Umbrella sampling: a powerful method to sample tails of distributions
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Charles Matthews↗
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Hydrothermal Decomposition of Amino Acids and Origins of Prebiotic Meteoritic Organic Compounds
The organic compounds found in carbonaceous chondrite meteorites provide insight into primordial solar system chemistry. Evaluating the formation and decomposition mechanisms of meteoritic amino acids may aid our understanding of the origins of life and homochirality on Earth. The amino acid glycine is widespread in meteorites and other extraterrestrial environments; other amino acids, such as isovaline, are found with enantiomeric excesses in some meteorites. The relationship between meteoritic amino acids and other compounds with similar molecular structures, such as aliphatic monoamines and monocarboxylic acids is unclear; experimental results evaluating the decomposition of amino acids have produced inconclusive results about the preferred pathways, reaction intermediates, and if the conditions applied may be compatible with those occurring inside meteoritic parent bodies. In this work, we performed extensive tandem metadynamics, umbrella sampling, and committor analysis to simulate the neutral mild hydrothermal decomposition mechanisms of glycine and isovaline and put them into context for the origins of meteoritic organic compounds. Our ab initio simulations aimed to determine free energy profiles and decomposition pathways for glycine and isovaline. We found that under our modeled conditions, methylammonium, glycolic acid, and sec-butylamine are the most likely decomposition products. These results suggest that meteoritic aliphatic monocarboxylic acids are not produced from decomposition of meteoritic amino acids. Our results also indicate that the decomposition of L-isovaline prefers an enantioselective pathway resulting in the production of (S)-sec-butylamine.
Enhanced sampling↗
Physical Validation of GPM Retrieval Algorithms Over Land: An Overview of the Mid-Latitude Continental Convective Clouds Experiment (MC3E)
The joint NASA Global Precipitation Measurement (GPM) -- DOE Atmospheric Radiation Measurement (ARM) Midlatitude Continental Convective Clouds Experiment (MC3E) was conducted from April 22-June 6, 2011, centered on the DOE-ARM Southern Great Plains Central Facility site in northern Oklahoma. GPM field campaign objectives focused on the collection of airborne and ground-based measurements of warm-season continental precipitation processes to support refinement of GPM retrieval algorithm physics over land, and to improve the fidelity of coupled cloud resolving and land-surface satellite simulator models. DOE ARM objectives were synergistically focused on relating observations of cloud microphysics and the surrounding environment to feedbacks on convective system dynamics, an effort driven by the need to better represent those interactions in numerical modeling frameworks. More specific topics addressed by MC3E include ice processes and ice characteristics as coupled to precipitation at the surface and radiometer signals measured in space, the correlation properties of rainfall and drop size distributions and impacts on dual-frequency radar retrieval algorithms, the transition of cloud water to rain water (e.g., autoconversion processes) and the vertical distribution of cloud water in precipitating clouds, and vertical draft structure statistics in cumulus convection. The MC3E observational strategy relied on NASA ER-2 high-altitude airborne multi-frequency radar (HIWRAP Ka-Ku band) and radiometer (AMPR, CoSMIR; 10-183 GHz) sampling (a GPM "proxy") over an atmospheric column being simultaneously profiled in situ by the University of North Dakota Citation microphysics aircraft, an array of ground-based multi-frequency scanning polarimetric radars (DOE Ka-W, X and C-band; NASA D3R Ka-Ku and NPOL S-bands) and wind-profilers (S/UHF bands), supported by a dense network of over 20 disdrometers and rain gauges, all nested in the coverage of a six-station mesoscale rawinsonde network. As an exploratory effort to examine land-surface emissivity impacts on retrieval algorithms, and to demonstrate airborne soil moisture retrieval capabilities, the University of Tennessee Space Institute Piper aircraft carrying the MAPIR L-band radiometer was also flown during the latter half of the experiment in coordination with the ER-2. The observational strategy provided a means to sample the atmospheric column in a redundant framework that enables inter-calibration and constraint of measured and retrieved precipitation characteristics such as particle size distributions, or water contents- all within the umbrella of "proxy" satellite measurements (i.e., the ER-2). Complimenting the precipitation sampling framework, frequent and coincident launches of atmospheric soundings (e.g., 4-8/day) then provided a much larger mesoscale view of the thermodynamic and winds environment, a data set useful for initializing cloud models. The datasets collected represent a variety cloud and precipitation types including isolated cumulus clouds, severe thunderstorms, mesoscale convective systems, and widespread regions of light to moderate stratiform precipitation. We will present the MC3E experiment design, an overview of operations, and a summary of preliminary results.
