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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Mechanistic insights into sulfate and phosphate-mediated hexavalent chromium removal by tea polyphenols wrapped nano-zero-valent iron

Nano zero-valent iron via green synthesis (g-nZVI) has great potential in removing toxic hexavalent Cr(VI) from industrial wastewater. Sulfate and phosphate in wastewater can influence Cr(VI) removal by g-nZVI. Here, in this study, the Cr(VI) removal kinetics by different g-nZVI materials were investigated with the existence of sulfate and/or phosphate, and the corresponding mechanisms were first revealed using multiple characterizations, including X-ray absorption near-edge spectra (XANES) and X-ray photoelectron spectroscopy (XPS). The results showed that Cr(OH) 3 was the dominant species initially formed on the surface of g-nZVI particles before transforming to Cr 2 O 3 during the reaction of g-nZVI with Cr(VI). Sulfate in wastewater can promote the reduction from Cr(VI) to Cr(OH) 3 by g-nZVI, because sulfate triggers the release of Fe(II) and tea polyphenols (from tea extracts) from the g-nZVI surface due to the corrosion of Fe 0 core, which is in line with an obvious increase in pseudo-second-order rate constant (k 2 ) and subtle change in Cr(VI) removal capacity (q e ). However, phosphate impedes the g-nZVI corrosion and inhibits q e because of the inner-sphere complexation of phosphate onto g-nZVI decreasing the released Fe(II) for Cr 2 O 3 production. When sulfate and phosphate coexisted in contaminated water, the inhibition effect of phosphate in Cr(VI) removal by g-nZVI was stronger than the promotion of sulfate. Accordingly, q e value of g-nZVI declined from 93.4 mg g –1 to 77.5 mg g –1 , while k 2 remained constant as the molar ratio of phosphate/sulfate increased from 0.1 to 10 in water. This study provides new insights into applying g-nZVI in efficient Cr(VI) removal from contaminated water with enrichment of sulphates and phosphates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Development of Analytical Protocols For Organics and Isotopes Analysis on the 2009 MARS Science Laboratory.

The Mars Science Laboratory, under development for launch in 2009, is designed explore and quantitatively asses a local region on Mars as a potential habitat for present or past life. Its ambitious goals are to (1) assess the past or present biological potential of the target environment, (2) to characterize the geology and geochemistry at the MSL landing site, and (3) to investigate planetary processes that influence habitability. The planned capabilities of the rover payload will enable a comprehensive search for organic molecules, a determination of definitive mineralogy of sampled rocks and fines, chemical and isotopic analysis of both atmospheric and solid samples, and precision isotope measurements of several volatile elements. A range of contact and remote surface and subsurface survey tools will establish context for these measurements and will facilitate sample identification and selection. The Sample Analysis at Mars (SAM) suite of MSL addresses several of the mission's core measurement goals. It includes a gas chromatograph, a mass spectrometer, and a tunable laser spectrometer. These instruments will be designed to analyze either atmospheric samples or gases extracted from solid phase samples such as rocks and fines. We will describe the range of measurement protocols under development and study by the SAM engineering and science teams for use on the surface of Mars.

Mahaffy, P. R.↗
NASA NTRS2020

Microscopic, Multipoint Characterization of Foreshock Bubbles With Magnetosphere Multiscale (MMS)

This work presents the first detailed analysis of foreshock bubbles (FBs) using high‐resolution Magnetospheric Multiscale (MMS) data. Between October 2017 and January 2019, MMS captured 10 foreshock transient events with burst resolution data that we show are consistent with FBs. One “textbook” event is examined and described in detail. Employing the multipoint nature of MMS, we demonstrate how the size and orientation, expansion speed, and distance since formation can be estimated. From all 10 events, FB sizes ranged from 1.1 to 9.9 RE (average of 4.4 RE), and expansion speeds ranged from 139 to 377 km/s (average of 257 km/s). FBs formed under a usual range of solar wind conditions between 3 and 20 RE upstream of Earth's bow shock. We also report on new features of FBs: deep and localized magnetic “holes” within the cores of FBs, where the total field strength drops to <1 nT.

