SEARCH · Search NASA

Results for “Conformation”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10

All sources NASA NTRS DOE OSTI

NASA NTRS2015

Conformal Ablative Thermal Protection Systems (CA-TPS) for Venus and Saturn Backshells

The new conformal ablator C-PICA, which was developed under STMD GCD, is an optimal candidate for use on the backshells for high velocity entry vehicles at both Venus and Saturn. The material has been tested at heat fluxes up to 400 Wcm2 in shear and over 1800 Wcm2 and 1.5 atm in stagnation with good results. C-PICA has similar density to PICA, but shows half the thermal penetration and similar recession at the same conditions, allowing for a lighter weight TPS to be flown. This poster for VEXAG will show the progress made in the development of the material and why it should be considered for use.

Conformal Ablative↗

NASA NTRSDate not supplied

Conformal PICA TPS– Enabling Future Nasa Planetary Science Missions

Initial development of Conformal Phenolic Impregnated Carbon Ablator (C-PICA) ablative TPS occurred under NASA’s Hypersonics Project in the 2000’s and demonstrated very low through-the-thickness thermal conductivity compared to state-of-the-art Phenolic Impregnated Carbon Ablator (PICA). PICA, which was first demonstrated on Stardust, has some inherent limitations that C-PICA improves on, primarily strain to failure. More recently C-PICA has been further matured and a family of C-PICA materials are now ready for consideration as an enabling technology for New Frontiers and other NASA missions. C-PICA has several improvements compared to PICA including: - Higher strain to failure and lower thermal conductivity (up to 55% less than PICA depending on C-PICA variant) - CTE comparable to typical composite carrier structures and also suitable for metallic substructures given high strain to failure - Temperature independent mechanical properties - Suited for single piece (up to ~ 1.5m) or tiled configurations - Larger tiles leading to reduced integration complexity compared to tiled PICA - Reduced mass compared to PICA due to reduced thermal conductivity C-PICA has been tested at heat fluxes ranging from 250-1850 W/cm^2, and shear pressures of 200Pa at 400W/cm^2 with excellent performance. Expertise on manufacturing and integration of C-PICA reside at NASA, and NASA can transition the technology to interested parties via technology transfer.

thermal protection↗

NASA NTRSDate not supplied

Safety Benefit Analysis of Conformance Monitoring for Situation Awareness in UTM

This work presents an analytical approach to address situations in drone operations when strategic coordination alone cannot ensure safety, requiring support from the Conformance Monitoring for Situation Awareness service and potentially other deconfliction services. This study focuses on evaluating the impact of off-nominal operations on both UA-to-UA collision risk and ground injury risk. It first establishes a relationship between the likelihood of off-nominal flights and the effectiveness of strategic coordination. The analysis then derives operational conditions where strategic coordination alone is insufficient to meet target safety requirements, particularly when the likelihood of off-nominal operations exceeds a certain threshold. The results indicate that higher operational tempo or density requires a lower likelihood of offnominal operations for strategic coordination to remain effective and meet safety targets. These findings provide quantitative operational thresholds for when CMSA services are necessary. This work contributes to the safety case for both strategic coordination and CMSA services, offering analysis on when CMSA should be employed to support strategic coordination in achieving the desired safety levels. It also establishes a framework for incorporating other deconfliction services in future safety case analyses.

Strategic deconfliction↗

NASA NTRSDate not supplied

Safety Benefit Analysis of Conformance Monitoring for Situation Awareness in UTM

Strategic deconfliction↗

DOE OSTI2024

Effect of Molecular Conformation on Intermolecular Interactions and Photovoltaic Performances of Giant Molecule Acceptors

