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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Mass properties survey of solar array technologies

An overview of the technologies, electrical performance, and mass characteristics of many of the presently available and the more advanced developmental space solar array technologies is presented. Qualitative trends and quantitative mass estimates as total array output power is increased from 1 kW to 5 kW at End of Life (EOL) from a single wing are shown. The array technologies are part of a database supporting an ongoing solar power subsystem model development for top level subsystem and technology analyses. The model is used to estimate the overall electrical and thermal performance of the complete subsystem, and then calculate the mass and volume of the array, batteries, power management, and thermal control elements as an initial sizing. The array types considered here include planar rigid panel designs, flexible and rigid fold-out planar arrays, and two concentrator designs, one with one critical axis and the other with two critical axes. Solar cell technologies of Si, GaAs, and InP were included in the analyses. Comparisons were made at the array level; hinges, booms, harnesses, support structures, power transfer, and launch retention mountings were included. It is important to note that the results presented are approximations, and in some cases revised or modified performance and mass estimates of specific designs.

Kraus, Robert↗
NASA NTRS1982

Stacbeam - An efficient, low-mass, sequentially deployable structure

Design features of the stacking triangular articulated compact beam (Stacbeam) as a candidate truss structure for GEOS spacecraft solar power arrays are explored. Solar arrays of increasing size require folding, noninterfering structures, minimal thermal effects, slow and controlled deployment, and a high aspect ratio. The Stacbeam consists of a triangular batten frame perpendicular to the beam axis, three longerons attached at the corners of the batten frame and mounted parallel to the beam axis, and three diagonals to provide shear and torsional stiffness. Locking hinges are installed at the midpoint and ends of each longeron and at the midpoint and ends of each diagonal. The material is graphite/epoxy composite with a 120 GPa modulus and a 1500 kg/sq m density. Successful vertical deployment on the ground has been effected with a prototype deployer, together with horizontal cantilever in a fully deployed configuration.

Adams, L. R.↗
NASA NTRS1984

Geometric modeling of large space antenna deployment

A dynamic visualization of large antenna deployment was created to be used as a precursor to further analysis of the structure as it is being deployed. The configuration chosen for this investigation was a box-truss structure consisting of a large reflector 60 meters wide by 120 meters long with a 120-meter mast. The entire space structure is folded and compressed into a container 17.8 meters long by 3.75 meters in diameter for transportation to orbit by the Space Transportation System (STS). A geometric model of this structure was created using an interactive solid modeling package. The building blocks of the structure are boxes and cylinders which are put together to form elements connected by joints and hinges. The elements, joints, and hinges make up the box-truss structure. The geometric model was then passed to the MOVIE.BYU software package. The "utility" module of this program was used to manipulate the elements of the structure to represent 13 different stages of deployment. The "animate" command was then used to create a smooth sequence between stages. Each step in the sequence was recorded on magnetic tape and a short movie was produced.

Nazemetz, J.↗
DOE OSTI2023

Computational remodeling of an enzyme conformational landscape for altered substrate selectivity

Structural plasticity of enzymes dictates their function. Yet, our ability to rationally remodel enzyme conformational landscapes to tailor catalytic properties remains limited. Here, we report a computational procedure for tuning conformational landscapes that is based on multistate design of hinge-mediated domain motions. Using this method, we redesign the conformational landscape of a natural aminotransferase to preferentially stabilize a less populated but reactive conformation and thereby increase catalytic efficiency with a non-native substrate, resulting in altered substrate selectivity. Steady-state kinetics of designed variants reveals activity increases with the non-native substrate of approximately 100-fold and selectivity switches of up to 1900-fold. Structural analyses by room-temperature X-ray crystallography and multitemperature nuclear magnetic resonance spectroscopy confirm that conformational equilibria favor the target conformation. Our computational approach opens the door to targeted alterations of conformational states and equilibria, which should facilitate the design of biocatalysts with customized activity and selectivity.