D. L. Turner↗
DOE OSTI2021

Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme‐binding fold

The opportunistic pathogen Pseudomonas aeruginosa can utilize polyamines (including putrescine, cadaverine, 4‐aminobutyrate, spermidine, and spermine) as its sole source of carbon and nitrogen. Spermidine dehydrogenase (SpdH) is a component of one of the two polyamine utilization pathways identified in P . aeruginosa , but little is known about its structure and function. Here, we report the first crystal structure of SpdH from P . aeruginosa to 1.85 Å resolution. The resulting core structure confirms that SpdH belongs to the polyamine oxidase (PAO) family with flavin‐binding and substrate‐binding domains. A unique N‐terminal extension wraps around the flavin‐binding domain of SpdH and is required for heme binding, placing a heme cofactor in close proximity to the FAD cofactor. Structural and mutational analysis reveals that residues in the putative active site at the re side of the FAD isoalloxazine ring form part of the catalytic machinery. PaSpdH features an unusual active site and lacks the conserved lysine that forms part of a lysine–water–flavin N5 atom interaction in other PAO enzymes characterized to date. Mutational analysis further confirms that heme is required for catalytic activity. This work provides an important starting point for understanding the role of SpdH, which occurs universally in P . aeruginosa strains, in polyamine metabolism.

Che, Shiyou↗
DOE OSTI2022

H-2-SALT: Storing Fossil Energy as Hydrogen in Salt Caverns

Hydrogen storage in subsurface caverns is known as perhaps largest and longest-term energy storage system. While few such systems are currently in service (e.g., Texas; Teesside, UK), they are envisioned as being a pillar of the current energy transition that will allow intermittent power production from renewable sources (e.g., wind, solar) to be balanced with demand at grid-scale. In addition, hydrogen energy storage can allow existing fossil power plants to run more economically either by minimizing startups/shutdowns or by allowing them to take advantage of arbitrage. Finally, stored hydrogen can feed a variety of non-power users such as pipeline gas, heating, transportation, and manufacturing. The H-2-SALT paper study assessed the feasibility of a power-to-hydrogen system utilizing salt cavern storage of hydrogen in bedded salt in central Kansas, where over 750 such caverns have been constructed to date, of which approximately 350 are still in service. Legacy well and salt cavern data were collected to develop a regional geological database for two sites in Central Kansas and adjacent areas for use in more detailed geological and geomechanical site characterization efforts. This study found commercial viability and competitiveness of large-scale, electrolytic H 2 production and storage ($1.78 per kg H 2 ) that can be used for both electrical power supply to the grid during high-priced electricity periods (including co-firing with NG and fuel cell power production) and sale of H 2 for various industries, such as petrochemicals or transportation. The commercial potential of the H-2-SALT system is also relatively high because each of its components operate commercially today. It is recommended that a stratigraphic test well be drilled to collect log data and core samples that can reduce uncertainty surrounding geological and geomechanical properties of the salt beds that will be required for further cavern and energy storage system design studies.

03 NATURAL GAS↗
NASA NTRS1983

Eccentric ringlet in the Maxwell gap at 1.45 Saturn radii Multi-instrument Voyager observations

The results of Voyager experiments to characterize the eccentric ringlet at 1.45 Saturn radius are discussed. The Voyager I carried out microwave occultation trials with a dual-frequency transmitter, while Voyager 2 observed the occultation of delta Scorpii using an UV spectrometer and a photopolarimeter. The ringlet was associated with a basically empty region next to an edge of the C ring which decreased to a few hundred meters thickness. The width of the ringlet in the gap was estimated to vary from 38-88 km, and it maintains an elliptical shape. It precesses within the 265 km gap it occupies, and has a double-peaked core 15 km wide. The bulk of the ringlet is particles of less than 1 cm radius.