Petersen, Walter A.↗
Artemis Curation: Preparing for Sample Return from the Lunar South Pole
Space Policy Directive-1 mandates that “the United States will lead the return of humans to the Moon for long-term exploration and utilization, followed by human missions to Mars and other destinations.” In addition, the Vice President stated that “It is the stated policy of this administration and the United States of America to return American astronauts to the Moon within the next five years,” that is, by 2024. These efforts, under the umbrella of the recently formed Artemis Program, include such historic goals as the flight of the first woman to the Moon and the exploration of the lunar south-polar region. Among the top priorities of the Artemis Program is the return of a suite of geologic samples, providing new and significant opportunities for progressing lunar science and human exploration. In particular, successful sample return is necessary for understanding the history of volatiles in the Solar System and the evolution of the Earth-Moon system, fully constraining the hazards of the lunar polar environment for astronauts, and providing the necessary data for constraining the abundance and distribution of resources for in-situ resource utilization (ISRU). Here we summarize the ef-forts of the Astromaterials Acquisition and Curation Office (hereafter referred to as the Curation Office) to ensure the success of Artemis sample return (per NASA Policy Directive (NPD) 7100.10E).
Mitchell, J. L.↗
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 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 Centennial Challenge: 3D Printed Habitat, Phase 3 Final Results
NASA's Centennial Challenges program uses prize competitions with the goal of accelerating innovation in the aerospace industry. Competitions in the Centennial Challenges portfolio have previously focused on advancements in space robotics, regolith excavation, bio-printing, astronaut suit design, small satellites, and solar-powered vehicles. NASA's Three Dimensional (3D) Printed Habitat Centennial Challenge represents a partnership between NASA and the non-profit partner: Bradley University, with co-sponsors Caterpillar, Bechtel, Brick and Mortar Ventures, the American Concrete Institute, and the United States Army Corps of Engineers (USACE) Engineer Research and Development Center (ERDC) to spur development in automated additive construction technologies. The challenge asks teams to design and construct a scaled and simulated Martian habitat using indigenous materials and large scale 3D automated printing systems. Phase 1 of the competition, held in 2015, was an architectural design competition for habitat concepts that could be 3D printed. Phase 2, completed in 2017, asked teams to develop feedstocks from indigenous materials and hydrocarbon polymer recyclables, and demonstrate automated printing systems to manufacture these feedstocks into test specimens to assess mechanical strength. This paper will discuss the Phase 3 competition, focusing on technology outcomes that can potentially be infused into both terrestrial and planetary construction applications. The Phase 3 competition was divided into two sub-competitions: 1) virtual construction, where teams created a high fidelity building information model (BIM) of their 3D-printed habitat design and 2) the construction competition, which required teams to 3D print a structural foundation and subject materials samples to freeze/thaw testing and impact testing (level 1), produce a habitat element and complete a hydrostatic test (level 2), and additively manufacture a 1:3 scale habitat onsite in a head to head competition at Caterpillar, inc.'s Edwards Demonstration & Learning Center near Peoria, Illinois over the course of three days (level 3). While the Phase 2 competition focused primarily on the development of novel feedstocks and robotic printing systems, Phase 3 emphasized the scale-up of these systems and autonomous operation (demonstrating the capability to operate systems on precursor missions prior to the arrival of crew, or terrestrially in field operation settings where human tending of a manufacturing system may be limited). The Phase 3 virtual construction levels yielded a number of novel habitat designs, including both modular habitats and vertically-oriented habitat concepts. The Phase 3 construction competition also challenged teams to autonomously place penetrations and interfacing elements in additively manufactured structures. The paper will emphasize potential applications for the new materials and technologies developed under the umbrella of the competition within NASA's portfolio and in Earth-based applications such as disaster response and infrastructure improvement.