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

A ubiquitin-like domain is required for stabilizing the N-terminal ATPase module of human SMCHD1

Variants in the gene SMCHD1, which encodes an epigenetic repressor, have been linked to both congenital arhinia and a late-onset form of muscular dystrophy called facioscapulohumeral muscular dystrophy type 2 (FSHD2). This suggests that SMCHD1 has a diversity of functions in both developmental time and space. The C-terminal end of SMCHD1 contains an SMC-hinge domain which mediates homodimerization and chromatin association, whereas the molecular architecture of the N-terminal region, which harbors the GHKL-ATPase domain, is not well understood. We present the crystal structure of the human SMCHD1 N-terminal ATPase module bound to ATP as a functional dimer. The dimer is stabilized by a novel N-terminal ubiquitin-like fold and by a downstream transducer domain. While disease variants map to what appear to be critical interdomain/intermolecular interfaces, only the FSHD2-specific mutant constructs we tested consistently abolish ATPase activity and/or dimerization. These data suggest that the full functional profile of SMCHD1 has yet to be determined.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Increased Quantum Dot Loading by pH Control Reduces Interfacial Recombination in Quantum-Dot-Sensitized Solar Cells

The power conversion efficiency of quantum-dot-sensitized solar cells (QDSSCs) hinges on interfacial charge transfer. Increasing quantum dot (QD) loading on the TiO 2 anode has been proposed as a means to block recombination of electrons in the TiO 2 to the hole transport material; however, it is not known whether a corresponding increase in QD-mediated recombination processes might lead to an overall higher rate of recombination. In this work, a 3-fold increase in PbS QD loading was achieved by the addition of an aqueous base to negatively charge the TiO 2 surface during Pb cation deposition. Increased QD loading improved QDSSC device efficiencies through both increased light absorption and an overall reduction in recombination. Unexpectedly, we also found increased QD size had the detrimental effect of increasing recombination. Kinetic modeling of the effect of QD size on interfacial charge transfer processes provided qualitative agreement with the observed variation in recombination lifetimes. These results demonstrate a robust method of improving QD loading, identify the specific mechanisms by which increased QD deposition impacts device performance, and provide a framework for future efforts optimizing the device architecture of QDSSCs.

14 SOLAR ENERGY↗
NASA NTRS1991

Synchronously deployable double fold beam and planar truss structure

A deployable structure that synchronously deploys in both length and width is disclosed which is suitable for use as a structural component for orbiting space stations or large satellites. The structure is designed with maximum packing efficiency so that large structures may be collapsed and transported in the cargo bay of the Space Shuttle. The synchronous deployment feature allows the structure to be easily deployed in space by two astronauts, without a complex deployment mechanism. The structure is made up of interconnected structural units, each generally in the shape of a parallelepiped. The structural units are constructed of structural members connected with hinged and fixed connections at connection nodes in each corner of the parallelepiped. Diagonal members along each face of the parallelepiped provide structural rigidity and are equipped with mid-length, self-locking hinges to allow the structure to collapse. The structure is designed so that all hinged connections may be made with simple clevis-type hinges requiring only a single degree of freedom, and each hinge pin is located along the centerline of its structural member for increased strength and stiffness.

Rhodes, Marvin D.↗
DOE OSTI2016

Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics

We report structural analysis of HIV protease variant PR S17 which was rationally selected by machine learning to represent wide classes of highly drug-resistant variants. Crystal structures were solved of PR S17 in the inhibitor-free form and in complex with antiviral inhibitor, darunavir. Despite its 17 mutations, PR S17 has only one mutation (V82S) in the inhibitor/substrate binding cavity, yet exhibits high resistance to all clinical inhibitors. PR S17 has none of the major mutations (I47V, I50V, I54ML, L76V and I84V) associated with darunavir resistance, but has 10,000-fold weaker binding affinity relative to the wild type PR. Comparable binding affinity of 8000-fold weaker than PR is seen for drug resistant mutant PR20, which bears 3 mutations associated with major resistance to darunavir (I47V, I54L and I84V). Inhibitor-free PR S17 shows an open flap conformation with a curled tip correlating with G48V flap mutation. NMR studies on inactive PR S17 D25N unambiguously confirm that the flaps adopt mainly an open conformation in solution very similar to that in the inhibitor-free crystal structure. In PR S17 , the hinge loop cluster of mutations, E35D, M36I and S37D, contributes to the altered flap dynamics by a mechanism similar to that of PR20. An additional K20R mutation anchors an altered conformation of the hinge loop. Flap mutations M46L and G48V in PR S17 /DRV complex alter the Phe53 conformation by steric hindrance between the side chains. Unlike the L10F mutation in PR20, L10I in PR S17 does not break the inter-subunit ion pair or diminish the dimer stability, consistent with a very low dimer dissociation constant comparable to that of wild type PR. Distal mutations A71V, L90M and I93L propagate alterations to the catalytic site of PR S17 . PRS17 exhibits a molecular mechanism whereby mutations act synergistically to alter the flap dynamics resulting in significantly weaker binding yet maintaining active site contacts with darunavir.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Prefabricated foldable lunar base modular systems for habitats, offices, and laboratories