The molecular conformation of giant molecule acceptors (GMAs) plays a significant role in regulating the intermolecular interactions and their photovoltaic performances in organic solar cells (OSCs). For the linear GMA GT‐l, the stronger homo‐molecular interaction causes its aggregation being weakly affected by the donor, thus forming an ordered molecular stacking and proper phase separation in its blend film. The star‐shaped GMA GT‐s‐based blend film shows a dominant hetero‐molecular interaction that suppresses the aggregation of the donor and acceptor, resulting in smaller phase separation and more uniform vertical phase distribution. While for another star‐shaped GMA GTs, the weakest hetero‐molecular interaction causes its blend film to form larger phase separation. Therefore, the GT‐l based OSC with PM6 as donor shows the highest charge mobilities, the fastest charge transfer (CT) process, reduced energy loss and less charge recombination, contributing to a higher power conversion efficiency (PCE) of 19.03%. Comparatively, the PCEs of the OSCs based on GTs and GT‐s are 18.05% and 17.58% respectively. Notably, all the three GMAs based OSCs show excellent thermal stability and long‐term storage stability. This study provides a facile strategy by tuning the linking unit and its connecting mode for designing highly efficient and stable organic photovoltaic materials.

Chemistry↗

DOE OSTI2025

Reversible Nanocomposite by Programming Amorphous Polymer Conformation Under Nanoconfinement

Nanoconfinements are utilized to program how polymers entangle and disentangle as chain clusters to engineer pseudo bonds with tunable strength, multivalency, and directionality. When amorphous polymers are grafted to nanoparticles that are one magnitude larger in size than individual polymers, programming grafted chain conformations can "synthesize" high-performance nanocomposites with moduli of ≈25GPa and a circular lifecycle without forming and/or breaking chemical bonds. These nanocomposites dissipate external stresses by disentangling and stretching grafted polymers up to ≈98% of their contour length, analogous to that of folded proteins; use both polymers and nanoparticles for load bearing; and exhibit a non-linear dependence on composition throughout the microscopic, nanoscopic, and single-particle levels.

Chen, Tiffany↗

DOE OSTI2025

High‐Performance Rechargeable Lithium‐Chlorine Batteries with ALD Conformal Starburst Porous Graphene Positive Electrodes

Abstract Rechargeable alkali metal‐chlorine batteries are emerging as a promising high‐energy‐density solution. However, they confront significant challenges, including the primary issue stemming from the weak binding affinity of cathode materials for Cl 2 , which leads to a sluggish and inadequate supply of Cl 2 during the redox reactions, resulting in a shortened cycle life and low Coulombic efficiency (CE), particularly when operating at ultrahigh specific capacity outputs. Herein, an Al 2 O 3 ‐skinned heterostructured starburst porous graphene with conformal metasurfaces (Al 2 O 3 @rGO) is reported, crafted from a hierarchical porous starburst graphene arranged in a unique layered structure by the PTFE microemulsion skin effect, leveraging subsequent fluidized bed atomic layer deposition (FBALD) of Al 2 O 3 groups. Al 2 O 3 @rGO features superhydrophilicity, effective adsorption, fast kinetics from stable dynamic respiratory interface, high electrical and thermal conductivity anisotropy, intelligent thermal management and safe operation over a wide temperature range. Consequently, the Li‐Cl 2 @Al 2 O 3 @rGO battery achieves an ultrahigh discharge specific capacity of 5000 mAh g −1 at ≈100% CE, and even delivers stable cycling over 200 cycles with 2000 mAh g −1 at an average CE of 99.8% under low temperature environment of ‐40 °C. The scalable heterostructure approach offers a sustainable perspective of the development of functionalized metamaterials and metasurfaces for next‐generation safe and energy‐dense batteries and broader applications.

Chemistry↗

DOE OSTI2025

Conformational Change in a Four‐Tetrad DNA G‐Quadruplex upon Intercalation of a Small‐Molecule Ligand PyDH2

Abstract G‐quadruplexes (G4s) are non‐canonical DNA structures implicated in a number of biological processes. Small‐molecule ligands can alter stability and folding of G4s, which can potentially be exploited for therapeutic purposes. In this work, we investigate the interaction of telomeric DNA fragment fromTetrahymena thermophila(TET25, 5′‐G(TTGGGG) 4‐ 3′) with a G4 ligand PyDH2 belonging to the bisquinolinium family. When alone, TET25 adopts a mixture of three conformations, with the most abundant being a four‐tetrad hybrid G4. In the presence of PyDH2, surprisingly, TET25 folds into an antiparallel chair G4, with PyDH2 intercalated between G‐tetrads 2 and 3, according to our crystal structure. The structure represents the second example, and the first crystallographic evidence, of ligand intercalation into a G4. In solution, the interaction of PyDH2 and TET25 leads to a number of complexes differing by G4 topology and binding stoichiometry, strong stabilization of G4 (∆T m = 12.4 °C in the presence of one equiv. of PyDH2) and large hysteresis of ∼10 °C, suggesting that ligand binding and G4 folding processes are complex.

