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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Concentration-response gene expression analysis in zebrafish reveals phenotypically-anchored transcriptional responses to retene

Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental contaminants and are associated with human disease. Canonically, many PAHs induce toxicity via activation of the aryl hydrocarbon receptor (AHR) pathway. While the interaction between PAHs and the AHR is well-established, understanding which AHR-regulated transcriptional effects directly result in observable phenotypes and which are adaptive or benign is important to better understand PAH toxicity. Retene is a frequently detected PAH in environmental sampling and has been associated with AHR2-dependent developmental toxicity in zebrafish, though its mechanism of toxicity has not been fully elucidated. To interrogate transcriptional changes causally associated with retene toxicity, we conducted whole-animal RNA sequencing at 48 hours post-fertilization after exposure to eight retene concentrations. The concentrations were selected to produce effects ranging from no phenotype to mortality and malformations in 100% of animals at 5 days post-fertilization. We identified a concentration-response relationship between retene teratogenicity and differential gene expression in both number of DEGs and magnitude of expression change. Elevated expression of cyp1a at retene concentrations below the threshold for teratogenicity suggested that while cyp1a expression is a sensitive biomarker of AHR activation, it may be too sensitive to serve as a biomarker of AHR-dependent teratogenicity. Genes differentially expressed at only non-teratogenic concentrations were enriched for transforming growth factor-ß (TGF-ß) signaling pathway disruption while DEGs identified at only teratogenic concentrations were significantly enriched for response to xenobiotic stimulus and reduction-oxidation reaction activity. DEGs which spanned both non-teratogenic and teratogenic concentrations showed similar disrupted biological processes to those unique to teratogenic concentrations, indicating these processes were disrupted at low exposure concentrations. Gene co-expression network analysis identified several gene modules, including those associated with PAHs and AHR2 activation. One, Module 7, was strongly enriched for AHR2-associated genes and contained the strongest responses to retene. Benchmark concentration (BMC) of Module 7 genes identified a median BMC of 7.5 µM, nearly the highest retene concentration with no associated teratogenicity, supporting the hypothesis that Module 7 genes are largely responsible for retene toxicity.

Toxin, Zebrafish, Retene, Transcriptomics, network↗
DOE OSTI2025

Activation, Dehydrogenation, and Carbon–Carbon Coupling of Methane by Iridium Cations Studied by Infrared Multiple Photon Dissociation Spectroscopy and Density Functional Theory

Products resulting from the sequential activation of one, two, three, and four methane molecules by atomic iridium cations were characterized by gas-phase infrared multiple photon dissociation spectroscopy and density functional theory (DFT) calculations. Iridium cations were generated using a laser ablation source and reacted with methane in a linear radiofrequency ion trap before mass analysis and spectroscopic interrogation in a Fourier transform ion cyclotron resonance mass spectrometer coupled to the free-electron laser for intracavity experiments (FELICE) beamline. Product ions were irradiated using infrared light over the 250–1500 cm –1 range. Comparisons between the experimental and DFT-calculated spectra enabled structural determination of the products formed. The observed products include HIrCH + , Ir(CH 2 ) 2 + , H s Ir(C 3 H 5 ) + , and Ir(CH 3 ) s (C 3 H 5 ) + , where the subscript s denotes a syn orientation of the two ligands. Furthermore, formation of the latter two products provides evidence for efficient C–H bond activation and subsequent C–C coupling on the atomic iridium cation.

Chemical reactions↗
DOE OSTI2022

Fiber Optic Distributed Acoustic Sensing in DFPS East Well

Fiber optic files in *.hdf format, acquired in the Devine Fracture Pilot Site East well, using Fotech interrogator. There was no change in channel spacing or acquisition settings during the project. Channel spacing is 0.68 m.

