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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Atomic-Site-Specific Surface Valence-Band Structure from X-Ray Standing-Wave Excited Photoemission

X-ray standing-wave (XSW) excited photoelectron emission was used to measure the site-specific valence band (VB) for ½ monolayer (ML) Pt grown on a SrTiO 3 (001) surface. The XSW induced modulations in the core level (CL), and VB photoemission from the surface and substrate atoms were monitored for three ℎ⁡kl substrate Bragg reflections. The XSW CL analysis shows the Pt to have a face-centered-cubic-like cube-on-cube epitaxy with the substrate. The XSW VB information compares well to a density functional theory calculated projected density of states from the surface and substrate atoms. Altogether, this Letter represents a novel method for determining the contribution to the density of states by valence electrons from specific atomic surface sites.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2004

Utility of Thin-Film Solar Cells on Flexible Substrates for Space Power

The thin-film solar cell program at NASA GRC is developing solar cell technologies for space applications which address two critical metrics: specific power (power per unit mass) and launch stowed volume. To be competitive for many space applications, an array using thin film solar cells must significantly increase specific power while reducing stowed volume when compared to the present baseline technology utilizing crystalline solar cells. The NASA GRC program is developing two approaches. Since the vast majority of the mass of a thin film solar cell is in the substrate, a thin film solar cell on a very lightweight flexible substrate (polymer or metal films) is being developed as the first approach. The second approach is the development of multijunction thin film solar cells. Total cell efficiency can be increased by stacking multiple cells having bandgaps tuned to convert the spectrum passing through the upper cells to the lower cells. Once developed, the two approaches will be merged to yield a multijunction, thin film solar cell on a very lightweight, flexible substrate. The ultimate utility of such solar cells in space require the development of monolithic interconnections, lightweight array structures, and ultra-lightweight support and deployment techniques.

Dickman, J. E.↗
DOE OSTI2024

Targeted protein degradation systems to enhance Wnt signaling

Molecules that facilitate targeted protein degradation (TPD) offer great promise as novel therapeutics. The human hepatic lectin asialoglycoprotein receptor (ASGR) is selectively expressed on hepatocytes. We have previously engineered an anti-ASGR1 antibody-mutant RSPO2 (RSPO2RA) fusion protein (called SWEETS) to drive tissue-specific degradation of ZNRF3/RNF43 E3 ubiquitin ligases, which achieved hepatocyte-specific enhanced Wnt signaling, proliferation, and restored liver function in mouse models, and an antibody–RSPO2RA fusion molecule is currently in human clinical trials. In the current study, we identified two new ASGR1- and ASGR1/2-specific antibodies, 8M24 and 8G8. High-resolution crystal structures of ASGR1:8M24 and ASGR2:8G8 complexes revealed that these antibodies bind to distinct epitopes on opposing sides of ASGR, away from the substrate-binding site. Both antibodies enhanced Wnt activity when assembled as SWEETS molecules with RSPO2RA through specific effects sequestering E3 ligases. In addition, 8M24-RSPO2RA and 8G8-RSPO2RA efficiently downregulate ASGR1 through TPD mechanisms. These results demonstrate the possibility of combining different therapeutic effects and degradation mechanisms in a single molecule.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Non-reactive facet specific adsorption as a route to remediation of chlorinated organic contaminants

The present work quantifies metal-contaminant interactions between palladium substrates and three salient chlorinated organic contaminants, namely trichloroethylene 1,3,5-trichlorobenzene (TCB), and 3,3′,4,4′-tetrachlorobiphenyl (PCB77). Given that Pd is one of the conventional catalytically active materials known for contaminant removal, maximizing catalytic efficiency through optimal adsorption dynamics reduces the cost of remediation of contaminants that are persistent water pollutants chronically affecting public health. Adsorption efficiency analyses from all-atom molecular dynamics (MD) simulations advance the understanding of reaction mechanisms available from density functional theory (DFT) calculations to an extractable feature scale that can fit the parametric design of supported metal catalytic systems and feed into high throughput catalyst selection. Data on residence time, site-specific adsorption, binding energies, packing geometries, orientation profiles, and the effect of adsorbate size show the anomalous behaviour of organic contaminant adsorption on the undercoordinated {110} surface as compared to the {111} and {100} surfaces. The intermolecular interaction within contaminants from molecular dynamics simulation exhibits refreshing results than ordinary single molecule density functional theory calculation. Since complete adsorption and dechlorination is an essential step for chlorinated organic contaminant remediation pathways, the presented profiles provide essential information for designing efficient remediation systems through facet-controlled palladium nanoparticles.