Chemistry↗

DOE OSTI2025

Structure–Activity Relationships of Inactive‐Conformation Binding EGFR Inhibitors: Linking the ATP and Allosteric Pockets

ABSTRACT The epidermal growth factor receptor (EGFR) tyrosine kinase is an important therapeutic target in non‐small cell lung cancer (NSCLC). However, the continual emergence of resistance mutations in the treatment of EGFR mutation‐positive NSCLC with currently approved tyrosine kinase inhibitors warrants the development of next‐generation inhibitors. Since research for ATP‐competitive EGFR tyrosine kinase inhibitors (TKIs) that extend into the back pocket has been neglected in the recent past, we survey the extent to which such binding functional groups can be incorporated into an ATP‐site imidazole scaffold. We find thatmeta‐substituted amide linkers derivatized with fluorine in 2,6‐positions and/or a hydroxy group in 3‐position of the back pocket phenyl exhibit the highest potency. Structural insights into how the back pocket groups are bound through points of connection provide new directions for the discovery and optimization of inactive conformation targeting agents in EGFR and other kinases.

Chemistry↗

DOE OSTI2024

Antigen‐binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones

It has been shown previously that a set of three modifications—termed S1, Crystal Kappa, and elbow—act synergistically to improve the crystallizability of an antigen-binding fragment (Fab) framework. Here, we prepared a phage-displayed library and performed crystallization screenings to identify additional substitutions—located near the heavy-chain elbow region—which cooperate with the S1, Crystal Kappa, and elbow modifications to increase expression and improve crystallizability of the Fab framework even further. One substitution (K141Q) supports the signature Crystal Kappa-mediated Fab:Fab crystal lattice packing interaction. Another substitution (E172G) improves the compatibility of the elbow modification with the Fab framework by alleviating some of the strain incurred by the shortened and bulkier elbow linker region. A third substitution (F170W) generates a split-Fab conformation, resulting in a powerful crystal lattice packing interaction comprising the biological interaction interface between the variable heavy and light chain domains. In sum, we have used K141Q, E172G, and F170W substitutions—which complement the S1, Crystal Kappa, and elbow modifications—to generate a set of highly crystallizable Fab frameworks that can be used as chaperones to enable facile elucidation of Fab:antigen complex structures by x-ray crystallography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Human IgE monoclonal antibodies define two unusual epitopes trapping dog allergen Can f 1 in different conformations

Abstract Molecular analysis of interactions between IgE antibody and allergen allows the structural basis of IgE recognition to be defined. Human IgE (hIgE) epitopes of respiratory lipocalin allergens, including Can f 1, remain elusive due to a lack of IgE‐allergen complexes. This study aims to map the structure of allergenic epitopes on Can f 1. The fragment antigen‐binding (Fab) regions of Can f 1 specific human IgE monoclonal antibodies (hIgE mAb) were used to determine the structures of IgE epitopes. Epitope mutants were designed to target Can f 1 epitopes. Immunoassays and a human FcεRIαtransgenic mouse model of passive anaphylaxis in vivo were used to assess the functional activity of epitope mutants. Crystal structures of natural or recombinant Can f 1 complexed with two hIgE mAb 1J11 and 12F3 Fabs, respectively, were determined. The hIgE mAb bound to two partially overlapping epitopes and recognized two different Can f 1 conformations. The hIgE mAb 12F3 showed an unusual mode of binding by protruding its heavy chain CDR3 inside the Can f 1 calyx. Epitope mutants generated based on the structural analyses displayed a 64%–89% reduction in IgE antibody binding and failed to induce passive anaphylaxis in a human FcεRIαtransgenic mouse model. In summary, the structures of Can f 1‐hIgE Fab complexes revealed two unique and partially overlapping epitopes on Can f 1. The modification of the identified IgE epitopes provides a pathway for the design of hypoallergens to treat dog allergies.