Esposito, L. W.↗
NASA NTRS2000

Space Resources Roundtable 2

Contents include following: Developing Technologies for Space Resource Utilization - Concept for a Planetary Engineering Research Institute. Results of a Conceptual Systems Analysis of Systems for 200 m Deep Sampling of the Martian Subsurface. The Role of Near-Earth Asteroids in Long-Term Platinum Supply. Core Drilling for Extra-Terrestrial Mining. Recommendations by the "LSP and Manufacturing" Group to the NSF-NASA Workshop on Autonomous Construction and Manufacturing for Space Electrical Power Systems. Plasma Processing of Lunar and Planetary Materials. Percussive Force Magnitude in Permafrost. Summary of the Issues Regarding the Martian Subsurface Explorer. A Costing Strategy for Manufacturing in Orbit Using Extraterrestrial Resources. Mine Planning for Asteroid Orebodies. Organic-based Dissolution of Silicates: A New Approach to Element Extraction from LunarRegohth. Historic Frontier Processes Active in Future Space-based Mineral Extraction. The Near-Earth Space Surveillance (NIESS) Mission: Discovery, Tracking, and Characterization of Asteroids, Comets, and Artificial Satellites with a microsatellite. Privatized Space Resource Property Ownership. The Fabrication of Silicon Solar Cells on the Moon Using In-Situ Resources. A New Strategy for Exploration Technology Development: The Human Exploration and Development of Space (HEDS) Exploratiori/Commercialization Technology Initiative. Space Resources for Space Tourism. Recovery of Volatiles from the Moon and Associated Issues. Preliminary Analysis of a Small Robot for Martian Regolith Excavation. The Registration of Space-based Property. Continuous Processing with Mars Gases. Drilling and Logging in Space; An Oil-Well Perspective. LORPEX for Power Surges: Drilling, Rock Crushing. An End-To-End Near-Earth Asteroid Resource Exploitation Plan. An Engineering and Cost Model for Human Space Settlement Architectures: Focus on Space Hotels and Moon/Mars Exploration. The Development and Realization of a Silicon-60-based Economy in CisLunar Space. Our Lunar Destiny: Creating a Lunar Economy. Cost-Effective Approaches to Lunar Passenger Transportation. Lunar Mineral Resources: Extraction and Application. Space Resources Development - The Link Between Human Exploration and the Long-term Commercialization of Space. Toward a More Comprehensive Evaluation of Space Information. Development of Metal Casting Molds by Sol-Gel Technology Using Planetary Resources. A New Concept in Planetary Exploration: ISRU with Power Bursts. Bold Space Ventures Require Fervent Public Support. Hot-pressed Iron from Lunar Soil. The Lunar Dust Problem: A Possible Remedy. Considerations on Use of Lunar Regolith in Lunar Constructions. Experimental Study on Water Production by Hydrogen Reduction of Lunar Soil Simulant in a Fixed Bed Reactor.