Guo, Hao↗
DOE OSTI2018

Layer-by-Layer Synthesis of Thick Mesoporous TiO 2 Films with Vertically Oriented Accessible Nanopores and Their Application for Lithium-Ion Battery Negative Electrodes

TiO 2 films of varying thicknesses (up to ≈1.0 µm) with vertically oriented, accessible 7–9 nm nanopores are synthesized using an evaporation-induced self-assembly layer-by-layer technique. The hypothesis behind the approach is that epitaxial alignment of hydrophobic blocks of surfactant templates induces a consistent, accessible mesophase orientation across a multilayer film, ultimately leading to continuous, vertically aligned pore channels. Characterization using grazing incidence X-ray scattering, scanning electron microscopy, and impedance spectroscopy indicates that the pores are oriented vertically even in relatively thick films (up to 1 µm). These films contain a combination of amorphous and nanocrystalline anatase titania of value for electrochemical energy storage. When applied as negative electrodes in lithium-ion batteries, a capacity of 254 mAh g -1 is obtained after 200 cycles for a single-layer TiO 2 film prepared on modified substrate, higher than on unmodified substrate or nonporous TiO 2 film, due to the high accessibility of the vertically oriented channels in the films. Thicker films on modified substrate have increased absolute capacity because of higher mass loading but a reduced specific capacity because of transport limitations. These results suggest that the multilayer epitaxial approach is a viable way to prepare high capacity TiO 2 films with vertically oriented continuous nanopores.

25 ENERGY STORAGE↗
DOE OSTI2022

Two-layer transient heat transfer using impulse response methods

Solutions to the inverse heat conduction problem (IHCP) are methods that can be used to quantify surface heat flux in multi-layer materials for components in which there are limited subsurface (internal) temperature measurements, such as coated components. A critical consideration is to capture high frequency fluctuations using a practical heat flux sensor. To that end, this paper highlights key parameters for calculating accurate surface heat transfer. Specifically, this research extends the available solutions to the IHCP for multi-substrate structures through an impulse response methodology. The sensitivity of the impulse method was quantified with respect to practical measurements. Further, when compared to the inverse case, the impulse method resulted in lower errors when calculating surface heat flux over a range of conditions. Overall, this work provides a foundation for deducing heat flux from a subsurface heat flux sensor while maintaining a high-frequency response.

42 ENGINEERING↗
DOE OSTI2022

A chemical approach for the specific generation of cysteine sulfinylation

Oxidative modifications of protein cysteines play a crucial role in regulating redox homeostasis, redox signaling, and protein function. One of the modifications involves the oxidation of a cysteine thiol to a sulfinic acid (R-SO 2 H) which has been considered a marker for oxidative stress and an important activator for certain proteins. Here, in this study, we report a protocol for the selective formation of sulfinic acids on cysteine residues in a simple 3-step operation under mild conditions: thiol-blocking, oxidation, and reduction. The specificity and efficiency of the method were demonstrated by using both small molecule substrates and a protein model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Structural and Functional Characterization of YdjI, an Aldolase of Unknown Specificity in Escherichia coli K12

The ydj gene cluster is found in 80% of sequenced Escherichia coli genomes and other closely related species in the human microbiome. On the basis of the annotations of the enzymes located in this cluster, it is expected that together they catalyze the catabolism of an unknown carbohydrate. The focus of this investigation is on YdjI, which is in the ydj gene cluster of E. coli K-12. It is predicted to be a class II aldolase of unknown function. Here we describe a structural and functional characterization of this enzyme. YdjI catalyzes the hydrogen/deuterium exchange of the pro- S hydrogen at C3 of dihydroxyacetone phosphate (DHAP). In the presence of DHAP, YdjI catalyzes an aldol condensation with a variety of aldo sugars. YdjI shows a strong preference for higher-order (seven-, eight-, and nine-carbon) monosaccharides with specific hydroxyl stereochemistries and a negatively charged terminus (carboxylate or phosphate). The best substrate is l -arabinuronic acid with an apparent k cat of 3.0 s –1 . The product, l - glycero - l - galacto -octuluronate-1-phosphate, has a k cat / K m value of 2.1 × 10 3 M –1 s –1 in the retro-aldol reaction with YdjI. This is the first recorded synthesis of l - glycero - l - galacto -octuluronate-1-phosphate and six similar carbohydrates. The crystal structure of YdjI, determined to a nominal resolution of 1.75 Å (Protein Data Bank entry 6OFU ), reveals unusual positions for two arginine residues located near the active site. Furthermore, computational docking was utilized to distinguish preferable binding orientations for l - glycero - l - galacto -octuluronate-1-phosphate. These results indicate a possible alternative binding orientation for l - glycero - l - galacto -octuluronate-1-phosphate compared to that observed in other class II aldolases, which utilize shorter carbohydrate molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A large-scale screening campaign of putative carbohydrate-active enzymes reveals a novel xylanase from anaerobic gut fungi

