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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 109 records · Page 6

Effect of Antagonistic Binder–Catalyst Interactions on Catalytic Activity in Lithium–Sulfur Batteries

Lithium-sulfur (Li-S) batteries are a promising next-generation energy storage solution, as they can reduce reliance on critical transition metals while offering high energy densities. However, their deployment is hindered by low sulfur utilization and the formation/diffusion of lithium polysulfides (LiPSs). While transition-metal catalysts and polymeric binders have been independently developed to enhance redox kinetics and LiPS adsorption, their mutual compatibility has remained largely unexplored. We show here that binder-catalyst interactions can significantly impact catalytic performance. Employing TiO 2 as a generic catalyst, the electrochemical performance is shown to depend strongly on the binder environment. TiO 2 paired with lithiated polyacrylic acid (LiPAA) shows benign interactions, resulting in enhanced cycle life. In contrast, pairing TiO 2 with protonated PAA produces antagonistic interactions that hinder Li 2 S growth. A mechanistic analysis unveils that the carboxylic H atom in PAA promotes COO − coordination to Ti sites, occupying catalytic centers and suppressing LiPS adsorption, increasing charge transfer and diffusion resistances. This phenomenon is observed across multiple catalysts, indicating that COOH-functionalized binders may broadly hinder catalytic activity. Overall, this study underscores the need for holistic cathode design and identifies binder-catalyst compatibility as an important parameter for high-performance Li-S batteries.

25 ENERGY STORAGE↗

A tunable LIC1-adaptor interaction modulates dynein activity in a cargo-specific manner

Cytoplasmic dynein-1 (dynein) is the motor responsible for most retrograde transport of cargoes along microtubules in eukaryotic cells, including organelles, mRNA and viruses. Cargo selectivity and activation of processive motility depend on a group of so-called “activating adaptors” that link dynein to its general cofactor, dynactin, and cargoes. The mechanism by which these adaptors regulate dynein transport is poorly understood. Here, based on crystal structures, quantitative binding studies, and in vitro motility assays, we show that BICD2, CRACR2a, and HOOK3, representing three subfamilies of unrelated adaptors, interact with the same amphipathic helix of the dynein light intermediate chain-1 (LIC1). While the hydrophobic character of the interaction is conserved, the three adaptor subfamilies use different folds (coiled-coil, EF-hand, HOOK domain) and different surface contacts to bind the LIC1 helix with affinities ranging from 1.5 to 15.0 μM. We propose that a tunable LIC1-adaptor interaction modulates dynein’s motility in a cargo-specific manner.

59 BASIC BIOLOGICAL SCIENCES↗

Increased enhancer–promoter interactions during developmental enhancer activation in mammals

Remote enhancers are thought to interact with their target promoters via physical proximity, yet the importance of this proximity for enhancer function remains unclear. Here, in this study, we investigate the three-dimensional (3D) conformation of enhancers during mammalian development by generating high-resolution tissue-resolved contact maps for nearly a thousand enhancers with characterized in vivo activities in ten murine embryonic tissues. Sixty-one percent of developmental enhancers bypass their neighboring genes, which are often marked by promoter CpG methylation. The majority of enhancers display tissue-specific 3D conformations, and both enhancer-promoter and enhancer-enhancer interactions are moderately but consistently increased upon enhancer activation in vivo. Less than 14% of enhancer-promoter interactions form stably across tissues; however, these invariant interactions form in the absence of the enhancer and are likely mediated by adjacent CTCF binding. Our results highlight the general importance of enhancer-promoter physical proximity for developmental gene activation in mammals.

59 BASIC BIOLOGICAL SCIENCES↗

Anthropogenic sulfate-climate interactions suppress dust activity over East Asia

Observational evidences indicate a significant decline in dust storm frequencies over the East Asian arid-semiarid region during recent decades, which creates a strong contrast with a great increase in sulfate emissions over monsoonal Asia. However, the causes for decline of dust activities are still controversial. Through conducting a set of idealized sensitivity experiments of regional aerosol perturbations, here we show that anthropogenic sulfate aerosols over monsoonal Asia remarkably suppress the regional dust activities over East Asia. Southward shift of Asian westerly jet stream induced by sulfate aerosols results in increasing precipitation and weakening surface wind speeds over the arid-semiarid region, thereby suppressing local dust emission fluxes. Further, the latest Sixth Coupled Model Intercomparison Project simulations indicate that anthropogenic aerosols partly drive the recent weakening in regional dust activities and that future change of regional dust activities will likely depend on emissions scenarios of Asian anthropogenic aerosols and greenhouse gases.