Electrically active proppant,Electromagnetic,Fiber↗
DOE OSTI2025

Computational insights into hydrogen adsorption energies on medium-entropy oxides

High entropy oxides (HEOs) have emerged as promising catalysts for several important chemical transformations including alkane activation. Hydrogen adsorption energy (HAE) has been used as a key descriptor for many reactions including methane C–H activation and hydrogen evolution reactions. Hence, understanding the relationship between HAEs and the surface chemistry of HEO surfaces could lay the foundation for meaningful correlations among methane C–H activation, HAE, and the complex, local environment of HEO surfaces. Here, we used a medium-entropy oxide as a prototypical system – Mg 0.25 Ni 0.25 Cu 0.25 Zn 0.25 O with a rock-salt structure – to interrogate these relationships. We sampled 2000 different surfaces of its (100) plane and calculated the HAEs at randomly chosen surface O sites using density functional theory (DFT). Our analysis of the 2000 data points reveals that the HAEs at the surface O sites are significantly influenced by the local environment around the adsorption sites, particularly the nature of the metal atom directly below the surface O site where H adsorbs. After comparing several popular graph-neural-network-based machine learning models, we found that the DimeNet++ model performed best achieving satisfactory accuracy in predicting HAEs for both Mg 0.25 Ni 0.25 Cu 0.25 Zn 0.25 O and slightly varied compositions. Our work underscores the promise of such models and the need for further refinement to address the complexity of HEOs.

Song, Haohong [Vanderbilt Univ., Nashville, TN (Un↗
NASA NTRS1991

Technical Requirements Analysis and Control Systems (TRACS) Initial Operating Capability (IOC) documentation

The Technical Requirements Analysis and Control Systems (TRACS) software package is described. TRACS offers supplemental tools for the analysis, control, and interchange of project requirements. This package provides the fundamental capability to analyze and control requirements, serves a focal point for project requirements, and integrates a system that supports efficient and consistent operations. TRACS uses relational data base technology (ORACLE) in a stand alone or in a distributed environment that can be used to coordinate the activities required to support a project through its entire life cycle. TRACS uses a set of keyword and mouse driven screens (HyperCard) which imposes adherence through a controlled user interface. The user interface provides an interactive capability to interrogate the data base and to display or print project requirement information. TRACS has a limited report capability, but can be extended with PostScript conventions.

Hammond, Dana P.↗
DOE OSTI2021

Sensitivity of the active neutron coincidence collar response during simulated and experimental fresh fuel assay

Verification of the fissile (and fertile) content in fresh nuclear fuel assemblies is conducted by the IAEA to enforce the Nuclear Non-Proliferation Treaty using the UNCL (Uranium Neutron Collar — Light Water Reactor Fuel). The UNCL uses an uncorrelated AmLi neutron source to interrogate the fuel, producing a signal of coincident fission neutrons (Doubles rate) used to assay 235 U content of the fuel. The cost of producing calibration assemblies and limited availability of diverse commercial assemblies at any one time historically restricted the ability to explore the full parameter space experimentally. Monte Carlo simulations can overcome this, but introduce additional sources of uncertainty. In this work, the sensitivity of simulations and measurements to various parameters is assessed for a reference 1616 PWR assembly of uniform 3.2% enrichment. Uncertainty contributions in this evaluation include: simulated AmLi neutron source spectrum, AmLi neutron emission rate, AmLi anisotropicity, high density polyethylene (HDPE) density, the precise position of the fuel assembly within the detector, and experimentally the statistical uncertainty. The overall total systematic uncertainty estimate for the simulation of the absolute/relative Doubles rates responses are estimated to be approximately 2.0%/1.5%, and for experimental measurements systematic uncertainty reduces to 1.1%. This analysis supports further work using the relative Doubles rates in place of measurements for updating and extending the UNCL analysis methodology as systematic uncertainty is reasonably small.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2008

Integrated Software Systems for Crew Management During Extravehicular Activity in Planetary Terrain Exploration