Ignatiev, A.↗
NASA NTRSDate not supplied

Modeling and Simulation Efforts to Support Improved Comfort in ARGOS

BACKGROUND: The Active Response Gravity Offload System (ARGOS) provides an analog environment for extravehicular activity (EVA) testing and training. Discomfort has been observed during longer suited test sessions. While the subject’s core is offloaded during surface EVA evaluations, his/her arms experience full Earth gravity and can become overly fatigued, especially during suited tests which involve reaching and prolonged arm extensions. A device (ARGOS Negation of Gravitational Effects on the Limbs: ANGEL) to offload the weight of the arms and suit sleeves is being developed by JSC’s Flight Systems Branch, and here we present preliminary modeling of that device using the open-source biomechanical tool OpenSim [1,2] with an in-house developed plugin. We analyze a series of motions performed by a single shirt-sleeved subject with goals of characterizing the device, validating the model, and predicting whether reduced gravity conditions (i.e., lunar gravity (Lg) or Martian gravity (Mg)) can be accurately simulated with the device, as well as providing comfort to the ARGOS user. METHODS AND RESULTS: To model the offload device, we augment the OpenSim human model topology with the offload mechanism components and joints, using CAD models to represent the mechanism graphically. The joint angles of the device are either obtained from (1) inverse kinematics (IK) using motion capture markers on the various components of the device or (2) calculated in the OpenSim plugin by modeling how the components configure themselves under the offloading spring tension given a particular IK-derived arm position. Given the joint angles of the device, the resulting force on the arm is computed by the plugin and applied as an external load in inverse dynamics (ID) in order to enable study of overall shoulder joint torques as well as offload achieved. We verify the calculated joint angles by using the inverse kinematic data and the forces from manual measurements of the spring both independently and integrated within the device. We found that calculated joint angles generally represent the angles measured and computed with IK, supporting a possible analysis workflow inputting human motion data and observing system behavior under varied design parameters. In two different device configurations in which the maximum applied force was 131 N, our current model accurately captured force with a difference of 2-3 N from measured loads. Though our initial test was performed with a shirt-sleeve subject, arm weights were added to emulate the weight of the suit sleeve and the subject was positioned in a test stand with a Mark-III Hard Upper Torso (HUT) and Portable Life Support System (PLSS) mockup. Arm range of motion tasks were performed outside of the HUT, inside the HUT, and inside the HUT while using the device. A variety of other upper body tasks were completed as well. In summary, we have developed a model to investigate and verify an upper limb offload device currently in development. We believe this model will be a valuable tool not only for device characterization but also to predict proper configurations to simulate Lg or Mg conditions, investigate range of motion concerns, predict limitations such as internal collisions and contacts, and inform future design improvements.

L B Nilsson↗
NASA NTRS2023

The Planetary Protection Strategy of Mars Sample Return’s Earth Return Orbiter Mission

The Mars Sample Return campaign aims to use three flight missions and one ground element to safely bring rock cores, regolith and atmospheric samples from the surface of Mars to Earth to answer key questions about the geologic and climate history of Mars, including the potential for ancient life. Since its landing in Jezero Crater in 2021, the first mission, NASA’s Mars 2020, has collected a number of samples on the crater floor and on the delta using the Perseverance rover. Subsequent missions would recover the sealed sample tubes, launch them into Mars orbit, and transport them back to Earth. The ground element would be a high-containment facility that would isolate and protect the samples during initial sample characterization, which would include sample safety assessments and time-sensitive scientific investigations. These elements are currently in the planning and design stages of development, and represent an international effort of NASA, the European Space Agency (ESA), and many industry partners. The work presented here provides an overview of the planetary protection strategy of the third flight mission, the ESA-led Earth Return Orbiter (ERO), which hosts the NASA-provided Capture, Containment, and Return System (CCRS). ERO-CCRS would capture the container with up to 30 sealed tubes previously put in Martian orbit, contain them in redundant containers to ensure that no potentially hazardous Mars particles are released, and return them to Earth through an entry vehicle. Both NASA and ESA policies comply with the United Nations’ Outer Space Treaty by planning to protect Earth’s biosphere from any potential adverse effects from material returned from solar system bodies beyond the Earth-Moon system. In the conduct of Mars Sample Return, the two agencies have agreed to apply approaches consistent with their own planetary protection standards to the campaign elements each provides.

Mars Sample Return↗
NASA NTRSDate not supplied

The Planetary Protection Strategy of Mars Sample Return Earth Return Orbiter Mission

