the contract were initiated in March 2002, with supplemental funding in subsequent years. The Center monitored the research projects that were competitively awarded in a series of proposal calls between 2002 and 2007. Peer-reviewed research promoted identification and utilization of geothermal resources in Nevada. Projects used geology, geochemistry, geophysics, remote sensing, and the synthesis of multi-disciplinary information to produce new models of geothermal systems in the Western U.S. and worldwide. Funds were also used to support graduate student research and training. Part of the grant was used to support public outreach activities, including webpages, online maps and data resources, and informational workshops for stakeholders.

15 GEOTHERMAL ENERGY↗
NASA NTRSDate not supplied

COCPIT: Collaborative Activity Planning Software for Mars Perseverance Rover

Since landing on the Martian surface, the Perseverance rover has relied on a distributed team to generate commands for exploring its new environment each sol(Martian day). The team uses a complex suite of software tools to accomplish this challenging task in time for the next window of opportunity to send commands to the rover. A key piece of this software ecosystem is COCPIT (Component-based Campaign Planning, Implementation, and Tactical). COCPIT is part of the next generation of planning and scheduling software tools developed by NASA's Jet Propulsion Laboratory in partnership with NASA's Ames Research Center. COCPIT is a web-based application that allows users to collaboratively view and update the Perseverance rover's activity plans, continuously verify that the plan satisfies constraints, assign targets for directing scientific instruments, document science intent, and model power and data resources. Mars Surface Operations requires diverse expertise from team members within the Engineering, Science, Robotic, and Instrument Operations groups, distributed across North America and Europe. In order to improve efficiency and reduce risk, all teams are able to review and edit their activities simultaneously and see the effects on the plan in its entirety. As part of the Ground Data System (GDS) tool suite, COCPIT is responsible for the activity plan. It provides specialized views that allow operators to understand where there may be room for additional observations, see whether any planning constraints are being violated, and confirm that energy usage and data generation are within the defined limits. It contains details such as which filters a camera will use for a given observation, what the resolution of the images should be, where to store the data onboard, and how long the observation is expected to take. It predicts when specific data will be downlinked from the rover to a passing orbiter, so that the team knows when to expect that data on Earth for evaluation in future planning. Ultimately the information from the COCPIT plan is translated to sequences that will be bundled and radiated to Perseverance for execution. The COCPIT tool is used throughout all planning phases.

activity planning↗
NASA NTRSDate not supplied

COCPIT: Collaborative Activity Planning Software for Mars Perseverance Rover

Since landing on the Martian surface, the Perseverance rover has relied on a distributed team to generate commands for exploring its new environment each sol(Martian day). The team uses a complex suite of software tools to accomplish this challenging task in time for the next window of opportunity to send commands to the rover. A key piece of this software ecosystem is COCPIT (Component-based Campaign Planning, Implementation, and Tactical). COCPIT is part of the next generation of planning and scheduling software tools developed by NASA's Jet Propulsion Laboratory in partnership with NASA's Ames Research Center. COCPIT is a web-based application that allows users to collaboratively view and update the Perseverance rover's activity plans, continuously verify that the plan satisfies constraints, assign targets for directing scientific instruments, document science intent, and model power and data resources. Mars Surface Operations requires diverse expertise from team members within the Engineering, Science, Robotic, and Instrument Operations groups, distributed across North America and Europe. In order to improve efficiency and reduce risk, all teams are able to review and edit their activities simultaneously and see the effects on the plan in its entirety. As part of the Ground Data System (GDS) tool suite, COCPIT is responsible for the activity plan. It provides specialized views that allow operators to understand where there may be room for additional observations, see whether any planning constraints are being violated, and confirm that energy usage and data generation are within the defined limits. It contains details such as which filters a camera will use for a given observation, what the resolution of the images should be, where to store the data onboard, and how long the observation is expected to take. It predicts when specific data will be downlinked from the rover to a passing orbiter, so that the team knows when to expect that data on Earth for evaluation in future planning. Ultimately the information from the COCPIT plan is translated to sequences that will be bundled and radiated to Perseverance for execution. The COCPIT tool is used throughout all planning phases.

activity planning↗
NASA NTRS2022

COCPIT: Collaborative Activity Planning Software for Mars Perseverance Rover

Since landing on the Martian surface, the Perseverance rover has relied on a distributed team to generate commands for exploring its new environment each sol (Martian day). The team uses a complex suite of software tools to accomplish this challenging task in time for the next window of opportunity to send commands to the rover. A key piece of this software ecosystem is COCPIT (Component-based Campaign Planning, Implementation, and Tactical). COCPIT is part of the next generation of planning and scheduling software tools developed by NASA's Jet Propulsion Laboratory in partnership with NASA's Ames Research Center. COCPIT is a web-based application that allows users to collaboratively view and update the Perseverance rover's activity plans, continuously verify that the plan satisfies constraints, assign targets for directing scientific instruments, document science intent, and model power and data resources. Mars Surface Operations requires diverse expertise from team members within the Engineering, Science, Robotic, and Instrument Operations groups, distributed across North America and Europe. In order to improve efficiency and reduce risk, all teams are able to review and edit their activities simultaneously and see the effects on the plan in its entirety. As part of the Ground Data System (GDS) tool suite, COCPIT is responsible for the activity plan. It provides specialized views that allow operators to understand where there may be room for additional observations, see whether any planning constraints are being violated, and confirm that energy usage and data generation are within the defined limits. It contains details such as which filters a camera will use for a given observation, what the resolution of the images should be, where to store the data onboard, and how long the observation is expected to take. It predicts when specific data will be downlinked from the rover to a passing orbiter, so that the team knows when to expect that data on Earth for evaluation in future planning. Ultimately the information from the COCPIT plan is translated to sequences that will be bundled and radiated to Perseverance for execution. The COCPIT tool is used throughout all planning phases.

Kanefsky, Bob↗
NASA NTRS2006

Identifying Basic Factors for Communal Prosperity - Space Technologies are Bridging this Gap

There are many aspects, which are important for maintaining environmentally clean and safe conditions for a healthy and economically self-sufficient community. This problem was somewhat of a lesser concern in earlier days because many communities were small, isolated and solely dependent upon their owners or landlords. Due to an astronomical growth in human population within the last century, extensive use of combustion technologies, and changing environmental conditions has resulted in scarcity of natural resources. In reality, the societal sustainability issues are becoming much more acute and complex. Therefore, the researchers and social scientists are joining forces to address these topics and find solutions to many contentious areas such as public health and diseases, water resources, agriculture production, survivability during and after the natural disasters, energy needs and many others. Forthrightly speaking, there is no canned solution or a methodology to go about solving these issues since the magnitude and complexity of these issues are multi-dimensional and are further inter-locked with other areas. A common sense tells us that we need data, resources and technologies to begin addressing these problems. This is where space observations have provided us with tremendous information and opportunities, which are of great assets to the science, economist, and social scientists. This paper specifically addresses what are critical areas for a successful societal sustainability and growth; and how can we take advantage of multiple sensors and models already in existence. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a pre-requisite in understanding multiple hazard phenomena's. This paper further examines various space sensors and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing such valuable information so the decision makers can take full advantage in making timely societal decisions.

Habib, Shahid↗