Initial planetary explorations with the Apollo program had a veritable ground support army monitoring the safety and health of the 12 astronauts who performed lunar surface extravehicular activities (EVAs). Given the distances involved, this will not be possible on Mars. A spacesuit for Mars must be smart enough to replace that army. The next generation suits can do so using 2 software systems serving as virtual companions, LEGACI (Life support, Exploration Guidance Algorithm and Consumable Interrogator) and VIOLET (Voice Initiated Operator for Life support and Exploration Tracking). The system presented in this study integrates data inputs from a suite of sensors into the MIII suit s communications, avionics and informatics hardware for distribution to remote managers and data analysis. If successful, the system has application not only for Mars but for nearer term missions to the Moon, and the next generation suits used on ISS as well. Field tests are conducted to assess capabilities for next generation spacesuits at Johnson Space Center (JSC) as well as the Mars and Lunar analog (Devon Island, Canada). LEGACI integrates data inputs from a suite of noninvasive biosensors in the suit and the astronaut (heart rate, suit inlet/outlet lcg temperature and flowrate, suit outlet gas and dewpoint temperature, pCO2, suit O2 pressure, state vector (accelerometry) and others). In the Integrated Walkback Suit Tests held at NASA-JSC and the HMP tests at Devon Island, communication and informatics capabilities were tested (including routing by satellite from the suit at Devon Island to JSC in Houston via secure servers at VCU in Richmond, VA). Results. The input from all the sensors enable LEGACI to compute multiple independent assessments of metabolic rate, from which a "best" met rate is chosen based on statistical methods. This rate can compute detailed information about the suit, crew and EVA performance using test-derived algorithms. VIOLET gives LEGACI voice activation capability, allowing the crew to query the suit, and receive feedback and alerts that will lead to corrective action. LEGACI and VIOLET can also automatically control the astronaut's cooling and consumable use rate without crew input if desired. These findings suggest that non-invasive physiological and environmental sensors supported with data analysis can allow for more effective management of mission task performance during EVA. Integrated remote and local view of data metrics allow crewmember to receive real time feedback in synch with mission control in preventing performance shortcomings for EVA in exploration missions.

Kuznetz, Lawrence↗
DOE OSTI2021

Deciphering enhancer sequence using thermodynamics-based models and convolutional neural networks

Abstract Deciphering the sequence-function relationship encoded in enhancers holds the key to interpreting non-coding variants and understanding mechanisms of transcriptomic variation. Several quantitative models exist for predicting enhancer function and underlying mechanisms; however, there has been no systematic comparison of these models characterizing their relative strengths and shortcomings. Here, we interrogated a rich data set of neuroectodermal enhancers in Drosophila, representing cis- and trans- sources of expression variation, with a suite of biophysical and machine learning models. We performed rigorous comparisons of thermodynamics-based models implementing different mechanisms of activation, repression and cooperativity. Moreover, we developed a convolutional neural network (CNN) model, called CoNSEPT, that learns enhancer ‘grammar’ in an unbiased manner. CoNSEPT is the first general-purpose CNN tool for predicting enhancer function in varying conditions, such as different cell types and experimental conditions, and we show that such complex models can suggest interpretable mechanisms. We found model-based evidence for mechanisms previously established for the studied system, including cooperative activation and short-range repression. The data also favored one hypothesized activation mechanism over another and suggested an intriguing role for a direct, distance-independent repression mechanism. Our modeling shows that while fundamentally different models can yield similar fits to data, they vary in their utility for mechanistic inference. CoNSEPT is freely available at: https://github.com/PayamDiba/CoNSEPT.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