The Mars Sample Return campaign aims to use three flight missions and one ground element to safely bring rock cores, regolith and atmospheric samples from the surface of Mars to Earth to answer key questions about the geologic and climate history of Mars, including the potential for ancient life. Since its landing in Jezero Crater in 2021, the first mission, NASA’s Mars 2020, has collected a number of samples on the crater floor and on the delta using the Perseverance rover. Subsequent missions would recover the sealed sample tubes, launch them into Mars orbit, and transport them back to Earth. The ground element would be a high-containment facility that would isolate and protect the samples during initial sample characterization, which would include sample safety assessments and time-sensitive scientific investigations. These elements are currently in the planning and design stages of development, and represent an international effort of NASA, the European Space Agency (ESA), and many industry partners. The work presented here provides an overview of the Planetary Protection strategy of the third flight mission, the ESA-led Earth Return Orbiter (ERO), which hosts the NASA-provided Capture, Containment, and Return System (CCRS). ERO-CCRS would detect and capture the container with up to 30 sealed tubes previously put in Martian orbit, contain them in redundant containers to ensure that no potentially hazardous Mars particles are released, and return them to Earth through an entry vehicle. Both NASA and ESA policies comply with the United Nations’ Outer Space Treaty by planning to protect Earth’s biosphere from any potential adverse effects from material returned from solar system bodies beyond the Earth-Moon system. In the conduct of Mars Sample Return, the two agencies have mutually agreed to apply approaches consistent with their own planetary protection standards to the campaign elements they each provides.

mars sample return↗
NASA NTRS2024

The Planetary Protection Strategy of Mars Sample Return’s Earth Return Orbiter Mission

The Mars Sample Return campaign aims to use three flight missions and one ground element to safely bring rock cores, regolith and atmospheric samples from the surface of Mars to Earth to answer key questions about the geologic and climate history of Mars, including the potential for ancient life. Since its landing in Jezero Crater in 2021, the first mission, NASA’s Mars 2020, has collected a number of samples on the crater floor and on the delta using the Perseverance rover. Subsequent missions would recover the sealed sample tubes, launch them into Mars orbit, and transport them back to Earth. The ground element would be a high-containment facility that would isolate and protect the samples during initial sample characterization, which would include sample safety assessments and time-sensitive scientific investigations. These elements are currently in the planning and design stages of development, and represent an international effort of NASA, the European Space Agency (ESA), and many industry partners. The work presented here provides an overview of the planetary protection strategy of the third flight mission, the ESA-led Earth Return Orbiter, which hosts the NASA-provided Capture, Containment, and Return System. The orbiter would detect and capture the container with up to 30 sealed tubes previously put in Martian orbit, contain them in redundant containers to ensure that no potentially hazardous Mars particles are released, and return them to Earth through an entry vehicle. Both NASA and ESA policies comply with the United Nations’ Outer Space Treaty by planning to protect Earth’s biosphere from any potential adverse effects from material returned from solar system bodies beyond the Earth-Moon system. In the conduct of Mars Sample Return, the two agencies have mutually agreed to apply approaches consistent with their own planetary protection standards to the campaign elements they each provide.

Mars Sample Return↗
DOE OSTI2022

Material Characterization of Grade 91 Steel Welds using, Micro-resolution Ultrasonic Imaging System

Grade 91 (9Cr-1Mo-V) steel is a common structural material for fossil-fuel fired and nuclear power plants because of its creep strength and oxidation resistance at high temperatures. In this research, we studied the feasibility of correlating the high-resolution images obtained from the immersion ultrasonic imaging technique to microstructure regions in Grade 91 steel plate weldments. The high-resolution ultrasonic images presented in this paper were generated using a 20-MHz focused transducer as the transmitter, and a laser vibrometer as the receiver in the through transmission configuration to produce longitudinal and shear waves. This nondestructive evaluation (NDE) method was used to identify the Fusion Zone (FZ), Heat-Affected Zone (HAZ), and Base Metal (BM) regions of Grade 91 cold metal transfer (CMT) and flux core arc welds (FCAW). The ultrasonic imaging results were analyzed using beam propagation amplitudes and homogeneity, which in turn were used to relate the different microstructure regions of the FCAW and CMT welded samples. With this study, we were able to identify highly susceptible microstructures in the weld that could potentially promote creep type failures.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

WHONDRS 2016 Sediment Organic Matter Characterization Data from Streams across HJ Andrews Experimental Forest, Oregon