Biochemistry & Molecular Biology↗

DOE OSTI2025

Gravitational waves from supercooled phase transitions in conformal Majoron models of neutrino mass

We study supercooled first-order phase transitions above the QCD scale in a wide class of conformal Majoron-like U(1)′ models that explain the totality of active neutrino oscillation data and produce a detectable stochastic gravitational wave background (SGWB) at LIGO, LISA and ET. We place constraints on the U(1)′ breaking scale and gauge coupling using current LIGO-Virgo-Kagra data. We find that strong supercooling can be ruled out in large regions of parameter space if a SGWB is not detected by these experiments. A null signal at LIGO and ET will disfavor a type-I seesaw scale above 10 14 GeV, while a positive signal is a signature of heavy right-handed neutrinos. On the other hand, LISA will be sensitive to seesaw scales as low as a TeV, and could detect a SGWB even if the right-handed neutrinos are decoupled.

early universe particle physics↗

DOE OSTI2025

The boundary entropy function for interface conformal field theories

In 1+1 dimensional conformal field theory with a boundary the boundary contribution to the entanglement entropy is determined by a single number g effectively counting the boundary degrees of freedom. In contrast, in 1+1 dimensional interface CFTs the corresponding quantity is a non-trivial function depending on the position of the interval relative to the interface, giving access to much more detailed information about the defect. In this work we determined this g -function in several examples using holography and derive some of its basic properties from holography and strong subadditivity.

AdS-CFT correspondence↗

DOE OSTI2025

Efficient BiVO 4 /CoFeO x H y photoanodes using controlled annealing and conformal linear-sweep electrocatalyst photodeposition

Although monoclinic bismuth vanadate (BiVO 4 ) is a promising photoanode for solar water splitting, its practical use is hindered by imperfect photocurrent generation/collection, low photovoltage compared to the bandgap, and corrosion side reactions that limit durability. Here, we introduce a controlled-annealing sol–gel process for BiVO 4 thin-film photoanodes along with an optimized linear-sweep-voltammetry photodeposition of CoFeO x H y cocatalysts. The resulting BiVO 4 films annealed at 550 °C exhibited a photocurrent density of 4.1 mA/cm 2 at 1.23 V RHE under 1 sun AM 1.5G solar simulation and a low onset potential of 0.26 V RHE due to high majority carrier conductivity, a crystalline bulk with reduced defects as evidenced by x-ray photoelectron spectroscopy and photoluminescence lifetime analysis, and thus enhanced photocarrier collection. However, significant degradation in performance was found due to interfacial photocorrosion. To protect the surface and speed the oxygen-evolution reaction CoFeO x H y cocatalyst layers were deposited. By varying the number of consecutive sweeps and adjusting the applied bias range, an ultra-thin (~15 nm) CoFeO x H y cocatalyst layer was uniformly grown deposited over 30 cycles on the BiVO 4 surface. The resulting BiVO 4 /CoFeO x H y yielded 4.03 mA/cm 2 at 1.23 V RHE and onset potential of 0.24 V RHE , with stable operation (~15 % loss in photocurrent at 1.23 V RHE relative to ~60 % loss in the uncatalyzed control sample). These conformal CoFeO x H y catalytic layers function simultaneously to selectively collect photoexcited holes from the BiVO 4 , catalyze the water-oxidation reaction, and protect the BiVO 4 from photodegradation.

42 ENGINEERING↗

DOE OSTI2025

The congenital APOA1 K107del mutation disrupts the lipid-free conformation of monomeric APOA1 and impairs oligomerization