The first habitat and work station on the lunar surface undoubtedly has to be prefabricated, self-erecting, and self-contained. The building structure should be folded and compacted to the minimum size and made of materials of minimum weight. It must also be designed to provide maximum possible habitable and usable space on the Moon. For this purpose the concept of multistory, foldable structures was further developed. The idea is to contain foldable structural units in a cylinder or in a capsule adapted for launching. Upon landing on the lunar surface, the cylinder of the first proposal in this paper will open in two hinge-connected halves while the capsule of the second proposal will expand horizontally and vertically in all directions. In both proposals, the foldable structural units will self-erect providing a multistory building with several room enclosures. The solar radiation protection is maintained through regolith-filled pneumatic structures as in the first proposal, or two regolith-filled expandable capsule shells as in the second one, which provide the shielding while being supported by the erected internal skeletal structure.

Hijazi, Yousef↗
DOE OSTI2021

Extremely Lightweight Optical Structures for Rapid Deployment

The structures that surround and support optical components play a key role in the performance of the overall optical system. For aerospace applications, creating an opto-mechanical structure that is athermal, lightweight, robust, and can be quickly developed from concept through to hardware is challenging. This project demonstrates a design and fabrication method for optical structures using origami-style folded, photo-etched sheetmetal pieces that are micro-welded to each other or to 3d printed metal components. Thin flexures, critical for athermal mounting of optics, can be thinner with sheetmetal than from standard machining, which leads to more compact designs and the ability to mount smaller optics. Building a structure by starting with the thinnest features, then folding that thin material to make the ''thicker'' sections is the opposite of standard machining (cutting thin features from thicker blocks). A design method is shown with mass savings of >90%, and stiffness to weight ratio improvements of 5x to 10x compared to standard methods for space systems hardware. Designs and processes for small, flexured, actively aligned systems are demonstrated as are methods for producing lightweight, structural, Miura-core sandwich panels in both flat and curved configurations. Concepts for deployable panels and component hinges are explored, as is a lens subcell with tunable piston movement with temperature change and an ultralight sunshade.

42 ENGINEERING↗
DOE OSTI2024

Construction of Reconfigurable and Polymorphic DNA Origami Assemblies with Coiled‐Coil Patches and Patterns

Abstract DNA origami nanodevices achieve programmable structure and tunable mechanical and dynamic properties by leveraging the sequence‐specific interactions of nucleic acids. Previous advances have also established DNA origami as a useful building block to make well‐defined micron‐scale structures through hierarchical self‐assembly, but these efforts have largely leveraged the structural features of DNA origami. The tunable dynamic and mechanical properties also provide an opportunity to make assemblies with adaptive structures and properties. Here the integration of DNA origami hinge nanodevices and coiled‐coil peptides are reported into hybrid reconfigurable assemblies. With the same dynamic device and peptide interaction, it is made multiple higher‐order assemblies (i.e., polymorphic assembly) by organizing clusters of peptides into patches or arranging single peptides into patterns on the surfaces of DNA origami to control the relative orientation of devices. The coiled‐coil interactions are used to construct circular and linear assemblies whose structure and mechanical properties can be modulated with DNA‐based reconfiguration. Reconfiguration of linear assemblies leads to micron scale motions and ≈2.5‐10‐fold increase in bending stiffness. The results provide a foundation for stimulus‐responsive hybrid assemblies that can adapt their structure and properties in response to nucleic acid, peptide, protein, or other triggers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Molecular Coatings Improve the Selectivity and Durability of CO 2 Reduction Chalcogenide Photocathodes

