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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Dynamically Chiral Expanded Helicenes

Expanded helicenes are a class of chiral nanographenes with a screw-shaped skeleton and a larger diameter than their classical ortho-fused counterparts. The flexibility of this internal cavity results in helicenes that are often difficult to isolate as single enantiomers. Expanded helicenes are therefore an intriguing target for exploration of dynamic chirality, a phenomenon resulting from introduction of chiral auxiliaries to control structure in a racemic system. This contribution describes installation of chiral amine substituents into the cavity of a diformyl expanded [11]-helicene by mild, efficient, and reversible imine condensations. The resulting helicenes display strong molar circular dichroism up to |Δε| = 300 M -1 cm -1 and absorption dissymmetry factors of |g abs | = 0.010. The magnitude of circular dichroism can be varied by using different chiral amine substituents, which is correlated to the diastereomeric ratios of the helicenes. In conclusion, this is the first instance of dynamic chirality being used to observe a chiroptic response in expanded helicenes and is a significant synthetic improvement over methods which require conventional enantiomer resolution.

Rothenberger, August J. [University of California,↗
DOE OSTI2025

Unlocking expanded flagellin perception through rational receptor engineering

Abstract The surface-localized receptor kinase FLS2 detects the flg22 epitope from bacterial flagella. FLS2 is conserved across land plants, but bacterial pathogens exhibit polymorphic flg22 epitopes. Most FLS2 homologues possess narrow perception ranges, but four with expanded perception have been identified. Using diversity analyses, AlphaFold modelling and amino acid properties, key residues enabling expanded recognition were mapped to FLS2’s concave surface, interacting with the co-receptor and polymorphic flg22 residues. Synthetic biology enabled engineering of expanded recognition from QvFLS2 (Quercus variabilis) into a homologue with canonical perception. A similar approach enabled transfer ofAgrobacteriumperception from FLS2 XL (Vitis riparia) into VrFLS2. Evolutionary analyses across three plant orders showed residues under positive selection aligning with those binding the co-receptor and flg22’s C terminus, suggesting more alleles with expanded perception exist. Our experimental data enabled the identification of specific receptor amino acid properties and AlphaFold3 metrics that facilitate predicting FLS2–flg22 recognition. This study provides a framework for rational receptor engineering to enhance pathogen restriction.

Plant Sciences↗
DOE OSTI2023

Expanding-box Quasilinear Model of the Solar Wind

The expanding-box model of the solar wind has been adopted in the literature within the context of magnetohydrodynamics, hybrid, and full particle-in-cell simulations to investigate the dynamic evolution of the solar wind. The present paper extends such a method to the framework of self-consistent quasilinear kinetic theory. It is shown that the expanding-box quasilinear methodology is largely equivalent to the inhomogeneous steady-state quasilinear model discussed earlier in the literature, but a distinction regarding the description of wave dynamics between the two approaches is also found. The expanding-box quasilinear formalism is further extended to include the effects of a spiraling solar-wind magnetic field as well as collisional age effects. The present finding shows that the expanding-box quasilinear approach and the steady-state global-kinetic models may be employed interchangeably in order to address other more complex problems associated with the solar-wind dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Development of Two-Phase Dense Fluid Expander for Advanced Cryogenic Air Separation and Low-Grade Heat Recovery

Cryogenic air separation represents the state-of-the-art technology to produce oxygen to feed coal gasification units. Given the maturity of this technology, it is difficult to identify opportunities to improve process efficiency and reduce the cost of the oxygen produced. However, Air Products conducted research and a feasibility investigation into the use of a two-phase (liquid-vapor) dense fluid expander (DFE) to improve the overall efficiency of cryogenic air separation. Demonstration of this novel concept was intended to allow two important process improvements: 1) elimination of the need for the DFE discharge to be single phase 2) expansion of the operating region of expanders in ASU service. Expanding the scope of turboexpander application beyond current application limits and traditional device designs would allow an increase in power recovery, and application of refrigeration and power recovery at new locations in process cycles would also enable the implementation of new process concepts. These new process concepts include power recovery from compression waste heat and refrigeration extraction and power recovery by replacing let-down valves with two-phase DFEs. Considering the maturity of cryogenic air separation, these new process options could represent a step change in power reduction and provide significant savings in operating costs. These new concepts would be particularly well-suited to large-scale oxygen production by cryogenic air separation and would enhance the economics of producing oxygen for use in coal gasification processes. Rotoflow, an Air Products business unit, manufactures dense fluid expanders in Pennsylvania for sites around the world. This project was executed in two phases, which are illustrated in Figure 1 below. Phase 1 consisted of a feasibility investigation of multiple applications of two-phase DFEs. In Phase 2, devices were identified, designed, fabricated and tested to explore the feasibility of commercial applications of DFEs operating in two-phase service. Engineering and testing were performed by personnel in Air Products’ Rotoflow business unit, with coordination with other Air Products business units.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Expandable systems for space