Apolipoprotein A-I (APOA1) oligomerization is thought to be essential for high-density lipoprotein (HDL) formation and metabolism. Naturally occurring mutations can disrupt normal APOA1 folding and self-association, leading to dysfunctional HDL formation and cardiovascular disease. The congenital APOA1 variant p.K131del (APOA1 K107del ) has been associated with cardiovascular pathologies such as low HDL-cholesterol levels and aortic amyloidosis, and multiple studies indicate structural changes in APOA1 conformation underlie associated dysfunction. In the current study, we confirmed that APOA1 K107del exhibits no notable defect in lipid-binding. However, using polyacrylamide gel electrophoresis (PAGE) and size-exclusion chromatography (SEC), we found that loss of lysine 107 resulted in a remarkable shift in the distribution of APOA1 oligomers with a much higher proportion of monomers present in APOA1 K107del compared to wild-type APOA1. Further investigation using quantitative cross-linking revealed a major disruption of interactions in helical regions reported to participate in domain swaps necessary for proper self-association. This structural disruption appears to impair N- and C-termini interactions and dynamics that lead to non-specific aggregation. In conclusion, these findings support the hypothesis that lysine 107 is critical for proper folding and self-association of lipid-free APOA1 which could impact HDL biogenesis.

APOA1 (p.K131del)↗

DOE OSTI2025

Conformational Control as a Design Strategy to Tune the Redox Behavior of Benzotriazole Negolytes for Nonaqueous Flow Batteries

Here, we present a molecular engineering strategy to tune the reduction potentials of benzotriazole derivatives as high-energy-density negolytes in nonaqueous redox flow batteries. Within nonaqueous electrolytes, these derivatives, notably 2-(o-tolyl)-2H-benzo[d][1,2,3]triazole (1), demonstrate a theoretical capacity of up to 93.8 Ah L⁻¹ and a reduction potential of –2.35 V vs ferrocene/ferrocenium (Fc/Fc⁺). Introducing dimethyl substitution (i.e., 2-(2,6-dimethylphenyl)-2H-benzo[d][1,2,3]triazole (4)) shifts the reduction potential even more negatively to –2.55 V vs Fc/Fc⁺. We ascribe the nonlinear effect of dimethyl substitution on reduction potential to ground-state conformational effects. Flow battery tests with negolyte 1 and ferrocene posolyte demonstrated >90% Coulombic efficiency at 6.7 mA cm⁻² with improved cyclability in the presence of lithium bis(trifluoromethylsuylfonyl)imide supporting salt.

25 ENERGY STORAGE↗

DOE OSTI2024

Correlation of Dimer-Linker-Induced Conformational Lock with Nonradiative Energy Loss in Organic Solar Cells

The efficiencies of dimer-based devices still lag those of their small molecule-based counterparts. This is primarily due to the considerable dihedrals in the dimer skeleton, which compromises the molecular packing, thus influencing the charge generation and nonradiative voltage loss (ΔV oc,nr ). Herein, we developed two dimeric acceptors with varied π-linkers to investigate the influence of linker-induced conformational lock on ΔV oc,nr . We find that the helically lapped O-shaped dimer delivers better intermolecular packing than the planar S-shaped one that incorporates a bulkier π-linker. However, its planar skeleton is instead more favorable for forming a compact and ordered stacking with the host acceptor in ternary blend. This possibly promotes exciton dissociation, thus reducing the nonradiative decay of excited states. Moreover, its longer exciton lifetime could offer additional charge-transfer channels. Finally, these contributions effectively minimize ΔV oc,nr to 0.195 eV, while delivering a high efficiency approaching 20% in the derived ternary device.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Enantioselective Hydrodifluoroalkylation of Alkenes with Conformationally Tuned Peptidyl Hydrogen Atom Transfer Catalysts

Here, we report the enantioselective hydrodifluoroalkylation of alkenes proceeding via an asymmetric hydrogen atom transfer (HAT) event catalyzed by thiol-containing tetrapeptides. Photocatalytic generation of a difluoroacetyl radical followed by carbon–carbon bond formation results in a prochiral carbon-centered radical that engages with the chiral catalyst. A trialkylamine reductant is proposed to turn over the catalyst in this net-reductive transformation. Notably, incorporating an (S)-β-methyl-substituted cysteine as the N-terminal residue improved selectivity relative to that of the native N-terminal cysteine (Cys) residue, and X-ray crystallographic analysis supports the conformational underpinning of this effect. A range of enantioenriched γ-substituted amides were synthesized in up to a 96:4 enantiomeric ratio, demonstrating the broad functional group tolerance of this method. Models accounting for asymmetric induction are proposed with supporting DFT calculations.

08 HYDROGEN↗