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NASA NTRS2023

Data Sharing in Radiation Biology: Towards FAIR

The value of scientific data depends on their findability, accessibility, integrability and reusability according to the FAIR principles. Together with the sustainability of data preservation and access, these principles underpin the long term benefits of scientific research. Within the domain of radiobiology we have a huge array of data types, themes and complexities which make standardisation of metadata, data structure and data integration very challenging. Moreover, it is clear that, for example, in the area of disaster preparedness, the ready discovery and availability of multiple types of data, for example on biological effects of exposure, climatology, ecology, human behavioural and attitudinal studies, is important for an integrated scientific approach. Because these data are spread over many databases, journal supplementary information resources and even the computers of the investigators, their discovery and reuse can be challenging. Despite exhortations from funding agencies and scientific institutions over the past two decades there is still a serious deficit in the willingness and in some cases the ability of investigators to share data, and although much may not be formally "Public domain“, information about the existence of the data, their metadata, and how to obtain them should always be available. We report the progress of work on three databases, the STORE and the NASA GeneLab and LSDA repositories to leverage the Radiation Biology Ontology (RBO), a structured terminology for metadata that can be used by all radiation biology-relevant databases to unite federated and automated data searches across multiple databases, for example using web services, and through semantic web technologies supporting data discovery. The initial primary use-cases for RBO were archiving data in the STORE database (https://www.storedb.org/), the repository used for the RadoNorm and Pianoforte Projects among others, and in the NASA Open Science Data Repository (https://osdr.nasa.gov/bio). The scope of radiobiology research ranges from basic physics to radiation oncology to sociolegal studies; no existing ontology had the necessary breadth or depth to fulfill this need. In addition, a formal ontology has the advantage of being usable for machine learning and, importantly, for tasks like data integration, knowledge extraction from the scientific literature and for query extension and data classification. Standardisation of metadata is one of the primary objectives of the FAIR principles for open data; RBO is an important landmark for FAIR-compliant radiation biology data sharing. The RBO is developed using the open-source tools of GitHub and the OBO Foundry-led Ontology Development Kit, and published through GitHub and the NIH/NCBI BioPortal website. This initial phase of concept modeling has yielded an ontology that has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies with relevance to radiation biology (for example, concepts from the ISO standard Basic Formal Ontology, the Environment Ontology and the Gene Ontology). We welcome input into the development of RBO and encourage its adoption.

ontologies↗

NASA NTRSDate not supplied

Crowd Sourcing Medical Data Collection Using Medical Students

OBJECTIVE We undertook an upgrade of the Evidence Library database of NASA HRP’s Integrated Medical Model, assessing 120 medical conditions which integrate with a novel probabilistic risk assessment (IMPACT) tool of medical risk and resource utilization for long duration exploration human spaceflight. This data collection process included a selection of these conditions crowd sourced over one year via three 4-week medical student electives at the University of Colorado School of Medicine (IDPT 8059 Space Medicine: Human Spaceflight Factors & Medical Risk Assessment). Students undertook a rapid systematic review of each medical condition, under close preceptors with backgrounds in clinical medicine, library science, epidemiology, biostatistics, and evidence-based medicine. As part of the elective, students also received instruction in core space medicine concepts, evidence based medicine and problem based learning sessions as a flight surgeon supporting a simulated Mars mission. METHODS The list of 120 medical conditions includes both common, terrestrial illness/injury (epistaxis, diverticulitis) as well as spaceflight-specific ones (space adaptation conditions, EVA-related injuries). A rapid systematic review process was developed that would allow students to find the data for determining disease incidence/prevalence, return to definitive care (often a surrogate such as hospitalization rates), loss of crew life, and treatment duration. Each data point required a tailored, specialized search process using different databases and corresponding specialized search filters. Databases were selected on their ability to provide high quality literature in an efficient manner and prioritized by their ability to provide graded evidence via a set rubrics specific to human spaceflight. Students were responsible for performing all literature searches and identifying the highest quality available evidence for each data point. Completed student data sheets underwent initial review by faculty preceptors followed by a secondary editing review by the ExMC Clinical Science Team. RESULTS Over the course of three electives, approximately 105 medical conditions were researched by students using spreadsheets with pre-crafted search strategies. Overall, this process was successful in allowing students to perform the preponderance of work to update incidence, treatment duration, return to definitive care, and loss of crew life data points. Students were successful in running searches, identifying the necessary data points within the literature, and determining the types of terrestrial data that most aligns with the astronaut population for successful completion of their tasks. Limitations included variable student experience with search methodologies [PubMed], differing values of evidence grading [best practice evidence based medicine vs. relevant to spaceflight], and students’ unfamiliarity with spaceflight specific conditions. CONCLUSION Finding the relevant literature for medical conditions in spaceflight within terrestrial databases in a systematic method is time consuming and not intuitive. However, the stepwise process that balanced sensitivity with specificity allowed for students to be highly successful in a short amount of time. Additionally, as the process was refined over the course of three electives, preceptors were better able to anticipate where students were likely to encounter barriers, which allowed the course to be adjusted to account for certain data points needing more time for completion. This replicable process may be an efficient way to accomplish rapid systematic reviews for a large volume of data in a short amount of time.