PayamDiba/CoNSEPT

Deciphering the sequence-function relationship encoded in enhancers holds the key to interpreting non-coding variants and understanding mechanisms of transcriptomic variation. Several quantitative models exist for predicting enhancer function and underlying mechanisms; however, there has been no systematic comparison of these models characterizing their relative strengths and shortcomings. Here, we interrogated a rich data set of neuroectodermal enhancers in Drosophila, representing cis- and trans- sources of expression variation, with a suite of biophysical and machine learning models. We performed rigorous comparisons of thermodynamics-based models implementing different mechanisms of activation, repression and cooperativity. Moreover, we developed a convolutional neural network (CNN) model, called CoNSEPT, that learns enhancer ‘grammar’ in an unbiased manner. CoNSEPT is the first general-purpose CNN tool for predicting enhancer function in varying conditions, such as different cell types and experimental conditions, and we show that such complex models can suggest interpretable mechanisms. We found model-based evidence for mechanisms previously established for the studied system, including cooperative activation and short-range repression. The data also favored one hypothesized activation mechanism over another and suggested an intriguing role for a direct, distance-independent repression mechanism. Our modeling shows that while fundamentally different models can yield similar fits to data, they vary in their utility for mechanistic inference.

Dibaeinia, Payam↗
NASA NTRS1993

Physical interpretation and development of ultrasonic nondestructive evaluation techniques applied to the quantitative characterization of textile composite materials

In this Progress Report, we describe our current research activities concerning the development and implementation of advanced ultrasonic nondestructive evaluation methods applied to the characterization of stitched composite materials and bonded aluminum plate specimens. One purpose of this investigation is to identify and characterize specific features of polar backscatter interrogation which enhance the ability of ultrasound to detect flaws in a stitched composite laminate. Another focus is to explore the feasibility of implementing medical linear array imaging technology as a viable ultrasonic-based nondestructive evaluation method to inspect and characterize bonded aluminum lap joints. As an approach to implementing quantitative ultrasonic inspection methods to both of these materials, we focus on the physics that underlies the detection of flaws in such materials.

Miller, James G.↗
NASA NTRS2008

Addressing the Limit of Detectability of Residual Oxide Discontinuities in Friction Stir Butt Welds of Aluminum using Phased Array Ultrasound

This activity seeks to estimate a theoretical upper bound of detectability for a layer of oxide embedded in a friction stir weld in aluminum. The oxide is theoretically modeled as an ideal planar layer of aluminum oxide, oriented normal to an interrogating ultrasound beam. Experimentally-measured grain scattering level is used to represent the practical noise floor. Echoes from naturally-occurring oxides will necessarily fall below this theoretical limit, and must be above the measurement noise to be potentially detectable.

Johnston, P. H.↗
NASA NTRS1971

Nimbus 4/IRLS Balloon Interrogation Package (BIP)

The balloon interrogation package (BIP), an integral part of the overall interrogation, recording, and location subsystems (IRLS) for the Nimbus 4 program, is described. The BIP is a self-contained, integrated transponder designed to be carried aloft by a constant altitude, superpressure balloon to an altitude of 67,000 or 78,000 feet. After launch the BIP senses high-altitude balloon overpressure and temperature, and upon receipt of an interrogated command from the IRLS aboard the Nimbus 4 satellite, the BIP enodes the data on a real-time basis into a pulse-code modulation (PCM) format and transmits this data to the satellite. A summary of the program activity to produce 30 BIP systems and to support balloon launches from Ascension Island is presented.