This dataset supports a broader synoptic effort to map morphological, hydrological, chemical, and biological conditions across a fifth-order mountain stream network. Samples were generated through a collaborative synoptic sampling effort in 2016. The dataset provides sediment Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS) from 60 sites across the HJ Andrews Experimental Forest, Oregon (https://andrewsforest.oregonstate.edu). Related data were collected as part of the event and were published separately in collaboration with other team members. The data are available at http://www.hydroshare.org/resource/ea6c0832885a46c3939e7bb22e48e754 and are described within https://doi.org/10.5194/essd-11-1567-2019 (Ward et al., 2019). The hydroshare data package contains processed FTICR-MS data from the samples included in this data package. The data were processed via Formultitude (previously called Formularity; https://github.com/PNNL-Comp-Mass-Spec/Formultitude). However, we have re-processed the data using Core-MS and included it in this data package. Additional related data collected in 2025 from a similar effort can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3023310 and http://www.hydroshare.org/resource/b274c4a234bf4b12b7cb8a54a696c629. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of sample data; (2) data dictionary; (3) file-level metadata; (4); (5) coordinates; and (6) readme. The sample data subfolder contains 12 Tesla (12T) FTICR-MS data. This folder contains the processed data and three subfolders, one containing the .xml files, one containing the CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .xml, .Rmd, .py, .cal, or .json.

Biogeochemistry↗
NASA NTRS2014

Sensitivity of Tropical Cyclones to Parameterized Convection in the NASA GEOS5 Model

The sensitivity of tropical cyclones (TCs) to changes in parameterized convection is investigated to improve the simulation of TCs in the North Atlantic. Specifically, the impact of reducing the influence of the Relaxed Arakawa-Schubert (RAS) scheme-based parameterized convection is explored using the Goddard Earth Observing System version5 (GEOS5) model at 0.25 horizontal resolution. The years 2005 and 2006 characterized by very active and inactive hurricane seasons, respectively, are selected for simulation. A reduction in parameterized deep convection results in an increase in TC activity (e.g., TC number and longer life cycle) to more realistic levels compared to the baseline control configuration. The vertical and horizontal structure of the strongest simulated hurricane shows the maximum lower-level (850-950hPa) wind speed greater than 60 ms and the minimum sea level pressure reaching 940mb, corresponding to a category 4 hurricane - a category never achieved by the control configuration. The radius of the maximum wind of 50km, the location of the warm core exceeding 10 C, and the horizontal compactness of the hurricane center are all quite realistic without any negatively affecting the atmospheric mean state. This study reveals that an increase in the threshold of minimum entrainment suppresses parameterized deep convection by entraining more dry air into the typical plume. This leads to cooling and drying at the mid- to upper-troposphere, along with the positive latent heat flux and moistening in the lower-troposphere. The resulting increase in conditional instability provides an environment that is more conducive to TC vortex development and upward moisture flux convergence by dynamically resolved moist convection, thereby increasing TC activity.

GEOS5↗
NASA NTRSDate not supplied

Acoustic Characterization of the NASA Langley 14- by 22-Foot Subsonic Tunnel using a Phased Array

A characterization test was conducted in the NASA Langley Research Center 14- by 22-Foot Subsonic Tunnel to assess recent acoustic modifications in the facility. Test section reflectivity, background noise and shear layer effects were evaluated by taking measurements of known noise sources. Both conventional speakers and a high-pressure air source were employed as noise generation mechanisms. These were mounted to a pole or fairing at a consistent location in the test section. The source waveforms were used to represent the expected frequency content of scaled Urban Air Mobility vehicles. Acoustic measurements were taken using two unique microphone arrays placed outside the core flow, one of which was a 54-element streamwise-traversing phased array. The other was an 11-element linear tower array. The applicability of phased array acoustic beamforming techniques to mitigate shear layer effects and reject background noise is presented. Additionally, beamforming results are compared to results from single-microphone processing techniques. Flow speeds investigated ranged from Mach 0.00 (static) to Mach 0.12. The tunnel has been partially acoustically treated but still exhibits flow noise, reducing the signal-to-noise ratio of the source under investigation. Conventional beamforming was able to capture high frequency content passing through the shear layer better than single microphone measurements. CLEAN deconvolution improves source mapping at low frequencies.