J Lemery↗

DOE OSTI2024

Nvd Search To Stix

This code is a python based application that queries the National Vulnerability Database (NVD) API search term and CPE endpoints. It then sifts through the API response and uses the STIX2 python package to create STIX SDOs, SROs, and SCOs from the applicable data. If there are CWEs associated with the bundle, it queries the OpenCVE API for information on the weakness, then translates that data to STIX as well. It then combines all the data into a STIX bundle and outputs it to a JSON file.

Beckman, BryanR [Idaho National Laboratory (INL), ↗

NASA NTRS2006

Automated Assignment of Proposals to Reviewers

A computer program automates the process of selecting unbiased peer reviewers of research proposals submitted to NASA. Heretofore, such selection has been performed by manual searching of two large databases subject to a set of assignment rules. One database lists proposals and proposers; the other database lists potential reviewers. The manual search takes an average of several weeks per proposal. In contrast, the present software can perform the selection in seconds. The program begins by selecting one entry from each database, then applying the assignment rules to this pair of entries. If and only if all the assignment rules are satisfied, the chosen reviewer is assigned to the chosen proposal. The assignment rules enforced by the program are (1) a maximum allowable number of proposals assigned to a single reviewer; (2) a maximum allowable number of reviewers assigned to a single proposal; (3) if the proposing team includes a member affiliated with an industry, then the reviewer must not be affiliated with any industry; and (4) the reviewer must not be a member of the proposing team or affiliated with the same institution as that of a member of the proposing team.

Kantak, Anil↗

NASA NTRS2011

NASA's Global Change Master Directory: Discover and Access Earth Science Data Sets, Related Data Services, and Climate Diagnostics

NASA's Global Change Master Directory provides the scientific community with the ability to discover, access, and use Earth science data, data-related services, and climate diagnostics worldwide. The GCMD offers descriptions of Earth science data sets using the Directory Interchange Format (DIF) metadata standard; Earth science related data services are described using the Service Entry Resource Format (SERF); and climate visualizations are described using the Climate Diagnostic (CD) standard. The DIF, SERF and CD standards each capture data attributes used to determine whether a data set, service, or climate visualization is relevant to a user's needs. Metadata fields include: title, summary, science keywords, service keywords, data center, data set citation, personnel, instrument, platform, quality, related URL, temporal and spatial coverage, data resolution and distribution information. In addition, nine valuable sets of controlled vocabularies have been developed to assist users in normalizing the search for data descriptions. An update to the GCMD's search functionality is planned to further capitalize on the controlled vocabularies during database queries. By implementing a dynamic keyword "tree", users will have the ability to search for data sets by combining keywords in new ways. This will allow users to conduct more relevant and efficient database searches to support the free exchange and re-use of Earth science data. http://gcmd.nasa.gov/

Aleman, Alicia↗

NASA NTRS2010

Adaptive search in mobile peer-to-peer databases

Information is stored in a plurality of mobile peers. The peers communicate in a peer to peer fashion, using a short-range wireless network. Occasionally, a peer initiates a search for information in the peer to peer network by issuing a query. Queries and pieces of information, called reports, are transmitted among peers that are within a transmission range. For each search additional peers are utilized, wherein these additional peers search and relay information on behalf of the originator of the search.

Wolfson, Ouri↗

DOE OSTI2026

Hardware Implementation of Grover's Search Algorithm

Grover's algorithm searches through an unstructured database, offering a quadratic speedup over classical search algorithms. We implement it, as well as two deterministic variants, on IBM (Kingston) and IQM (Garnet) hardware. Additionally, we test dynamical decoupling as an error mitigation technique. We compare our results to a classical, brute force approach to evaluate current hardware capabilities.