Source record↗
DOE OSTI2025

Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial Microcompartment

Bacterial microcompartments (BMCs) are protein-bound organelles found in some bacteria which encapsulate enzymes for enhanced catalytic activity. These compartments spatially sequester enzymes within semipermeable shell proteins and are packed full of enzyme cargoes and metabolites as they fulfill their function. Coupling together recent SAXS and proteomics work, it is possible to develop molecular models for these microcompartments and interrogate enzyme and metabolite dynamics within. Our primary goal of this study is to quantify the permeability of metabolite glyceraldehyde-3-phosphate (G3P) and dihydroxyacetone phosphate (DHAP) across the BMC shell through classical molecular dynamics simulation. The Haliangium ochraceum model of BMC shell (PDB: 6MZX) was used to model an intact BMC of approximately 10 million atoms. Working at this scale presented its own challenges in managing large data sets, with multiple challenges and hardware advances discussed that facilitated this work. Over approximately 750 ns of aggregate simulation, we see multiple permeation events for these metabolites that were added at high concentration through the pores present within BMC shell tiles. When compared to independent permeability estimates for the same metabolites determined through replica exchange umbrella sampling simulations, the permeabilities varied by approximately 3 orders of magnitude. Regardless, the permeability coefficients for both G3P and DHAP are highly similar and very high, such that only very small concentration gradients can be maintained across the BMC shell between the cytosol and BMC interior. The large simulation systems also facilitated comparisons for molecular diffusivity in the crowded environment within the BMC shell. By our estimates, the viscosity within a packed BMC shell is at least 10-fold higher than it would be in neat solution and is the real driver for varying permeability estimates we obtained through simulation. These findings will be used as design inputs for future bioengineering efforts to make products from BMCs, highlighting how permeable BMC shells can be.

Diffusion↗
NASA NTRS2003

Pulse Detonation Rocket Magnetohydrodynamic Power Experiment

The production of onboard electrical power by pulse detonation engines is problematic in that they generate no shaft power; however, pulse detonation driven magnetohydrodynamic (MHD) power generation represents one intriguing possibility for attaining self-sustained engine operation and generating large quantities of burst power for onboard electrical systems. To examine this possibility further, a simple heat-sink apparatus was developed for experimentally investigating pulse detonation driven MHD generator concepts. The hydrogen oxygen fired driver was a 90 cm long stainless steel tube having a 4.5 cm square internal cross section and a short Schelkin spiral near the head end to promote rapid formation of a detonation wave. The tube was intermittently filled to atmospheric pressure and seeded with a CsOH/methanol prior to ignition by electrical spark. The driver exhausted through an aluminum nozzle having an area contraction ratio of A*/A(sub zeta) = 1/10 and an area expansion ratio of A(sub zeta)/A* = 3.2 (as limited by available magnet bore size). The nozzle exhausted through a 24-electrode segmented Faraday channel (30.5 cm active length), which was inserted into a 0.6 T permanent magnet assembly. Initial experiments verified proper drive operation with and without the nozzle attachment, and head end pressure and time resolved thrust measurements were acquired. The exhaust jet from the nozzle was interrogated using a polychromatic microwave interferometer yielding an electron number density on the order of 10(exp 12)/cm at the generator entrance. In this case, MHD power generation experiments suffered from severe near-electrode voltage drops and low MHD interaction; i.e., low flow velocity, due to an inherent physical constraint on expansion with the available magnet. Increased scaling, improved seeding techniques, higher magnetic fields, and higher expansion ratios are expected to greatly improve performance.

Litchford, R. J.↗
DOE OSTI2023

Redox-enabled electronic interrogation and feedback control of hierarchical and networked biological systems

Abstract Microelectronic devices can directly communicate with biology, as electronic information can be transmitted via redox reactions within biological systems. By engineering biology’s native redox networks, we enable electronic interrogation and control of biological systems at several hierarchical levels: proteins, cells, and cell consortia. First, electro-biofabrication facilitates on-device biological component assembly. Then, electrode-actuated redox data transmission and redox-linked synthetic biology allows programming of enzyme activity and closed-loop electrogenetic control of cellular function. Specifically, horseradish peroxidase is assembled onto interdigitated electrodes where electrode-generated hydrogen peroxide controls its activity. E. coli ’s stress response regulon, oxyRS , is rewired to enable algorithm-based feedback control of gene expression, including an eCRISPR module that switches cell-cell quorum sensing communication from one autoinducer to another—creating an electronically controlled ‘bilingual’ cell. Then, these disparate redox-guided devices are wirelessly connected, enabling real-time communication and user-based control. We suggest these methodologies will help us to better understand and develop sophisticated control for biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Illuminating gut microbiome signaling pathways that regulate host circadian rhythms