phased array↗
DOE OSTI2023

Upper critical solution temperature polymer assemblies via variable temperature liquid phase transmission electron microscopy and liquid resonant soft X-ray scattering

Abstract Here, we study the upper critical solution temperature triggered phase transition of thermally responsive poly(ethylene glycol)- block -poly(ethylene glycol) methyl ether acrylate- co -poly(ethylene glycol) phenyl ether acrylate- block -polystyrene nanoassemblies in isopropanol. To gain mechanistic insight into the organic solution-phase dynamics of the upper critical solution temperature polymer, we leverage variable temperature liquid-cell transmission electron microscopy correlated with variable temperature liquid resonant soft X-ray scattering. Heating above the upper critical solution temperature triggers a reduction in particle size and a morphological transition from a spherical core shell particle with a complex, multiphase core to a micelle with a uniform core and Gaussian polymer chains attached to the surface. These correlated solution phase methods, coupled with mass spectral validation and modeling, provide unique insight into these thermoresponsive materials. Moreover, we detail a generalizable workflow for studying complex, solution-phase nanomaterials via correlative methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis

The anthraquinone-fused enediynes (AFEs) combine an anthraquinone moiety and a ten-membered enediyne core capable of generating a cytotoxic diradical species. AFE cyclization is triggered by opening the F-ring epoxide, which is also the site of the most structural diversity. Previous studies of tiancimycin A, a heavily modified AFE, have revealed a cryptic aldehyde blocking installation of the epoxide, and no unassigned oxidases could be predicted within the tnm biosynthetic gene cluster. Here, in this study, we identify two consecutively acting cofactorless oxygenases derived from methyltransferase and α/β-hydrolase protein folds, TnmJ and TnmK2, respectively, that are responsible for F-ring tailoring in tiancimycin biosynthesis by comparative genomics. Further biochemical and structural characterizations reveal that the electron-rich AFE anthraquinone moiety assists in catalyzing deformylation, epoxidation and oxidative ring cleavage without exogenous cofactors. These enzymes therefore fill important knowledge gaps for the biosynthesis of this class of molecules and the underappreciated family of cofactorless oxygenases. Cofactorless oxygenases are rare in nature and natural product biosynthesis. Here the authors describe the biochemical and structural characterization of two such oxygenases catalyzing deformylation, ring cleavage and epoxidation in the biosynthesis of the enediyne natural product tiancimycin A.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

FY2020 Energy Efficient Mobility Systems Annual Progress Report

EEMS Program activities during FY 2020 focused on analytical research and large-scale modeling and simulation to understand the impacts that new mobility technologies and services will have at the vehicle-, traveler-, and overall transportation system-level. This research included the development of a multi-fidelity, end-to-end transportation system models and tools to evaluate the complex interactions among the various actors within the mobility landscape, analysis of empirical data to characterize which solutions may provide the largest benefits, and development of new control systems and algorithms that use vehicle connectivity and automation to improve the performance and efficiency of individual vehicles as well as the overall traffic system. This document presents a brief overview of the EEMS Program and documents progress and results from projects within each of the EEMS activity areas. The Computational Modeling and Simulation key activity area summarizes work within the sub-areas of (1) the SMART (Systems and Modeling for Accelerated Research in Transportation) Mobility Lab Consortium, (2) Artificial Intelligence, High-Performance Computing, and Data Analytics, and (3) Core Simulation and Evaluation Tools. Additionally, the program’s advanced R&D projects are summarized within (4) the Connectivity and Automation Technology key activity area. Each of the individual progress reports provide a project overview and highlights of the technical results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