The genomes of anaerobic gut fungi (AGF) encode a diverse array of carbohydrate-active enzymes (CAZymes), yet exceedingly few of these enzymes have been experimentally validated or expressed in heterologous systems. Here, we developed a predictive bioinformatic pipeline to annotate novel putative CAZymes from anaerobic fungi and validate their activity through large-scale heterologous expression in Escherichia coli. A total of 173 fungal proteins from Piromyces finnis associated with biomass degradation were synthesized and expressed in E. coli, and 9.8% were soluble with expression levels exceeding 5% of the total proteome using high-throughput proteomic screening. Among these 17 heterologously expressed proteins, analysis with AlphaFold and FoldSeek predicted 13 multi-functional proteins containing catalytic domains fused with repetitive fungal dockerins, and half of the substrate predictions were experimentally validated. One promising enzyme, celsome_012, exhibited robust and specific activity against beechwood xylan at 37°C and pH 6.4, with titers that were also fivefold higher than those of other recombinant proteins screened here. Both Michaelis-Menten kinetics and the linearized Lineweaver-Burk equation yielded consistent values for K m , and its activation energy was estimated at 51.9 kJ/mol based on the Arrhenius model. This work supports the industrial translation of anaerobic fungal CAZymes due to their robust lignocellulolytic activity and provides a framework for prioritizing AGF proteins for efficient E. coli heterologous expression.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Single-molecule imaging of lignocellulose deconstruction by SCATTIRSTORM microscopy

The goal of this project is to build a multimodal optical microscope to measure the binding, processive degradation, and pausing behaviors of cellulases as they interact with and degrade both synthetic and naturally occurring lignocellulosic walls. To achieve this, we will use high spatio-temporal single-molecule imaging to track cellulases, while visualizing specific molecular components of cellulose, lignin and hemicellulose, that make up their lignocellulose substrate. The microscope will combine Interferometric Scattering (iSCAT), which provides unprecedented spatiotemporal resolution; Total Internal Reflection Fluorescence (TIRF), which provides single-molecule resolution of multiple fluorophore-labeled molecules; and Stochastic Reconstruction (STORM), which allows for three-dimensional super-resolution imaging of intact plant cell walls during degradation. Initial studies will investigate cellulase dynamics on in vitro-assembled cell wall analogs, and later work will progress to using native plant cell walls.

09 BIOMASS FUELS↗
NASA NTRS1996

Lightweight Cathodes For Nickel Batteries

Lightweight cathodes for rechargeable nickel-based electrochemical cells undergoing development. In cathodes, mats of nickel fibers are substrates providing structural support of, and electrical contact with, active cathode material. Offers specific energies greater than sintered nickel plaque cathodes. Electrodes used in rechargeable batteries for applications in which weight major concern, including laptop computers, cellular phones, flashlights, soldiers' backpacks, and electric vehicles.

Britton, Doris L.↗
NASA NTRS2002

SMEX-Lite Modular Solar Array Architecture

For the most part, Goddard solar arrays have been custom designs that are unique to each mission. The solar panel design has been frozen prior to issuing an RFP for their procurement. There has typically been 6-9 months between RFP release and contract award, followed by an additional 24 months for performance of the contract. For Small Explorer (SMEX) missions, with three years between mission definition and launch, this has been a significant problem. The SMEX solar panels have been sufficiently small that the contract performance period has been reduced to 12-15 months. The bulk of this time is used up in the final design definition and fabrication of flight solar cell assemblies. Even so, it has been virtually impossible to have the spacecraft design at a level of maturity sufficient to freeze the solar panel geometry and release the RFP in time to avoid schedule problems with integrating the solar panels to the spacecraft. With that in mind, the SMEX-Lite project team developed a modular architecture for the assembly of solar arrays to greatly reduce the cost and schedule associated with the development of a mission- specific solar array. In the modular architecture, solar cells are fabricated onto small substrate panels. This modular panel (approximately 8.5" x 17" in this case) becomes the building block for constructing solar arrays for multiple missions with varying power requirements and geometrical arrangements. The mechanical framework that holds these modules together as a solar array is the only mission-unique design, changing in size and shape as required for each mission. There are several advantages to this approach. First, the typical solar array development cycle requires a mission unique design, procurement, and qualification including a custom qualification panel. With the modular architecture, a single qualification of the SMEX-Lite modules and the associated mechanical framework in a typical configuration provided a qualification by similarity to multiple missions. It then becomes possible to procure solar array modules in advance of mission definition and respond quickly and inexpensively to a selected mission's unique requirements. The solar array modular architecture allows the procurement of solar array modules before the array geometry has been frozen. This reduces the effect of procurement lead-time on the mission integration and test flow by as much as 50%. Second, by spreading the non-recurring costs over multiple missions, the cost per unit area is also reduced. In the case of the SMEX-Lite procurement, this reduction was by about one third of the cost per unit area compared to previous SMEX mission-unique procurements. Third, the modular architecture greatly facilitates the infusion of new solar cell technologies into flight programs as these technologies become available. New solar cell technologies need only be fabricated onto a standard-sized module to be incorporated into the next available mission. The modular solar array can be flown in a mixed configuration with some new and some standard cell technologies. Since each module has its own wiring terminals, the array can be arranged as desired electrically with little impact to cost and schedule. The solar array modular architecture does impose some additional constraints on systems and subsystem engineers. First, they must work with discrete solar array modules rather than size the array to fit exactly within an available envelope. The array area is constrained to an integer multiple of the module area. Second, the modular design is optimized for space radiation and thermal environments not greatly different from a typical SMEX LEO environment. For example, a mission with a highly elliptical orbit (e.g., Polar, SMEX/FAST) would require thicker coverglasses to protect the solar cells from the more intense radiation environment.