The gut microbiome affects host physiology by modulating nutrient acquisition and creating chemical signals that are received by host receptors. The molecular details of the orchestration of these microbial signaling processes remain largely unclear. We used a function-centric approach to interrogate the mechanistic links between gut microbiome metabolism and host circadian rhythms. We used rodent models, including germ-free mice, to determine how the gut microbiome influences host chronobiology by assaying metabolites in the gut and in circulation, and we used activity-based protein profiling to provide direct functional links to individual taxa. We specifically investigated how externally imposed behavioral schedules, such as feeding schedules, can desynchronize biological rhythms in metabolic organs (e.g., the gut, pancreas, and liver) from the central circadian rhythms regulated by the brain. We hypothesize that the gut microbiome creates chemical signals that can be entrained by feeding/fasting schedule to induce internal metabolic misalignment. Elaborating on the findings of this project will elucidate the chemical signals from the microbiome that modulate biological rhythms in the host’s metabolic organs.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2011

Planetary Geochemistry Techniques: Probing In-Situ with Neutron and Gamma Rays (PING) Instrument

The Probing In situ with Neutrons and Gamma rays (PING) instrument is a promising planetary science application of the active neutron-gamma ray technology so successfully used in oil field well logging and mineral exploration on Earth. The objective of our technology development program at NASA Goddard Space Flight Center's (NASA/GSFC) Astrochemistry Laboratory is to extend the application of neutron interrogation techniques to landed in situ planetary composition measurements by using a 14 MeV Pulsed Neutron Generator (PNG) combined with neutron and gamma ray detectors, to probe the surface and subsurface of planetary bodies without the need to drill. We are thus working to bring the PING instrument to the point where it can be flown on a variety of surface lander or rover missions to the Moon, Mars, Venus, asteroids, comets and the satellites of the outer planets.

Parsons, A.↗
DOE OSTI2024

Dynamic Evolution of Copper Nanowires during CO 2 Reduction Probed by Operando Electrochemical 4D-STEM and X-ray Spectroscopy

Nanowires have emerged as an important family of one-dimensional (1D) nanomaterials owing to their exceptional optical, electrical, and chemical properties. In particular, Cu nanowires (NWs) show promising applications in catalyzing the challenging electrochemical CO 2 reduction reaction (CO 2 RR) to valuable chemical fuels. Despite early reports showing morphological changes of Cu NWs after CO 2 RR processes, their structural evolution and the resulting exact nature of active Cu sites remain largely elusive, which calls for the development of multimodal operando time-resolved nm-scale methods. Here, in this study, we report that well-defined 1D copper nanowires, with a diameter of around 30 nm, have a metallic 5-fold twinned Cu core and around 4 nm Cu 2 O shell. Operando electrochemical liquid-cell scanning transmission electron microscopy (EC-STEM) showed that as-synthesized Cu@Cu 2 O NWs experienced electroreduction of surface Cu 2 O to disordered (spongy) metallic Cu shell (Cu@Cu S NWs) under CO 2 RR relevant conditions. Cu@Cu S NWs further underwent a CO-driven Cu migration leading to a complete evolution to polycrystalline metallic Cu nanograins. Operando electrochemical four-dimensional (4D) STEM in liquid, assisted by machine learning, interrogates the complex structures of Cu nanograin boundaries. Correlative operando synchrotron-based high-energy-resolution X-ray absorption spectroscopy unambiguously probes the electroreduction of Cu@Cu 2 O to fully metallic Cu nanograins followed by partial reoxidation of surface Cu during postelectrolysis air exposure. This study shows that Cu nanowires evolve into completely different metallic Cu nanograin structures supporting the operando (operating) active sites for the CO 2 RR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