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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors

CD47 is an immune checkpoint molecule that downregulates key aspects of both the innate and adaptive anti-tumor immune response via its counter receptor SIRPα, and it is expressed at high levels in a wide variety of tumor types. This has led to the development of biologics that inhibit SIRPα engagement including humanized CD47 antibodies and a soluble SIRPα decoy receptor that are currently undergoing clinical trials. Unfortunately, toxicological issues, including anemia related to on-target mechanisms, are barriers to their clinical advancement. Another potential issue with large biologics that bind CD47 is perturbation of CD47 signaling through its high-affinity interaction with the matricellular protein thrombospondin-1 (TSP1). One approach to avoid these shortcomings is to identify and develop small molecule molecular probes and pretherapeutic agents that would (1) selectively target SIRPα or TSP1 interactions with CD47, (2) provide a route to optimize pharmacokinetics, reduce on-target toxicity and maximize tissue penetration, and (3) allow more flexible routes of administration. As the first step toward this goal, we report the development of an automated quantitative high-throughput screening (qHTS) assay platform capable of screening large diverse drug-like chemical libraries to discover novel small molecules that inhibit CD47-SIRPα interaction. Using time-resolved Förster resonance energy transfer (TR-FRET) and bead-based luminescent oxygen channeling assay formats (AlphaScreen), we developed biochemical assays, optimized their performance, and individually tested them in small-molecule library screening. Based on performance and low false positive rate, the LANCE TR-FRET assay was employed in a ~90,000 compound library qHTS, while the AlphaScreen oxygen channeling assay served as a cross-validation orthogonal assay for follow-up characterization. With this multi-assay strategy, we successfully eliminated compounds that interfered with the assays and identified five compounds that inhibit the CD47- SIRPα interaction; these compounds will be further characterized and later disclosed. Importantly, our results validate the large library qHTS for antagonists of CD47-SIRPα interaction and suggest broad applicability of this approach to screen chemical libraries for other protein-protein interaction modulators.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Predicting Selectivity of Uranium vs. Vanadium from First Principles: Complete Molecular Design and Adsorption Modeling

Uranium is used as the basic fuel for nuclear power plants, which generate significant amounts of electricity and have life cycle carbon emissions that are as low as renewable energy sources. The extraction of this valuable energy commodity from the ground remains controversial, however, mainly because of environmental and health impacts. Alternatively, seawater offers an enormous uranium resource that may be tapped at minimal environmental cost. Currently, amidoxime polymers are the most widely considered adsorbent materials for large-scale extraction of uranium from seawater, but they are not perfectly selective for uranyl, UO 2 2+ . In particular, the competition between UO 2 2+ and vanadium (VO 2+ /VO 2 + ) cations poses a significant challenge to the efficient mining of UO 2 2+ . Thus, accelerating progress in the discovery and deployment of advanced materials for the recovery of uranium relies on the design of new ligands with high binding affinity and selectivity for uranium over competing metal ions. A cost-effective route to aid the discovery of new ligands is to apply computational methods to rapidly test attractive candidates and elucidate data-driven guidelines for rational design.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

In-Use and Vehicle Dynamometer Evaluation and Comparison of Class 7 Hybrid Electric and Conventional Diesel Delivery Trucks

This study compared fuel economy and emissions between heavy-duty hybrid electric vehicles (HEVs) and equivalent conventional diesel vehicles. In-use field data were collected from daily fleet operations carried out at a FedEx facility in California on six HEV and six conventional 2010 Freightliner M2-106 straight box trucks. Field data collection primarily focused on route assessment and vehicle fuel consumption over a six-month period. Chassis dynamometer testing was also carried out on one conventional vehicle and one HEV to determine differences in fuel consumption and emissions. Route data from the field study was analyzed to determine the selection of dynamometer test cycles. From this analysis, the New York Composite (NYComp), Hybrid Truck Users Forum Class 6 (HTUF 6), and California Air Resource Board (CARB) Heavy Heavy-Duty Diesel Truck (HHDDT) drive cycles were chosen. The HEV showed 31% better fuel economy on the NYComp cycle, 25% better on the HTUF 6 cycle and 4% worse on the CARB HHDDT cycle when compared to the conventional vehicle. The in-use field data indicates that the HEVs had around 16% better fuel economy than the conventional vehicles. Dynamometer testing also showed that the HEV generally emitted higher levels of nitric oxides than the conventional vehicle over the drive cycles, up to 77% higher on the NYComp cycle (though this may at least in part be attributed to the different engine certification levels in the vehicles tested). The conventional vehicle was found to accelerate up to freeway speeds over ten seconds faster than the HEV.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1976

