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NASA NTRS2013

Science Data Preservation: Implementation and Why It Is Important

Remote Sensing data generation by NASA to study Earth s geophysical processes was initiated in 1960 with the launch of the first Television Infrared Observation Satellite Program (TIROS), to develop a meteorological satellite information system. What would be deemed as a primitive data set by today s standards, early Earth science missions were the foundation upon which today s remote sensing instruments have built their scientific success, and tomorrow s instruments will yield science not yet imagined. NASA Scientific Data Stewardship requirements have been documented to ensure the long term preservation and usability of remote sensing science data. In recent years, the Federation of Earth Science Information Partners and NASA s Earth Science Data System Working Groups have organized committees that specifically examine standards, processes, and ontologies that can best be employed for the preservation of remote sensing data, supporting documentation, and data provenance information. This presentation describes the activities, issues, and implementations, guided by the NASA Earth Science Data Preservation Content Specification (423-SPEC-001), for preserving instrument characteristics, and data processing and science information generated for 20 Earth science instruments, spanning 40 years of geophysical measurements, at the NASA s Goddard Earth Sciences Data and Information Services Center (GES DISC). In addition, unanticipated preservation/implementation questions and issues in the implementation process are presented.

Kempler, Steven J.↗

NASA NTRS2015

Geocuration Lessons Learned from the Climate Data Initiative Project

Curation is traditionally defined as the process of collecting and organizing information around a common subject matter or a topic of interest and typically occurs in museums, art galleries, and libraries. The task of organizing data around specific topics or themes is a vibrant and growing effort in the biological sciences but to date this effort has not been actively pursued in the Earth sciences. This presentation will introduce the concept of geocuration, which we define it as the act of searching, selecting, and synthesizing Earth science data/metadata and information from across disciplines and repositories into a single, cohesive, and useful compendium. We also present the Climate Data Initiative (CDI) project as an prototypical example. The CDI project is a systematic effort to manually curate and share openly available climate data from various federal agencies. CDI is a broad multi-agency effort of the U.S. government and seeks to leverage the extensive existing federal climate-relevant data to stimulate innovation and private-sector entrepreneurship to support national climate change preparedness. The geocuration process used in the CDI project, key lessons learned, and suggestions to improve similar geocuration efforts in the future will be part of this presentation.

climate↗

NASA NTRS2015

Climate Data Initiative: A Geocuration Effort to Support Climate Resilience

Curation is traditionally defined as the process of collecting and organizing information around a common subject matter or a topic of interest and typically occurs in museums, art galleries, and libraries. The task of organizing data around specific topics or themes is a vibrant and growing effort in the biological sciences but to date this effort has not been actively pursued in the Earth sciences. In this paper, we introduce the concept of geocuration and define it as the act of searching, selecting, and synthesizing Earth science data/metadata and information from across disciplines and repositories into a single, cohesive, and useful collection. We present the Climate Data Initiative (CDI) project as a prototypical example. The CDI project is a systematic effort to manually curate and share openly available climate data from various federal agencies. CDI is a broad multi-agency effort of the U.S. government and seeks to leverage the extensive existing federal climate-relevant data to stimulate innovation and private-sector entrepreneurship to support national climate-change preparedness. We describe the geocuration process used in the CDI project, lessons learned, and suggestions to improve similar geocuration efforts in the future.

Metada↗

NASA NTRS2015

Climate Data Initiative: A Geocuration Effort to Support Climate Resilience

Curation is traditionally defined as the process of collecting and organizing information around a common subject matter or a topic of interest and typically occurs in museums, art galleries, and libraries. The task of organizing data around specific topics or themes is a vibrant and growing effort in the biological sciences but to date this effort has not been actively pursued in the Earth sciences. In this paper, we introduce the concept of geocuration and define it as the act of searching, selecting, and synthesizing Earth science data/metadata and information from across disciplines and repositories into a single, cohesive, and useful compendium We present the Climate Data Initiative (CDI) project as an exemplar example. The CDI project is a systematic effort to manually curate and share openly available climate data from various federal agencies. CDI is a broad multi-agency effort of the U.S. government and seeks to leverage the extensive existing federal climate-relevant data to stimulate innovation and private-sector entrepreneurship to support national climate-change preparedness. We describe the geocuration process used in CDI project, lessons learned, and suggestions to improve similar geocuration efforts in the future.

virtual collections↗

NASA NTRS2019

Biomarker and Geochemical Assay Validation in Mars Analog Sites: Lessons from the FELDSPAR (Field Exploration and Life Detection Sampling for Planetary Analog Research) Project

Missions looking for signs of life on other worlds can often only take a few samples once they arrive. Making sense of these "few and far between" observations is easier if we know what a "normal" level of variation for that kind of planet is. Recent eruption sites in Iceland are good places to learn about this, because they have very little life present and the same types of rocks as many places on Mars. We have visited several of these sites in Iceland and tested many different kinds of measurements: the energy available for life, the amount of DNA (an important biological molecule) present, the relative amounts of different kinds of micro-organisms, and the specific minerals that make up the rocks and ground. In addition to recommendations for future expeditions, we have also shown that using early on-site measurements to choose later on-site sample sites is very helpful in reducing the number of sample sites needed.