The quest for solar-driven conversion of carbon dioxide to chemicals and fuels hinges upon the identification of an efficient, durable, and selective photocathode. Chalcogenide p-type semiconductors exemplified by chalcopyrite Cu(In,Ga)Se 2 (CIGS) have been effectively deployed as photocathodes. However, selectivity toward CO 2 reduction and durability of the commonly used CdS adlayer remain primary challenges. Here, we demonstrate that for the wide band gap CuGa 3 Se 5 chalcopyrite absorber these challenges are well addressed by an organic coating generated in situ from an N,N'-(1,4-phenylene)bispyridinium ditriflate salt in the electrolyte. The molecular additive provides a 30-fold increase in selectivity toward CO2R products compared to the unmodified system and lowers Cd corrosion at least 10-fold. This dual functionality highlights the promise of hybrid solid-state-molecular photocathodes for enabling durable and efficient solar fuel systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structure of FcγRI in complex with Fc reveals the importance of glycan recognition for high-affinity IgG binding

Fc gamma receptor I (FcγRI) contributes to protective immunity against bacterial infections, but exacerbates certain autoimmune diseases. The sole high-affinity IgG receptor, FcγRI plays a significant role in immunotherapy. To elucidate the molecular mechanism of its high-affinity IgG binding, we determined the crystal structure of the extracellular domains of human FcγRI in complex with the Fc domain of human IgG 1 . FcγRI binds to the Fc in a similar mode as the low-affinity FcγRII and FcγRIII receptors. In addition to many conserved contacts, FcγRI forms additional hydrogen bonds and salt bridges with the lower hinge region of Fc. Unique to the high-affinity receptor-Fc complex, however, is the conformation of the receptor D2 domain FG loop, which enables a charged KHR motif to interact with proximal carbohydrate units of the Fc glycans. Both the length and the charge of the FcγRI FG loop are well conserved among mammalian species. Ala and Glu mutations of the FG loop KHR residues showed significant contributions of His-174 and Arg-175 to antibody binding, and the loss of the FG loop–glycan interaction resulted in an ~20- to 30-fold decrease in FcγRI affinity to all three subclasses of IgGs. Furthermore, deglycosylation of IgG 1 resulted in a 40-fold loss in FcγRI binding, demonstrating involvement of the receptor FG loop in glycan recognition. Here, these results highlight a unique glycan recognition in FcγRI function and open potential therapeutic avenues based on antibody glycan engineering or small molecular glycan mimics to target FcγRI for certain autoimmune diseases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Dynamical Signatures of Thermotoga maritima Maltose-Binding Proteins Affected by Ligand Binding

Functional segregation among protein isoforms depends on the interplay of their overall structures and the molecular dynamics of these structures. Thermotoga maritima maltose-binding protein (tmMBP) isoforms show size-dependent differential binding of maltose and malto-oligomers while maintaining remarkable fold conservation. This differential behavior needs detailed characterization in native-like aqueous conditions to understand the effects of protein dynamics on ligand binding and recognition. Small-angle neutron scattering (SANS), neutron spin echo (NSE) spectroscopy, and dynamic light scattering (DLS) were used in conjunction with previously published computational molecular dynamics (MD) simulations to understand the dynamic behavior of tmMBPs experimentally. SANS provided information on the overall structure of the molecules, while NSE was used to determine the dynamics in the nanosecond time scale. Both tmMBP2 and tmMBP3 have a bidomain architecture linked with a flexible hinge, with the binding pocket sitting in the cleft between the two domains. tmMBP2 and tmMBP3 showed different solution dynamics, with the translational and rotational components dominating the dynamics of both systems, resulting in a clear differentiation of their diffusion pattern. A faster dynamics component was also observed and was attributed to segmental dynamics. Differences observed between the ligand-free (apo) and ligand-bound (holo) states of the two proteins are attributed to conformational entropy. Our results highlight the intricacies of how structure and dynamics can together shape binding to a repertoire of substrates in structurally similar proteins.