Pressman, Daniel [Fermilab]↗

NASA NTRS2001

Buckets: Smart Objects for Digital Libraries

Current discussion of digital libraries (DLs) is often dominated by the merits of the respective storage, search and retrieval functionality of archives, repositories, search engines, search interfaces and database systems. While these technologies are necessary for information management, the information content is more important than the systems used for its storage and retrieval. Digital information should have the same long-term survivability prospects as traditional hardcopy information and should be protected to the extent possible from evolving search engine technologies and vendor vagaries in database management systems. Information content and information retrieval systems should progress on independent paths and make limited assumptions about the status or capabilities of the other. Digital information can achieve independence from archives and DL systems through the use of buckets. Buckets are an aggregative, intelligent construct for publishing in DLs. Buckets allow the decoupling of information content from information storage and retrieval. Buckets exist within the Smart Objects and Dumb Archives model for DLs in that many of the functionalities and responsibilities traditionally associated with archives are pushed down (making the archives dumber) into the buckets (making them smarter). Some of the responsibilities imbued to buckets are the enforcement of their terms and conditions, and maintenance and display of their contents.

Nelson, Michael L.↗

DOE OSTI2021

AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement

Crystallographic phasing recovers the phase information that is lost during a diffraction experiment. Molecular replacement is a commonly used phasing method for crystal structures in the protein data bank. In one form it uses a protein sequence to search a structure database to find suitable templates for phasing. However, sequence information is not always available, such as when proteins are crystallized with unknown binding partner proteins or when the crystal is of a contaminant. The recent development of AlphaFold published the predicted protein structures for every protein from twenty distinct species. In this work, we tested whether AlphaFold-predicted E. coli protein structures were accurate enough to enable sequence-independent phasing of diffraction data from two crystallization contaminants of unknown sequence. Using each of more than 4000 predicted structures as a search model, robust molecular replacement solutions were obtained, which allowed the identification and structure determination of YncE and YadF. Our results demonstrate the general utility of the AlphaFold-predicted structure database with respect to sequence-independent crystallographic phasing.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Implementation and analysis of quantum computing application to Higgs boson reconstruction at the large Hadron Collider

With the advent of the High-Luminosity Large Hadron Collider (HL-LHC) era, high energy physics (HEP) event selection will require new approaches to rapidly and accurately analyze vast databases. The current study addresses the enormity of HEP databases in an unprecedented manner—a quantum search using Grover’s Algorithm (GA) on an unsorted database, ATLAS Open Data, from the ATLAS detector. A novel method to identify rare events at 13 TeV in CERN’s LHC using quantum computing (QC) is presented. As indicated by the Higgs boson decay channel H→ZZ*→4l , the detection of four leptons in one event may be used to reconstruct the Higgs boson and, more importantly, evince Higgs boson decay to some new phenomena, such as H→ZZ d →4l . Searching the dataset for collisions resulting in detection of four leptons using a Jupyter Notebook, a classical simulation of GA, and several quantum computers with multiple qubits, the current application was found to make the proper selection in the unsorted dataset. Quantum search efficacy was analyzed for the incoming HL-LHC by implementing the QC method on multiple classical simulators and IBM’s quantum computers with the IBM Qiskit Open Source Software. The current QC application provides a novel, high-efficiency alternative to classical database searches, demonstrating its potential utility as a rapid and increasingly accurate search method in HEP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