Geochemical Assay Validation↗

NASA NTRS2019

GeneLab: A Systems Biology Platform for Omics Analysis

NASA GeneLab is an open-access repository for omics datasets generated by biological experiments conducted in space or experiments relevant to spaceflight (e.g. simulated cosmic radiation, simulated microgravity, bed rest studies). The GeneLab Data Systems (GLDS) version 4.0 will be available on October 1st 2019, and will provide the latest in terms of professional state-of-the-art bioinformatics platform for the space biology and radiation community to upload their data into an omics data commons, to process their data with vetted standard workflows and to compare to existing analyses. Started in 2015 as a repository designed to archive omics data from space experiments, GeneLab has expanded its scope to all ionizing radiation omics experiments conducted on the ground and has put considerable effort in providing carefully characterized radiation metadata on all dataset. GeneLab is also providing processed data derived from the raw data covering a large spectrum of omics (genome, epigenome, transcriptome, epitranscriptome, proteome, metabolome) to help users explore important questions: 1) Which genes or proteins are expressed differently in space for various living organisms? 2) What specific DNA mutations or epigenetic changes happen in space or after exposure to ionizing radiation? and 3) How does genetics affect these responses? Processed data available on GeneLab are derived by standard data analysis workflows vetted by hundreds of scientists who volunteered to join one of the four GeneLab Analysis Working Groups (Animal AWG, Plant AWG, Microbe AWG, Multi-Omics AWG). In this presentation, we will discuss how to bridge the gap between irradiation studies performed on earth and biological experiments conducted in space since the early 1990's. We will discuss how radiation dosimetry was estimated for datasets derived from samples collected during the Space Shuttle era or on the International Space Station. Finally, we will address future strategies regarding dose monitoring in future missions into space, inter-agency efforts to unify data under one umbrella, and knowledge dissemination across the radiation research community and the space biology community.

open-science↗

NASA NTRS2019

NASA GeneLab Space Omics Database: Expanding from Space to Ionizing Radiation Data on the Ground

NASA GeneLab is an open-access repository for omics datasets generated by biological experiments conducted in space or ground experiments relevant to spaceflight (e.g. simulated cosmic radiation, simulated microgravity, bed rest studies). The GeneLab Data Systems (GLDS) version 4.0 will be available on October 1st 2019, and will provide a state-of-the-art bioinformatics platform for the space biology and radiation communities to upload their data into an omics data commons, to process their data with vetted standard workflows and to compare with existing analyses. Started in 2015 as a repository designed to archive omics data from space experiments, GeneLab has expanded its scope to all ionizing radiation omics experiments conducted on the ground and has put considerable effort in providing carefully characterized radiation metadata on all datasets. GeneLab is also providing processed data derived from the raw data covering a large spectrum of omics (genome, epigenome, transcriptome, epitranscriptome, proteome, metabolome) to help users explore important questions: 1) Which genes or proteins are expressed differently in space for various living organisms? 2) What specific DNA mutations or epigenetic changes happen in space or after exposure to ionizing radiation? and 3) How does genetics affect these responses? Processed data available on GeneLab are derived by standard data analysis workflows vetted by hundreds of scientists who volunteered to join one of the four GeneLab Analysis Working Groups (Animal AWG, Plant AWG, Microbe AWG, Multi-Omics AWG). In this presentation, we will discuss how to bridge the gap between irradiation studies performed on earth and biological experiments conducted in space since the early 1990's. We will discuss how radiation dosimetry was estimated for datasets derived from samples collected during the Space Shuttle era on the International Space Station and on other orbiting platforms. Finally, we will address future strategies regarding dose monitoring in future missions into space, inter-agency efforts to unify data under one umbrella, and knowledge dissemination across the radiation research community and the space biology community.