54 ENVIRONMENTAL SCIENCES↗

Autonomous thermal tracking reveals spatiotemporal patterns of seabird activity relevant to interactions with floating offshore wind facilities

Planning is underway for placement of infrastructure needed to begin offshore wind (OSW) energy generation along the West Coast of the United States and elsewhere in the Pacific Ocean. In contrast to the primarily nearshore windfarms currently in the North Atlantic, the seabird communities inhabiting Pacific Wind Energy Areas (WEAs) include significant populations of species that fly by dynamic soaring, a behavior dependent on wind and in which flight height increases steeply with wind speed. Therefore, a more precise and detailed assessment of their 3D airspace use is needed to better understand the potential collision risks that OSW turbines may present to these seabirds. Toward this end, a novel technology called the ThermalTracker-3D (TT3D), which uses thermal imaging and stereo vision, was developed to render high-resolution (on average within ±5 m) flight tracks and related behavior of seabirds. The technology was developed and deployed on a wind-profiling LiDAR buoy in the Humboldt WEA, located 34 to 57 km off California’s coast. During the at-sea deployment between 24 May and 13 August 2021, the TT3D successfully tracked birds moving between 10 and 500 m from the device, around the clock, and in all weather conditions; a total of 1407 detections and their corresponding 3D flight trajectories were recorded. Mean altitudes of detections ranged 6-295 m above sea level (asl). Considering the degree of overlap with anticipated rotor swept zones (RSZ), which extend 25-260 m asl, 79% of detected birds (per m 3 of airspace) moved below the RSZ, 21% moved at heights overlapping the RSZ, and another 0.04% occurred at heights exceeding the RSZ. The high-resolution tracks provided valuable insight into seabird space use, especially at heights that make them vulnerable to collision during various environmental conditions (e.g., darkness, strong winds). Observations made by the TT3D will be useful in filling critical knowledge gaps related to estimating collision and avoidance between seabirds and OSW facilities in the Pacific and elsewhere. Future research will focus on enhancing the TT3D’s identification capabilities to the lowest taxon through validation studies and artificial intelligence, further contributing to seabird conservation efforts associated with OSW.

17 WIND ENERGY↗

Interactive analysis program activity

The development of an analysis software system capable of performing interdisciplinary preliminary design analyses of large space structure configurations is discussed. Disciplines such as thermal, structures, and controls are to be integrated into a highly user oriented analysis capability. The key feature of the integrated analysis capability, a rapid and efficient system that will minimize solution turnaround time, is discussed.

Young, J. P.↗

Structural investigation of protein kinase C inhibitors

The phospholipid and Ca2+ dependent protein kinase (PKC) plays an essential role in a variety of cellular events. Inhibition of PKC was shown to arrest growth in tumor cell cultures making it a target for possible antitumor therapy. Calphostins are potent inhibitors of PKC with high affinity for the enzyme regulatory site. Structural characteristics of calphostins, which confer the inhibitory activity, are investigated by comparing their optimized structures with the existing models for PKC activation. The resulting model of inhibitory activity assumes interaction with two out of the three electrostatic interaction sites postulated for activators. The model shows two sites of hydrophobic interaction and enables the inhibitory activity of gossypol to be accounted for.

NASA Discipline Exobiology↗

Network of epistatic interactions in an enzyme active site revealed by large-scale deep mutational scanning

Cooperative interactions between amino acids are critical for protein function. A genetic reflection of cooperativity is epistasis, which is when a change in the amino acid at one position changes the sequence requirements at another position. To assess epistasis within an enzyme active site, we utilized CTX-M β-lactamase as a model system. CTX-M hydrolyzes β-lactam antibiotics to provide antibiotic resistance, allowing a simple functional selection for rapid sorting of modified enzymes. We created all pairwise mutations across 17 active site positions in the β-lactamase enzyme and quantitated the function of variants against two β-lactam antibiotics using next-generation sequencing. Context-dependent sequence requirements were determined by comparing the antibiotic resistance function of double mutations across the CTX-M active site to their predicted function based on the constituent single mutations, revealing both positive epistasis (synergistic interactions) and negative epistasis (antagonistic interactions) between amino acid substitutions. The resulting trends demonstrate that positive epistasis is present throughout the active site, that epistasis between residues is mediated through substrate interactions, and that residues more tolerant to substitutions serve as generic compensators which are responsible for many cases of positive epistasis. Additionally, we show that a key catalytic residue (Glu166) is amenable to compensatory mutations, and we characterize one such double mutant (E166Y/N170G) that acts by an altered catalytic mechanism. These findings shed light on the unique biochemical factors that drive epistasis within an enzyme active site and will inform enzyme engineering efforts by bridging the gap between amino acid sequence and catalytic function.