Lyons, John↗
NASA NTRS2012

Thermostructural Evaluation of Joggle Region on the Shuttle Orbiter's Wing Leading Edge

An investigation was initiated to determine the cause of coating spallation occurring on the Shuttle Orbiter's wing leading edge panels in the slip-side joggle region. The coating spallation events were observed, post flight, on differing panels on different missions. As part of the investigation, the high re-entry heating occurring on the joggles was considered here as a possible cause. Thus, a thermostructural evaluation was conducted to determine the detailed state-of-stress in the joggle region during re-entry and the feasibility of a laboratory test on a local joggle specimen to replicate this state-of-stress. A detailed three-dimensional finite element model of a panel slip-side joggle region was developed. Parametric and sensitivity studies revealed significant stresses occur in the joggle during peak heating. A critical interlaminar normal stress concentration was predicted in the substrate at the coating interface and was confined to the curved joggle region. Specifically, the high interlaminar normal stress is identified to be the cause for the occurrence of failure in the form of local subsurface material separation occurring in the slip-side joggle. The predicted critical stresses are coincident with material separations that had been observed with microscopy in joggle specimens obtained from flight panels.

Walker, Sandra P.↗
DOE OSTI2020

Enzyme scaffolds and methods of use

Polypeptide scaffolds comprising enzymatic proteins are provided. The enzymatic polypeptide scaffolds comprise heterologous enzymes to form a heterologous metabolic pathway, and can be targeted to a substrate through a surface anchoring domain. The enzymatic polypeptide scaffolds leverage the high specificity and affinity protein/protein interaction between the cohesins and dockerins of microorganismal cellulosomes to form custom enzymatic arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Opto-mechanical Analyses for Performance Optimization of Lightweight Grazing-incidence Mirrors

New technology in grazing-incidence mirror fabrication and assembly is necessary to achieve subarcsecond optics for large-area x-ray telescopes. In order to define specifications, an understanding of performance sensitivity to design parameters is crucial. MSFC is undertaking a systematic study to specify a mounting approach, mirror substrate, and testing method. Lightweight mirrors are typically flimsy and are, therefore, susceptible to significant distortion due to mounting and gravitational forces. Material properties of the mirror substrate along with its dimensions significantly affect the distortions caused by mounting and gravity. A parametric study of these properties and their relationship to mounting and testing schemes will indicate specifications for the design of the next generation of lightweight grazing-incidence mirrors. Here we report initial results of this study.

Roche, Jacqueline M.↗
DOE OSTI2026

Full-Strength Additive Manufacturing of Pure Aluminum Alloy 7075 Using Liquid Metal Jet Printing

Additive manufacturing (AM) of high-strength aluminum alloys can produce high-performance aerospace and biomedical parts with unique geometries and functions. However, many high-performance alloy systems such as AA 7075 pose challenges during AM due to thermal cycles that cause hot cracking, limiting AM to casting-friendly alloys. Stock AA 7075 alloy poses additional challenges due to the excessive growth of insoluble precipitates during casting and needs to be thermomechanically processed to obtain acceptable mechanical properties. Here, this work uses liquid metal jet printing to produce high-resolution pure AA 7075 parts at high strength (593 MPa) and ductility (10 pct), surpassing the specific strength of any type of steel. The parts are printed by depositing fine droplets on a high-temperature substrate that reduces cooling rates, preventing hot cracking. The results show that fully dense, crack-free parts can only be printed at substrate temperatures of 500 °C with a cooling rate threshold of < 2000 K/s to prevent cracking and < 500 K/s to eliminate porosity. The tensile strength, microhardness, and ductility of the parts matched or were beyond the wrought alloy specifications after heat treatment, possibly due to high solidification rates that produce finer insoluble precipitates. Our results indicate that many challenging high-performance alloy systems can now be 3D printed based on the critical thresholds for cooling rates using any AM method that can satisfy these conditions.

36 MATERIALS SCIENCE↗