open-science↗

NASA NTRSDate not supplied

Developing Technologies for Biological Experiments in Deep Space

NASA Ames Research Center is the leader in developing autonomous nanosatellites or CubeSats to address strategic knowledge gaps about the effects of space travel on biological organisms, including GeneSat, PharmaSat, and EcAMSat. Now that NASA has set its sights on human exploration in deep space, such missions require significant technological and biomedical countermeasures to protect astronauts from chronic radiation exposure. CubeSats can inform these countermeasures by querying relevant space environments with model organisms and/or biosensors. BioSentinel will be the first interplanetary CubeSat to study the biological response to space radiation outside low Earth orbit in almost 50 years. BioSentinel is an autonomous platform able to support biology and to investigate the effects of space radiation on a model organism in interplanetary deep space. It will fly onboard Artemis-1, from which it will be deployed on a lunar fly-by trajectory and into a heliocentric orbit. BioSentinel, a 6U CubeSat (1U = 10-cm cube), will measure the DNA damage response to ambient space radiation in a model organism, which will be compared to information provided by an onboard radiation spectrometer and to data obtained on the ISS and on Earth. Even though the primary objective of the mission is to develop an autonomous spacecraft capable of conducting biological experiments in deep space, the 4U BioSensor science payload contained within the free-flyer is an adaptable instrument that can perform bio measurements with different microorganisms and in multiple space environments, including the ISS, lunar gateway, and on the surface of the Moon. Thus, nanosatellites like BioSentinel can be used to study the effects of both reduced gravity and space radiation and can house different organisms to answer specific science questions. In addition to their flexibility, nanosatellites also provide a low-cost alternative to more complex and larger missions, and require minimal crew support, if any

biosenses↗

NASA NTRSDate not supplied

Developing Technologies for Biological Experiments in Deep Space

biosenses↗

NASA NTRSDate not supplied

BioSentinel - ISS mission

BioSentinel will be the first interplanetary CubeSat to study the biological response to space radiation outside low Earth orbit in almost 50 years. BioSentinel is an autonomous platform able to support biology and to investigate the effects of space radiation on a model organism in interplanetary deep space. It will fly onboard Artemis-1, from which it will be deployed on a lunar fly-by trajectory and into a heliocentric orbit. BioSentinel, a 6U CubeSat (1U = 10-cm cube), will measure the DNA damage response to ambient space radiation in a model organism, which will be compared to information provided by an onboard radiation spectrometer and to data obtained on the ISS and on Earth. Even though the primary objective of the mission is to develop an autonomous spacecraft capable of conducting biological experiments in deep space, the 4U BioSensor science payload contained within the free-flyer is an adaptable instrument that can perform bio measurements with different microorganisms and in multiple space environments, including the ISS. Thus, nanosatellites like BioSentinel can be used to study the effects of both reduced gravity and space radiation and can house different organisms to answer specific science questions. In addition to their flexibility, nanosatellites also provide a low-cost alternative to more complex and larger missions, and require minimal crew support, if any

space biosensors↗

NASA NTRSDate not supplied

Lunar BioSensor: An Autonomous Instrument to Study the Effects of the Lunar Environment on Biological Organisms

One of the major challenges to long-duration space travel and habitation in deep space is an in-depth understanding of the biological effects of space radiation, often convoluted by the impact of reduced gravity. Nonetheless, due to the near impossibility of simulating prolonged exposure to these combined effects in terrestrial facilities, actual missions are needed to characterize the radiobiological hazards of this environment. NASA Ames has been the leader in developing autonomous bio nanosatellites to address strategic knowledge gaps about the effects of space travel on biological organisms, including GeneSat, PharmaSat, EcAMSat, and BioSentinel. BioSentinel will be the first interplanetary bio nanosatellite or CubeSat to study the biological response to space radiation outside Low Earth Orbit (LEO). BioSentinel is an autonomous platform able to support biology and to investigate the effects of space radiation on a model organism in interplanetary deep space. It will fly onboard NASA’s Artemis-1, from which it will be deployed on a lunar fly-by trajectory and into a heliocentric orbit. The BioSentinel nanosatellite, a 6U deep space CubeSat (1U = 10-cm cube), will measure the DNA damage and response to ambient space radiation in a model biological organism, the budding yeast S. cerevisiae, which will be compared to information provided by an onboard physical radiation sensor and to data obtained in LEO (on the ISS) and on Earth. Even though the primary objective of the mission is to develop an autonomous spacecraft capable of conducting biological experiments in deep space, the 4U BioSensor science payload contained within the 6U free-flyer is an adaptable instrument platform that can perform biological measurements with different microorganisms and in multiple space environments, including the ISS, lunar gateway, and on the surface of the Moon. The proposed 4U instrument will leverage the payload design of the 6U free-flyer, utilizing the lunar lander or vehicle for power and data relay. Thus, nanosatellites like BioSentinel (and Lunar BioSensor) can be used to study the effects of both reduced gravity and space radiation and can house different bio organisms to answer specific science questions. In addition to their flexibility, nanosatellites also provide a low-cost alternative to more complex and larger missions, and require minimal crew support, if any.