Diffusion↗
NASA NTRS1986

Basic studies on delta wing flow modifications by means of apex fences

The effectiveness of apex fences on a 60-deg delta wing at low speeds was experimentally investigated. Resembling highly swept spoilers in appearance, the fences are designed to fold out of the wing apex region upper surface near the leading edges, where they generate a powerful vortex pair. The intense suction of the fence vortices augments lift in the apex region, the resulting positive pitching moment being utilized to trim trailing edge flaps for lift augmentation during approach and landing at relatively low angles of attack. The fences reduce the apex lift at high angles of attack, leading to a desirable nose-down moment. The above projected functions of the apex fence device were validated and quantified through low speed tunnel tests, comprising upper surface pressure surveys on a semispan model and balance measurements on a geometrically similar fully span wing/body configuration. Fence parameters such as area, shape, hinge position and deflection angle were investigated. Typical results are presented indicating the apex fence potential in controlling the longitudinal characteristics of a tail-less delta.

Hoffler, K. D.↗
DOE OSTI2013

Structural insights into lipid-dependent reversible dimerization of human GLTP

It is shown that dimerization is promoted by glycolipid binding to human GLTP. The importance of dimer flexibility in wild-type protein is manifested by point mutation that ‘locks’ the dimer while diversifying ligand/protein adaptations. Human glycolipid transfer protein (hsGLTP) forms the prototypical GLTP fold and is characterized by a broad transfer selectivity for glycosphingolipids (GSLs). The GLTP mutation D48V near the ‘portal entrance’ of the glycolipid binding site has recently been shown to enhance selectivity for sulfatides (SFs) containing a long acyl chain. Here, nine novel crystal structures of hsGLTP and the SF-selective mutant complexed with short-acyl-chain monoSF and diSF in different crystal forms are reported in order to elucidate the potential functional roles of lipid-mediated homodimerization. In all crystal forms, the hsGLTP–SF complexes displayed homodimeric structures supported by similarly organized intermolecular interactions. The dimerization interface always involved the lipid sphingosine chain, the protein C-terminus (C-end) and α-helices 6 and 2, but the D48V mutant displayed a ‘locked’ dimer conformation compared with the hinge-like flexibility of wild-type dimers. Differences in contact angles, areas and residues at the dimer interfaces in the ‘flexible’ and ‘locked’ dimers revealed a potentially important role of the dimeric structure in the C-end conformation of hsGLTP and in the precise positioning of the key residue of the glycolipid recognition centre, His140. ΔY207 and ΔC-end deletion mutants, in which the C-end is shifted or truncated, showed an almost complete loss of transfer activity. The new structural insights suggest that ligand-dependent reversible dimerization plays a role in the function of human GLTP.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Mechanistic Insights Revealed by YbtPQ in the Occluded State

Recently, several ATP-binding cassette (ABC) importers have been found to adopt the typical fold of type IV ABC exporters. Presumably, these importers would function under the transport scheme of “alternating access” like those exporters, cycling through inward-open, occluded, and outward-open conformations. Understanding how the exporter-like importers move substrates in the opposite direction requires structural studies on all the major conformations. To shed light on this, here we report the structure of yersiniabactin importer YbtPQ from uropathogenic Escherichia coli in the occluded conformation trapped by ADP-vanadate (ADP-Vi) at a 3.1 Å resolution determined by cryo-electron microscopy. The structure shows unusual local rearrangements in multiple helices and loops in its transmembrane domains (TMDs). In addition, the dimerization of the nucleotide-binding domains (NBDs) promoted by the vanadate trapping is highlighted by the “screwdriver” action at one of the two hinge points. These structural observations are rare and thus provide valuable information to understand the structural plasticity of the exporter-like ABC importers.

59 BASIC BIOLOGICAL SCIENCES↗