Construction↗
Nasa Centennial Challenge: Three Dimensional (3d) Printed Habitat, Phase 3
NASA's Centennial Challenges program uses prize competitions with the goal of accelerating innovation in the aerospace industry. Competitions in the Centennial Challenges portfolio have previously focused on advancements in space robotics, regolith excavation, bio-printing, astronaut suit design, small satellites, and solar-powered vehicles. NASA's Three Dimensional (3D) Printed Habitat Centennial Challenge represents a partnership between NASA and the non-profit partner: Bradley University, with co-sponsors Caterpillar, Bechtel, Brick and Mortar Ventures, the American Concrete Institute, and the United States Army Corps of Engineers (USACE) Engineer Research and Development Center (ERDC) to spur development in automated additive construction technologies. The challenge asks teams to design and construct a scaled and simulated Martian habitat using indigenous materials and large scale 3D automated printing systems. Phase 1 of the competition, held in 2015, was an architectural design competition for habitat concepts that could be 3D printed. Phase 2, completed in 2017, asked teams to develop feedstocks from indigenous materials and hydrocarbon polymer recyclables, and demonstrate automated printing systems to manufacture these feedstocks into test specimens to assess mechanical strength. This paper will discuss the Phase 3 competition, focusing on technology outcomes that can potentially be infused into both terrestrial and planetary construction applications. The Phase 3 competition was divided into two sub-competitions: 1) virtual construction, where teams created a high fidelity building information model (BIM) of their 3D-printed habitat design and 2) the construction competition, which required teams to 3D print a structural foundation and subject materials samples to freeze/thaw testing and impact testing (level 1), produce a habitat element and complete a hydrostatic test (level 2), and additively manufacture a 1:3 scale habitat onsite in a head to head competition at Caterpillar, inc.'s Edwards Demonstration & Learning Center near Peoria, Illinois over the course of three days (level 3). While the Phase 2 competition focused primarily on the development of novel feedstocks and robotic printing systems, Phase 3 emphasized the scale-up of these systems and autonomous operation (demonstrating the capability to operate systems on precursor missions prior to the arrival of crew, or terrestrially in field operation settings where human tending of a manufacturing system may be limited). The Phase 3 virtual construction levels yielded a number of novel habitat designs, including both modular habitats and vertically-oriented habitat concepts. The Phase 3 construction competition also challenged teams to autonomously place penetrations and interfacing elements in additively manufactured structures. The paper will emphasize potential applications for the new materials and technologies developed under the umbrella of the competition within NASA's portfolio and in Earth-based applications such as disaster response and infrastructure improvement.
Centennial challenge↗
The Bombardment History of 4 Vesta as Told by Sample Geochronology
The Dawn mission showed asteroid 4 Vesta to be an extensively cratered body, ancient in age, with craters in a variety of morphologies and preservation states [1-3]. Tying Vesta's relative crater ages to an absolute impact history can be accomplished through investigations of the HED (howardite, eucrite, diogenite) meteorites. Eucrites are crustal basalts and gabbros, diogenites are mostly orthopyroxenites representing lower crust or upper mantle materials, and howardites are mixed breccias containing both lithologies. Eucrite 53Mn-53Cr systematics show that the HED parent body globally differentiated by ~4.56 Ga and fully crystallized soon afterwards [4]. Much later, many eucrites were brecciated and heated by large impacts into the parent body surface. Disturbance ages in eucrites show that multiple large impacts occurred within 1 Gyr after crystallization, showing a history that largely resembles that of the Moon [5-7]. Dawn images also showed that Vesta is covered with a well-developed regolith that is spectrally similar to howardite meteorites [8]. Howardites are polymict regolith breccias made up mostly of clasts of eucrites and diogenites, but which also contain clasts formed by melting of the regolith by relatively large, energetic impact events. Impact-melt clast ages from howardites extend our knowledge of the impact history of Vesta, expanding on eucrite disturbance ages and helping give absolute age context to the observed crater-counts produced using Dawn data. The distribution of 40Ar-39Ar ages of impact-melt clasts in howardites shows that they formed within the time period 3.3-3.8 Ga [9]. These, and other impact-melted HED materials, have distinct age and compositional characteristics that suggest they formed in discrete impact events. In order to create these crystalline impact-melt products on the surface of Vesta, the impacts during this time period must have had velocities much higher than 5 km/s, the main belt average [10]. This is inconsistent with formation by a normal distribution of impact velocities and points instead to a unique period where high-velocity collisions were more frequent than currently observed. Until now, impact-reset ages in the HED meteorites have been be interpreted under the umbrella of the canonical lunar cataclysm where an increase in the absolute number of bombarding objects is responsible for creating larger absolute amounts of impact-affected and impact-melted rocks, statistically increasing their chances of being found on Earth and dated. However, the distribution of age among the howardite impact-melt clasts may not necessarily result from an increased number of impacts, but rather result from impacts of higher velocity. The changeover from a typical main belt velocity profile to this regime of increased velocity population at Vesta occurs contemporaneously with a similar transition at the Moon, indicating that howardite impact-melt clast ages reinforce the notion of a dynamically unusual episode of bombardment in the inner solar system beginning at around 4.0 Ga.
Cohen, B. A.↗