NASA Global Atmospheric Sampling Program (GASP) data report for tape VL0004

The NASA Global Atmospheric Sampling Program (GASP) is obtaining measurements of atmospheric trace constituents in the upper troposphere and lower stratosphere using fully automated air sampling systems on board several commercial B-747 aircraft in routine airline service. Atmospheric ozone, water vapor, and related flight and meteorological data were obtained during 139 flights of a United Airlines B-747 and a Pan American World Airways B-747 from December 1975 through March 1976. In addition, sample bottles were exposed during three flights and analyzed for trichlorofluoromethane, and filter samples were exposed during five flights and analyzed for sulfates, nitrates, and chlorides. Flight routes and dates, instrumentation, data processing procedures, data tape specifications, and selected analyses are discussed.

Holdeman, J. D.↗
NASA NTRS1977

NASA Global Atmospheric Sampling Program (GASP) data report for tape VL0006

The NASA Global Atmospheric Sampling Program (GASP) is obtaining measurements of atmospheric trace constituents in the upper troposphere and lower stratosphere using fully automated air sampling systems on board several commercial B-747 aircraft in routine airline service. Atmospheric ozone, and related flight and meteorological data were obtained during 245 flights of a Qantas Airways of Australia B-747 and two Pan American World Airways B-747s from July 1976 through September 1976. In addition, whole air samples, obtained during three flights, were analyzed for trichlorofluoromethane, and filter samples, obtained during four flights, were analyzed for sulfates, nitrates, fluorides, and chlorides. Flight routes and dates, instrumentation, data processing procedures, data tape specifications, and selected analyses are discussed.

Gauntner, D. J.↗
DOE OSTI2026

High-Rate, Selective Electrosynthesis of Cyclohexanone Oxime via In Situ Generation and Release of Hydroxylamine on Bismuth

Oxime compounds are key industrial intermediates for nylon precursors and commodity chemicals. However, conventional routes rely on multistep reactions and hydroxylamine (NH 2 OH) salts, raising significant safety and sustainability concerns. Although electrosynthesis offers an alternative, oxime formation on d-block transition metals suffers from poor selectivity, as nitrogen oxyanion intermediates bind strongly to the surface and are readily over-reduced to ammonia. Here, we report morphology-controlled p-block bismuth rhombic dodecahedra (Bi RDs) that promote in situ NH 2 OH generation and its desorption into the electrolyte, enabling an electrochemical-chemical decoupled route for cyclohexanone oxime (CHO) synthesis. Bi RDs deliver nearly 100% Faradaic efficiency (FE) at −0.5 V vs. RHE and a yield of 1.4 mmol h –1 cm –2 at −0.9 V vs. RHE in an H-cell, while maintaining a CHO selectivity of nearly 100% at 100 mA cm –2 in a flow cell. Under identical conditions, d-block electrodes (Cu, Pd, Ag) show FE below 30%. Density functional theory calculations reveal that Bi 6p orbital-derived surface states weaken intermediate binding and facilitate NH 2 OH desorption, suppressing over-reduction. Kinetic analysis, post-addition trapping experiments, and in situ ATR-FTIR and Raman spectroscopy suggest the following reaction mechanism: NH 2 OH is selectively generated at the electrode surface, released as a freely diffusing intermediate, and undergoes homogeneous condensation with cyclohexanone in the bulk electrolyte, bypassing the surface-confined Langmuir–Hinshelwood pathway. These findings demonstrate that regulating intermediate desorption through p-block orbital chemistry provides a general strategy for achieving high selectivity in electro-organic nitrogen synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Wet atmospheric generation apparatus

The invention described relates to an apparatus for providing a selectively humidified gas to a camera canister containing cameras and film used in space. A source of pressurized gas (leak test gas or motive gas) is selected by a valve, regulated to a desired pressure by a regulator, and routed through an ejector (venturi device). A regulated source of water vapor in the form of steam from a heated reservoir is coupled to a low pressure region of the ejector which mixes with high velocity gas flow through the ejector. This mixture is sampled by a dew point sensor to obtain dew point thereof (ratio of water vapor to gas) and the apparatus adjusted by varying gas pressure or water vapor to provide a mixture at a connector having selected humidity content.