59 BASIC BIOLOGICAL SCIENCES↗

Graphite-Salt Interactions: Summary of FY23 Activities

This report summarizes the research activities related to graphite–molten salt interactions during FY 2023. It includes results of FLiNaK infiltration experiments under various operating conditions, such as different temperatures, pressures, and times, to understand the effect of each condition on a variety of nuclear-grade graphites. Six graphite grades with various origins and properties were selected for the intrusion experiments using molten FLiNaK. The effect of intrusion pressure, temperature, and time were evaluated by measuring weight uptake, and the extent of penetration was studied using neutron tomography (n-CT). In addition, the wetting behavior of molten FLiNaK on a graphite surface was studied by measuring the contact angle on various grades of graphite. The results obtained by n-CT and contact angle measurements will help advance the understanding of factors that control the salt penetration in graphite and their relationship with intrinsic structural properties of the various graphite grades.

36 MATERIALS SCIENCE↗

Active Plasmonics and Active Chiral Plasmonics through Orientation-Dependent Multipolar Interactions

While most active plasmonic efforts focus on responsive metamaterials to modulate optical response, we present a simple alternative based on applied orientation control that can likely be implemented for many passive plasmonic materials. Passive plasmonic motifs are simpler to prepare but cannot be altered postfabrication. Here, we show that such systems can be easily manipulated through substrate orientation control to generate both active plasmonic and active chiral plasmonic responses. Using gold nanocrescents as our model platform, we demonstrate tuning of optical extinction from -21% to +36% at oblique incidence relative to normal incidence. Variation of substrate orientation in relation to incident polarization is also demonstrated to controllably switch chiroptical handedness (e.g., Δg = ± 0.55). These active plasmonic responses arise from the multipolar character of resonant modes. In particular, we correlate magnetoelectric and dipole–quadrupole polarizabilities with different light-matter orientation-dependence in both near- and far-field localized surface plasmon activity. Additionally, the attribution of far-field optical response to higher-order multipoles highlights the sensitivity offered by these orientation-dependent characterization techniques to probe the influence of localized electromagnetic field gradients on a plasmonic response. The sensitivity afforded by orientation-dependent optical characterization is further observed by the manifestation in both plasmon and chiral plasmon responses of unpredicted structural nanocrescent variance (e.g., left- and right-tip asymmetry) not physically resolved through topographical imaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nuclear winds in active elliptical galaxies. I - Interaction

The interaction of a supersonic wind generated by an active nucleus, a nuclear wind, with the hot interstellar medium of an elliptical host galaxy is investigated. We survey the basic time and spatial scales of this interaction through a study covering the range of probable wind and galaxy parameters. The evolving wind/ISM interaction is detailed, with the conclusion that a true equilibrium state is never possible due to long cooling times. Alteration of the wind by mass loading is considered, and a relationship between nuclear winds and central stellar clusters in this context is outlined. The nuclear wind will fundamentally alter the interstellar medium of the host galaxy. Powerful radio galaxies and quasars can evacuate the entire ISM of their host galaxy. In an isolated elliptical galaxy, winds from moderately powerful radio galaxies will either be confined to within about a kpc or evacuate the entire hot ISM. Even in the relatively high pressure ISM of elliptical galaxies winds containing only 1 percent-10 percent of the radiant luminosity of the active nucleus will extend to the narrow-line region. Therefore, nuclear winds are likely to control the properties of the narrow-line emission.

Smith, Steven J.↗

Investigating the Effect of Galaxy Interactions on the Enhancement of Active Galactic Nuclei at 0.5<z<3.0

Galaxy interactions and mergers are thought to play an important role in the evolution of galaxies. Studies in the nearby universe show a higher fraction of active galactic nuclei(AGNs)in interacting and merging galaxies than in their isolated counterparts, indicating that such interactions are important contributors to black hole growth. To investigate the evolution of this role at higher redshifts, we have compiled the largest known sample of major spectroscopic galaxy pairs(2381 withΔV<5000 km s−1)at 0.5<z<3.0 from observations in the COSMOS and CANDELS surveys. We identify X-ray and IR AGNs among this kinematic pair sample, a visually identified sample of mergers and interactions, and a mass-, redshift-, and environment-matched control sample for each in order to calculate AGN fractions and the level of AGN enhancement as a function of relative velocity, redshift, and X-ray luminosity. While we see a slight increase in AGN fraction with decreasing projected separation, overall, we find no significant enhancement relative to the control sample at any separation. In the closest projected separation bin(<25 kpc,ΔV<1000 km s−1),we find enhancements of a factor of-+0.940.160.21and-+1.000.310.58for X-ray and IR-selected AGNs, respectively. While we conclude that galaxy interactions do not significantly enhance AGN activity on average over 0.5<z<3.0 at these separations, given the errors and the small sample size at the closest projected separations, our results would be consistent with the presence of low-level AGN enhancement

Ekta A. Shah↗