space biosensors↗

NASA NTRS2000

Ames Research Center FY 2000 Implementation Plan: Leading Technology into the New Millennium

This document presents the implementation plan for Ames Research Center (ARC) within the overall framework of the NASA Strategic Plan. It describes how ARC intends to implement its Center of Excellence responsibilities, Agency assigned missions, Agency and Enterprise lead programs, and other roles in support of NASA's vision and mission. All Federal agencies are required by the 1993 Government Performance and Results Act to implement a long-term strategic planning process that includes measurable outcomes and strict accountability. At NASA, this planning process is shaped by the Space Act of 1958, annual appropriations, and other external mandates, as well as by customer requirements. The resulting Strategic Plan sets the overall architecture for what we do, identifies who our customers are, and directs where we are going and why. The Strategic Plan is the basis upon which decisions regarding program implementation and resource deployment are made. Whereas the strategic planning process examines the long-term direction of the organization and identifies a specific set of goals, the implementation planning process examines the detailed performance of the organization and allocates resources toward meeting these goals. It is the purpose of this implementation document to provide the connection between the NASA Strategic Plan and the specific programs and support functions that ARC employees perform. This connection flows from the NASA Strategic Plan, through the various Strategic Enterprise plans to the ARC Center of Excellence, primary missions, Lead Center programs, program support responsibilities, and ultimately, to the role of the individual ARC employee.

Source record↗

DOE OSTI2026

Search for active and inactive ion insertion sites in organic crystalline materials

The position of mobile active and inactive ions, specifically ion insertion sites, within organic crystals, significantly affects the properties of organic materials used for energy storage and ionic transport. Identifying the positions of these atomic (and ionic) sites in an organic crystal is challenging, especially when the element has low X-ray scattering power, such as lithium (Li) and hydrogen, which are difficult to detect by powder X-ray diffraction. First-principles calculations, exemplified by density functional theory (DFT), are very practical for confirming the relative stability of ion positions in materials. However, the lack of effective strategies to identify ion sites in these organic crystalline frameworks renders this task extremely challenging. This work presents two algorithms: the (i) efficient location of ion insertion sites from extrema in electrostatic local potential and charge density (ELIISE), and the (ii) ElectRostatic InsertioN (ERIN), which leverage charge density and electrostatic potential fields accessed from first-principles calculations, combined with the Simultaneous Ion Insertion and Evaluation (SIIE) workflow. SIIE inserts all ions simultaneously—to determine ion positions in organic crystals. We demonstrate that these methods accurately reproduce known ion positions in 16 organic materials and identify previously overlooked low-energy sites in tetralithium 2,6-naphthalenedicarboxylate (Li4NDC), an organic electrode material, highlighting the importance of inserting all ions simultaneously, as in the SIIE workflow. These algorithms are also integrated with off-the-shelf machine learning potentials, yielding promising results comparable to first-principles findings.

Gopidi, Harshan Reddy [Argonne National Laboratory↗

NASA NTRS1994

Hydrophobic Porous Material Adsorbs Small Organic Molecules

Composite molecular-sieve material has pore structure designed specifically for preferential adsorption of organic molecules for sizes ranging from 3 to 6 angstrom. Design based on principle that contaminant molecules become strongly bound to surface of adsorbent when size of contaminant molecules is nearly same as that of pores in adsorbent. Material used to remove small organic contaminant molecules from vacuum systems or from enclosed gaseous environments like closed-loop life-support systems.

Sharma, Pramod K.↗

DOE OSTI2026

Opportunities and Limitations of Nuclear Magnetic Resonance Spectroscopy in Astrobiology

For decades, Nuclear Magnetic Resonance (NMR) spectroscopy has been utilized as a powerful tool in various scientific disciplines, most prominently in chemistry, to determine molecular structures or monitor reactions. While well established in various fields, NMR applications in astrobiology are still unclear. This work aims to explore the potential of NMR in astrobiology, highlighting strengths but also weaknesses. We illustrate capabilities of NMR with two applications: (1) recently developed methods for position-specific carbon isotope analysis of complex organics; and (2) well-established tools for performing quantitative compositional analysis of complex organic mixtures. By utilizing samples relevant to astrobiology, specifically the amino acid valine and analogue mixtures of organics, we showcase that molecules retain a source dependent and distinct intramolecular carbon isotope fingerprint. We demonstrate that compositional sample analysis provides an independent and complementary line of evidence pointing towards the origin of a molecule or mixture. Together, these NMR tools have the potential to support life detection efforts, and aid in distinguishing between biotic and abiotic samples. Finally, we discuss sensitivity, detection limits, the portability of NMR, and propose how integration with mass-spectrometry techniques will be imperative to enable more targeted and comprehensive analyses relevant to astrobiology, including in-situ analysis but also sample return missions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Rapid design of top-performing metal-organic frameworks with qualitative representations of building blocks