Hamner, Richard M.↗
DOE OSTI2015

A novel process route for the production of spherical SLS polymer powders

Currently, rapid prototyping gradually is transferred to additive manufacturing opening new applications. Especially selective laser sintering (SLS) is promising. One drawback is the limited choice of polymer materials available as optimized powders. Powders produced by cryogenic grinding show poor powder flowability resulting in poor device quality. Within this account we present a novel process route for the production of spherical polymer micron-sized particles of good flowability. The feasibility of the process chain is demonstrated for polystyrene e. In a first step polymer microparticles are produced by a wet grinding method. By this approach the mean particle size and the particle size distribution can be tuned between a few microns and several 10 microns. The applicability of this method will be discussed for different polymers and the dependencies of product particle size distribution on stressing conditions and process temperature will be outlined. The comminution products consist of microparticles of irregular shape and poor powder flowability. An improvement of flowability of the ground particles is achieved by changing their shape: they are rounded using a heated downer reactor. The influence of temperature profile and residence time on the product properties will be addressed applying a viscous-flow sintering model. To further improve the flowability of the cohesive spherical polymer particles nanoparticles are adhered onto the microparticles’ surface. The improvement of flowability is remarkable: rounded and dry-coated powders exhibit a strongly reduced tensile strength as compared to the comminution product. The improved polymer powders obtained by the process route proposed open new possibilities in SLS processing including the usage of much smaller polymer beads.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

On the Road to Regeneration: “Tools” and “Routes” Towards Efficient Cardiac Cell Therapy for Ischemic Cardiomyopathy

Purpose of Review: Cardiac regenerative medicine is a field bridging together biotechnology and surgical science. In this review, we present the explored surgical roads to cell delivery and the known effects of each delivery method on cell therapy efficiency. We also list the more recent clinical trials, exploring the safety and efficacy of delivery routes used for cardiac cell therapy approaches. Recent Findings: There is no consensus in defining which way is the most suitable for the delivery of the different therapeutic cell types to the damaged heart tissue. In addition, it emerged that the “delivery issue” has not been systematically addressed in each clinical trial and for each and every cell type capable of cardiac repair. Summary: Cardiac damage occurring after an ischemic insult triggers a cascade of cellular events, eventually leading to heart failure through fibrosis and maladaptive remodelling. None of the pharmacological or medical interventions approved so far can rescue or reverse this phenomenon, and cardiovascular diseases are still the leading cause of death in the western world. Therefore, for nearly 20 years, regenerative medicine approaches have focused on cell therapy as a promising road to pursue, with numerous preclinical and clinical testing of cell-based therapies being studied and developed. Nonetheless, consistent clinical results are still missing to reach consensus on the most effective strategy for ischemic cardiomyopathy, based on patient selection, diagnosis and stage of the disease, therapeutic cell type, and delivery route.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2013

Contact Graph Routing Enhancements Developed in ION for DTN

The Interplanetary Overlay Network (ION) software suite is an open-source, flight-ready implementation of networking protocols including the Delay/Disruption Tolerant Networking (DTN) Bundle Protocol (BP), the CCSDS (Consultative Committee for Space Data Systems) File Delivery Protocol (CFDP), and many others including the Contact Graph Routing (CGR) DTN routing system. While DTN offers the capability to tolerate disruption and long signal propagation delays in transmission, without an appropriate routing protocol, no data can be delivered. CGR was built for space exploration networks with scheduled communication opportunities (typically based on trajectories and orbits), represented as a contact graph. Since CGR uses knowledge of future connectivity, the contact graph can grow rather large, and so efficient processing is desired. These enhancements allow CGR to scale to predicted NASA space network complexities and beyond. This software improves upon CGR by adopting an earliest-arrival-time cost metric and using the Dijkstra path selection algorithm. Moving to Dijkstra path selection also enables construction of an earliest- arrival-time tree for multicast routing. The enhancements have been rolled into ION 3.0 available on sourceforge.net.