The Natural Products Magnetic Resonance Database (NP-MRD) for 2025

The Natural Products Magnetic Resonance Database or NP-MRD (https://np-mrd.org) is a comprehensive, freely accessible, web-based resource for the deposition, distribution, extraction and retrieval of nuclear magnetic resonance (NMR) data on natural products. The NP-MRD was initially established to support compound de-replication and data dissemination for the natural products community. However, that community has now grown to include many users from the metabolomics, microbiomics, foodomics and nutrition science fields. Indeed, since its launch in 2021, the NP-MRD has expanded enormously in size, scope and popularity. The current version of NP-MRD now contains nearly 7X more compounds (281,859 vs. 40,908) and 7X more NMR spectra (5.1 million vs. 817,000) than the first release. More specifically, an additional 4.6 million predicted spectra and another 11,000 spectra simulated from experimental chemical shifts were deposited into the database. Likewise, the number of NMR raw spectral data depositions has grown from a 165 spectra per year to more than 10,000 per year. As a result of this expansion, the number of monthly webpage views has grown from 55 to 20,000 and the number of monthly visitors has increased from 7 to 2500. To address this growth and to better support the expanding needs of its diverse community of users, many additional improvements to the NP-MRD have been made. These include significant enhancements to the data submission process, important improvements to the visualization and display of NMR spectra, notable updates to the database’s spectral search utilities and useful additions to support better NMR spectral analysis/prediction. Significant efforts have also been undertaken to remediate and update many of NP-MRD’s database entries. This manuscript describes these database improvements and expansion efforts, along with how they have been implemented and what future upgrades to the NP-MRD are planned.

Artifical Intelligence↗

NASA NTRS1984

EROS main image file - A picture perfect database for Landsat imagery and aerial photography

The Earth Resources Observation System (EROS) Program was established by the U.S. Department of the Interior in 1966 under the administration of the Geological Survey. It is primarily concerned with the application of remote sensing techniques for the management of natural resources. The retrieval system employed to search the EROS database is called INORAC (Inquiry, Ordering, and Accounting). A description is given of the types of images identified in EROS, taking into account Landsat imagery, Skylab images, Gemini/Apollo photography, and NASA aerial photography. Attention is given to retrieval commands, geographic coordinate searching, refinement techniques, various online functions, and questions regarding the access to the EROS Main Image File.

Jack, R. F.↗

NASA NTRS1992

STARBASE: Database software for the automated plate scanner

The Automated Plate Scanner (APS) of the University of Minnesota, a unique high speed 'flying spot' laser scanner, is currently being used to scan and digitize the 936 O and E plate pairs of the first epoch Palomar Sky Survey. The resultant database will be used to produce a catalog of approximately a billion stars and several million galaxies. The authors describe the ongoing development of a dedicated APS database management system which will be made available to the astronomical community via INTERNET. A specialized DBMS called STARBASE has been written to provide fast access to the hundreds of millions of images collected by the APS. This system provides an initial reduction mode for parameterizing APS images and classifying image types using a novel set of neural network image classifiers. A second analysis mode, which will be that commonly used by the general user, provides for searches of the database which may be constrained by any combination of physical and positional parameters. Through the use of pointer hash trees, the system has been optimized for extremely fast positional searches using either right ascension and declination on the sky or linear X and Y positions on the POSS field. In addition to fast data retrieval, the system provides a graphical interface for displaying scatter plots or histograms of the collected data. In addition, a specialized image display system is being developed to allow the user to view densitometric data for all objects classified as extended by the neural network system. Finally, STARBASE has a flexible programmable interface which allows other programs to access information in the database. This allows users to write applications suited to their particular needs to process APS data.

Odewahn, S. C.↗

NASA NTRS1996

(abstract) Ion-Molecule Reactions at Your Finger Tips

A standalone search engine is described along with a database of ion-molecule kinetics. The engine is available for either Macintosh or IBM/PC computers. The engine will search a supplied database of ion-molecule kinetics data for two body reactions and positive ions. The database includes data found in various publications and reference works written by the author. Currently that database has over 10 600 reaction entries and uses over 1 000 referenced citations. Searches of the database can be by either reactants or products and either ions or neutrals. Narrowing searches can be made on up to three specifications. Reports of the searches are either viewed on the screen or printed. The reports also include the short list of references cited.

ion-molecule reactions search engine database ion-↗

NASA NTRS2000

On-Line Database of Vibration-Based Damage Detection Experiments

This paper describes a new, on-line bibliographic database of vibration-based damage detection experiments. Publications in the database discuss experiments conducted on actual structures as well as those conducted with simulated data. The database can be searched and sorted in many ways, and it provides photographs of test structures when available. It currently contains 100 publications, which is estimated to be about 5-10% of the number of papers written to date on this subject. Additional entries are forthcoming. This database is available for public use on the Internet at the following address: http://sdbpappa-mac.larc.nasa.gov. Click on the link named "dd_experiments.fp3" and then type "guest" as the password. No user name is required.