Abstract Data-driven materials design often encounters challenges where systems possess qualitative (categorical) information. Specifically, representing Metal-organic frameworks (MOFs) through different building blocks poses a challenge for designers to incorporate qualitative information into design optimization, and leads to a combinatorial challenge, with large number of MOFs that could be explored. In this work, we integrated Latent Variable Gaussian Process (LVGP) and Multi-Objective Batch-Bayesian Optimization (MOBBO) to identify top-performing MOFs adaptively, autonomously, and efficiently. We showcased that our method (i) requires no specific physical descriptors and only uses building blocks that construct the MOFs for global optimization through qualitative representations, (ii) is application and property independent, and (iii) provides an interpretable model of building blocks with physical justification. By searching only ~1% of the design space, LVGP-MOBBO identified all MOFs on the Pareto front and 97% of the 50 top-performing designs for the CO 2 working capacity and CO 2 /N 2 selectivity properties.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Squeezing the box: isoreticular contraction of pyrene-based linker in a Zr-based metal–organic framework for Xe/Kr separation

Isoreticular synthesis is a powerful tool to enhance specific attributes of a metal–organic framework (MOF). While the isoreticular expansion of MOF structure are prevalent in the literature, the compression of a topology holds great promise for separations due to the contracted pore apertures and/or cavities. Herein, we report the synthesis, characterization and Xe/Kr separation capability of a new Zr-based MOF, NU-1106, connected by the tetratopic linker 1,3,6,8-pyrene tetracarboxylate, which exhibits a compressed ftw topology compared to the extended ones reported previously. NU-1106 showed selective uptake of Xenon over Krypton, providing the potential for use for separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2004

Space-based Science Operations Grid Prototype

Grid technology is the up and coming technology that is enabling widely disparate services to be offered to users that is very economical, easy to use and not available on a wide basis. Under the Grid concept disparate organizations generally defined as "virtual organizations" can share services i.e. sharing discipline specific computer applications, required to accomplish the specific scientific and engineering organizational goals and objectives. Grids are emerging as the new technology of the future. Grid technology has been enabled by the evolution of increasingly high speed networking. Without the evolution of high speed networking Grid technology would not have emerged. NASA/Marshall Space Flight Center's (MSFC) Flight Projects Directorate, Ground Systems Department is developing a Space-based Science Operations Grid prototype to provide to scientists and engineers the tools necessary to operate space-based science payloads/experiments and for scientists to conduct public and educational outreach. In addition Grid technology can provide new services not currently available to users. These services include mission voice and video, application sharing, telemetry management and display, payload and experiment commanding, data mining, high order data processing, discipline specific application sharing and data storage, all from a single grid portal. The Prototype will provide most of these services in a first step demonstration of integrated Grid and space-based science operations technologies. It will initially be based on the International Space Station science operational services located at the Payload Operations Integration Center at MSFC, but can be applied to many NASA projects including free flying satellites and future projects. The Prototype will use the Internet2 Abilene Research and Education Network that is currently a 10 Gb backbone network to reach the University of Alabama at Huntsville and several other, as yet unidentified, Space Station based science experimenters. There is an international aspect to the Grid involving the America's Pathway (AMPath) network, the Chilean REUNA Research and Education Network and the University of Chile in Santiago that will further demonstrate how extensive these services can be used. From the user's perspective, the Prototype will provide a single interface and logon to these varied services without the complexity of knowing the where's and how's of each service. There is a separate and deliberate emphasis on security. Security will be addressed by specifically outlining the different approaches and tools used. Grid technology, unlike the Internet, is being designed with security in mind. In addition we will show the locations, configurations and network paths associated with each service and virtual organization. We will discuss the separate virtual organizations that we define for the varied user communities. These will include certain, as yet undetermined, space-based science functions and/or processes and will include specific virtual organizations required for public and educational outreach and science and engineering collaboration. We will also discuss the Grid Prototype performance and the potential for further Grid applications both space-based and ground based projects and processes. In this paper and presentation we will detail each service and how they are integrated using Grid

Bradford, Robert N.↗