Segui, John S.↗
DOE OSTI2021

Orchestrated trios: compiling for efficient communication in Quantum programs with 3-Qubit gates

Current quantum computers are especially error prone and require high levels of optimization to reduce operation counts and maximize the probability the compiled program will succeed. These computers only support operations decomposed into one- and two-qubit gates and only two-qubit gates between physically connected pairs of qubits. Typical compilers first decompose operations, then route data to connected qubits. We propose a new compiler structure, Orchestrated Trios, that first decomposes to the three-qubit Toffoli, routes the inputs of the higher-level Toffoli operations to groups of nearby qubits, then finishes decomposition to hardware-supported gates. This significantly reduces communication overhead by giving the routing pass access to the higher-level structure of the circuit instead of discarding it. A second benefit is the ability to now select an architecture-tuned Toffoli decomposition such as the 8-CNOT Toffoli for the specific hardware qubits now known after the routing pass. Furthermore, we perform real experiments on IBM Johannesburg showing an average 35% decrease in two-qubit gate count and 23% increase in success rate of a single Toffoli over Qiskit. We additionally compile many near-term benchmark algorithms showing an average 344% increase in (or 4.44x) simulated success rate on the Johannesburg architecture and compare with other architecture types.

compiler↗
DOE OSTI2023

When Spectral Modeling Meets Convolutional Networks: A Method for Discovering Reionization-era Lensed Quasars in Multiband Imaging Data

Over the last two decades, around 300 quasars have been discovered at z ≳ 6, yet only one has been identified as being strongly gravitationally lensed. We explore a new approach—enlarging the permitted spectral parameter space, while introducing a new spatial geometry veto criterion—which is implemented via image-based deep learning. We first apply this approach to a systematic search for reionization-era lensed quasars, using data from the Dark Energy Survey, the Visible and Infrared Survey Telescope for Astronomy Hemisphere Survey, and the Wide-field Infrared Survey Explorer. Our search method consists of two main parts: (i) the preselection of the candidates, based on their spectral energy distributions (SEDs), using catalog-level photometry; and (ii) relative probability calculations of the candidates being a lens or some contaminant, utilizing a convolutional neural network (CNN) classification. The training data sets are constructed by painting deflected point-source lights over actual galaxy images, to generate realistic galaxy–quasar lens models, optimized to find systems with small image separations, i.e., Einstein radii of θ E ≤ 1''. Visual inspection is then performed for sources with CNN scores of P lens > 0.1, which leads us to obtain 36 newly selected lens candidates, which are awaiting spectroscopic confirmation. These findings show that automated SED modeling and deep learning pipelines, supported by modest human input, are a promising route for detecting strong lenses from large catalogs, which can overcome the veto limitations of primarily dropout-based SED selection approaches.

High-redshift galaxies↗
DOE OSTI2025

Selective Hydrogenation of Furfural Acetone over a Cu Catalyst: Combined Theoretical and Experimental Study

The selective hydrogenation of biomass-derived hydroxymethyl furfural (HMF)-acetone-HMF (HAH) presents an alternative route to producing highly functionalized polyesters and polyurethanes. While HAH undergoes furan ring hydrogenation over Pd, Ru, and Ni catalysts, furan ring hydrogenation is not observed over Cu. Herein, we combine reaction kinetics experiments and density functional theory calculations to elucidate the selective hydrogenation behavior of HAH over Cu catalysts. We identified furfural acetone (FAc) as a suitable surrogate for modeling HAH hydrogenation over Cu surfaces and performed reaction kinetics experiments between temperatures of 313–393 K and a H 2 partial pressure of 55 bar. Similar to the behavior of HAH, hydrogenation of FAc follows a consecutive two-step hydrogenation pathway over Cu and does not undergo furan ring hydrogenation. The apparent activation energy barriers for hydrogenation of the aliphatic double bond (0.58 eV) and carbonyl (0.43 eV) of FAc measured in a continuous flow reactor setup are consistent with those reported in prior studies for batch HAH hydrogenation. Reaction orders with respect to each reactant, including H 2 and FAc, were determined to be nearly one. Density functional theory (DFT; GGA-PBE-D3) calculations on Cu(111) showed that the hydrogenation of the aliphatic double bond of FAc is more facile than the hydrogenation of the furan ring, which displays weak interactions with the Cu surface. We determined an apparent activation energy barrier for FAc hydrogenation (0.58 eV) that agreed with our DFT predictions (highest barrier for FAc hydrogenation of 0.57 eV). Finally, our DFT calculations further show that weak interactions between the furan ring and Cu surface are responsible for the selective hydrogenation behavior.