Pappa, Richard S.↗

NASA NTRS2003

Termolecular ion-molecule reactions in Titan's atmosphere. IV. A search made at up to 1 micron in pure hydrocarbons

The results of a study of ion-molecule reactions occurring in pure methane, acetylene, ethylene, ethane, propyne, propene, propane, and diacetylene at pressures up to 40 microns of pressure are reported. A variety of experimental methods are used: The standard double resonance in an ICR, for determination of the precursor ions and the modulated double resonance ejection in an ICR, for the determination of the daughter ions. The FA-SIFT technique was used for validation and examination of termolecular reactions with rate coefficients that are less than 10(-26) cm(6) s(-1). An extensive database of reaction kinetics already exists for many of these reactions. The main point of this study was the determination of the accuracy of this database and to search for any missing reactions and reaction channels that may have been omitted from earlier investigations. A specific objective of this work was to extend the study to the highest pressures possible to find out if there were any important termolecular reaction channels occurring. A new approach was used here. In the pure hydrocarbon gases the mass spectra were followed as a function of the pressure changes of the gas. An initial guess was first made using the current literature as a source of the reaction kinetics that were expected. A model of the ion abundances was produced from the solution of the partial differential equations in terms of reaction rate coefficients and initial abundances. The experimental data was fitted to the model for all of the pressures by a least squares minimization to the reaction rate coefficients and initial abundances. The reaction rate coefficients obtained from the model were then compared to the literature values. Several new channels and reactions were discovered when the modeled fits were compared to the actual data. This is all explained in the text and the implications of these results are discussed for the Titan atmosphere.

Hydrocarbons, Acyclic/analysis↗

NASA NTRS2005

A Search for Transiting Neptune-Mass Extrasolar Planets in High-Precision Photometry of Solar-Type Stars

Tennessee State University operates several automatic photometric telescopes (APTs) at Fairborn Observatory in southern Arizona. Four 0.8 m APTs have been dedicated to measuring subtle luminosity variations that accompany magnetic cycles in solar-type stars. Over 1000 program and comparison stars have been observed every clear night in this program for up to 12 years with a precision of approximately 0.0015 mag for a single observation. We have developed a transit-search algorithm, based on fitting a computed transit template for each trial period, and have used it to search our photometric database for transits of unknown companions. Extensive simulations with the APT data have shown that we can reliably recover transits with periods under 10 days as long as the transits have a depth of at least 0.0024 mag, or about 1.6 times the scatter in the photometric observations. Thus, due to our high photometric precision, we are sensitive to transits of possible short-period Neptune-mass planets that likely would have escaped detection by current radial velocity techniques. Our search of the APT data sets for 1087 program and comparison stars revealed no new transiting planets. However, the detection of several unknown grazing eclipsing binaries from among our comparison stars, with eclipse depths of only a few millimags, illustrates the success of our technique. We have used this negative result to place limits on the frequency of Neptune-mass planets in close orbits around solar-type stars in the Sun's vicinity.

Henry, Stephen M.↗

DOE OSTI2020

Quantum anomalous Hall effect in two-dimensional magnetic insulator heterojunctions

Abstract Recent years have witnessed tremendous success in the discovery of topological states of matter. Particularly, sophisticated theoretical methods in time-reversal-invariant topological phases have been developed, leading to the comprehensive search of crystal database and the prediction of thousands of topological materials. In contrast, the discovery of magnetic topological phases that break time reversal is still limited to several exemplary materials because the coexistence of magnetism and topological electronic band structure is rare in a single compound. To overcome this challenge, we propose an alternative approach to realize the quantum anomalous Hall (QAH) effect, a typical example of magnetic topological phase, via engineering two-dimensional (2D) magnetic van der Waals heterojunctions. Instead of a single magnetic topological material, we search for the combinations of two 2D (typically trivial) magnetic insulator compounds with specific band alignment so that they can together form a type-III broken-gap heterojunction with topologically non-trivial band structure. By combining the data-driven materials search, first-principles calculations, and the symmetry-based analytical models, we identify eight type-III broken-gap heterojunctions consisting of 2D ferromagnetic insulators in the MXY compound family as a set of candidates for the QAH effect. In particular, we directly calculate the topological invariant (Chern number) and chiral edge states in the MnNF/MnNCl heterojunction with ferromagnetic stacking. This work illustrates how data-driven material science can be combined with symmetry-based physical principles to guide the search for heterojunction-based quantum materials hosting the QAH effect and other exotic quantum states in general.

36 MATERIALS SCIENCE↗