Biomass↗
DOE OSTI2021

Photochemical C( sp )–C( sp 2 ) Bond Activation in Phosphaalkynes: A New Route to Reactive Terminal Cyaphido Complexes L n M–C≡P

The photochemical activation of the C(sp)–C(sp 2 ) bond in Pt(0)-η 2 -aryl-phosphaalkyne complexes leads selectively to coordination compounds of the type L n Pt(aryl)(C≡P). The oxidative addition reaction is a novel, clean, and atom-economic route for the synthesis of reactive terminal Pt(II)-cyaphido complexes, which can undergo [3 + 2] cycloaddition reactions with organic azides, yielding the corresponding Pt(II)-triazaphospholato complexes. The C–C bond cleavage reaction is thermodynamically uphill. Upon heating, the reverse and quantitative reductive elimination toward the Pt(0)-phosphaalkyne-π-complex is observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Social survey findings on en route noise annoyance issues

Most surveys of residents' reactions to aircraft noise were conducted in the vicinity of airports. The findings in those surveys have supported planning and regulatory actions for the airport noise environment. Now, however, aircraft noise planning and regulations are being considered for a new environment, the en route environment. As policy makers search for bases for public policy in these new noise environments, it is appropriate to ask whether the same scientific evidence which supports airport noise policy can also support en route noise policy. Several aspects of that question are considered. An introduction establishes the scope of the present study and examines alternative study methodologies. Next, the selected study methodology is described and important assumptions are listed. The body of the paper then consists of the findings on en route issues. The final section presents findings on relevant research methods and considers priorities for further research.

Fields, James M.↗
DOE OSTI2026

Polarization‐Engineered Near‐Field Generation Using a Hybrid Tip–Antenna System

Precise control of light polarization at the nanoscale is critical for accessing chiral optical responses and manipulating spin–photon interactions in advanced materials. Yet, conventional scattering-type near-field probes predominantly generate out-of-plane linear polarization and offer little control over phase or polarization state. Here, in this study, we introduce a polarization-engineered near-field methodology based on a combined metallic tip and planar dipole nanoantenna system. Using full-wave electromagnetic simulations, we show that the tip acts as a vertically oriented plasmonic resonator, while the antenna supports an in-plane dipolar mode. By tuning the tip–antenna geometry and tip height, the two orthogonal field components attain comparable amplitudes and a controllable ∼90° phase offset, producing circularly polarized nano-light in the antenna gap. The proposed system effectively functions as a nanoscale quarter-wave plate, converting linearly polarized illumination into circularly polarized hotspots without external polarization optics. This method establishes an experimentally accessible route toward polarization-programmable near-field nanoscopy, enabling chiral spectroscopy, selective excitation of spin/valley degrees of freedom, and quantum optical investigations at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Engineering Redox Potential of Lithium Clusters for Electrode Material in Lithium-Ion Batteries

Low negative electrode potential and high reactivity makes lithium (Li) ideal candidate for obtaining highest possible energy density among other materials. Here, we show a novel route with which the overall electrode potential could significantly be enhanced through selection of cluster size. In using first principles density functional theory and continuum dielectric model, we studied free energy and redox potential as well as investigated relative stability of Li n (n ≤ 8) clusters in both gas phase and solution. We found that Li 3 has the lowest negative redox potential (thereby highest overall electrode potential) suggesting that cluster based approach could provide a novel way of engineering the next generation battery technology. The microscopic origin of Li 3 cluster’s superior performance is related to two major factors: gas phase ionization and difference between solvation free energy for neutral and positive ion. Taken together, our study provides insight into the engineering of redox potential in battery and could stimulate further work in this direction.

25 ENERGY STORAGE↗
DOE OSTI2016

Nanocrystalline sp{sup 2} and sp{sup 3} carbons: CVD synthesis and applications

The design and production of innovative materials based on nanocrystalline sp{sup 2}- and sp{sup 3}-coordinated carbons is presently a focus of the scientific community. We present a review of the nanostructures obtained in our labs using a series of synthetic routes, which make use of chemical vapor deposition (CVD) techniques for the selective production of non-planar graphitic nanostructures, nanocrystalline diamonds, and hybrid two-phase nanostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