Systems for insulating a space vehicle or space borne container from an external environment as well as cryogens from heat sources. Such systems also protect the vehicle from the high dynamic pressures, the high heat loads encountered in atmospheric flight, and provide storage capability that strongly limits, or effectively eliminates, cryogenic boil-off losses once in space. Such systems include an expandable structure having a plurality of contiguously adjacent expandable layers. The layers are connected by a plurality of tension connectors between successive layers. For launch and flight the layers can be restrained in a collapsed position. Whereupon exiting a free stream environment, the layers are expanded where they can lock into place or otherwise remain in an expanded state. The expansion creates separation between the layers with minimal conduction paths providing near theoretically perfect multi-layer insulation and extremely effective debris protection.

de Jong, Maxim↗
DOE OSTI2022

Processing Compressed Expanded Natural Graphite for Phase Change Material Composites

Phase change materials (PCMs) are used in various thermal energy storage applications but are limited by their low thermal conductivity. One method to increase conductivity involves impregnating organic PCMs into highly porous conductive matrix materials. Of these materials, compressed expanded natural graphite (CENG) matrices have received the most attention. Despite this attention, the effect that CENG processing has on PCM saturation and overall matrix thermal conductivity has not been fully investigated. Therefore, the effect of the heat treatment process used to expand intercalated graphite flakes is evaluated here. Higher heat treatment temperatures yielded higher saturation rates and overall saturation at similar matrix porosities. For example, increasing temperature from 300 °C to 700 °C resulted in approximately 60%-70% increase in pore saturation after 100 minutes of soaking. The exposure time to heat treatment had less of an effect on PCM saturation. The exposure time had negligible effect above 30 min and above 500 °C heating temperatures. However, because the expanded graphite was found to oxidize around 700 °C, the use of longer exposure time in manufacturing applications can be beneficial if a shortened impregnation time is needed. Heat treatment conditions did not impact thermal conductivity. The composite latent heat of fusion was also reduced approximately proportionally to the PCM mass fraction. A local maximum in axial thermal conductivity was observed at around 83% porosity, which is similar to previous studies. The observed conductivity at this maximum was a factor of 81 times greater than the conductivity of the PCM.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Expanded Analogs of Three‐Dimensional Lead‐Halide Hybrid Perovskites

Abstract Replacing the Pb−X octahedral building unit of A I PbX 3 perovskites (X=halide) with a pair of edge‐sharing Pb−X octahedra affords the expanded perovskite analogs: A II Pb 2 X 6 . We report seven members of this new family of materials. In 3D hybrid perovskites, orbitals from the organic molecules do not participate in the band edges. In contrast, the more spacious inorganic sublattice of the expanded analogs accommodates larger pyrazinium‐based cations with low‐lying π* orbitals that form the conduction band, substantially decreasing the band gap of the expanded lattice. The molecular nature of the conduction band allows us to electronically dope the materials by reducing the organic molecules. By synthesizing derivatives with A II =pyridinium and ammonium, we can isolate the contributions of the pyrazinium‐based orbitals in the band gap transition of A II Pb 2 X 6 . The organic‐molecule‐based conduction band and the inorganic‐ion‐based valence band provide an unusual electronic platform with localized states for electrons and more disperse bands for holes upon optical or thermal excitation.

Umeyama, Daiki↗
DOE OSTI2020

Expanded Analogs of Three-Dimensional Lead-Halide Hybrid Perovskites

Replacing the Pb-X octahedral building unit of A I PbX 3 perovskites (X=halide) with a pair of edge-sharing Pb-X octahedra affords the expanded perovskite analogs: A II Pb 2 X 6 . We report seven members of this new family of materials. In 3D hybrid perovskites, orbitals from the organic molecules do not participate in the band edges. In contrast, the more spacious inorganic sublattice of the expanded analogs accommodates larger pyrazinium-based cations with low-lying π* orbitals that form the conduction band, substantially decreasing the band gap of the expanded lattice. The molecular nature of the conduction band allows us to electronically dope the materials by reducing the organic molecules. By synthesizing derivatives with AII=pyridinium and ammonium, we can isolate the contributions of the pyrazinium-based orbitals in the band gap transition of A II Pb 2 X 6 . The organic-molecule-based conduction band and the inorganic-ion-based valence band provide an unusual electronic platform with localized states for electrons and more disperse bands for holes upon optical or thermal excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

From lab to table: Expanding gastronomic possibilities with fermentation using the edible fungus Neurospora intermedia

Fermentation is a powerful tool for enhancing flavor, improving sustainability, and expanding creative possibilities in the kitchen. However, most fermentations done in gastronomic contexts are restricted to a small set of readily available microbial species. Expanding beyond this limited biological diversity holds promise to unlock new gastronomic innovation. Here, we explore novel culinary applications of Neurospora intermedia, an edible fungus traditionally used in Java, Indonesia to produce the fermented food oncom. Our work demonstrates that N. intermedia can be readily used in the production of oncom-like meat alternatives with non-traditional substrates, as well as in the production of enzymes for starch-to-sugar conversion. As an example, we harness secreted N. intermedia starch-degrading enzymes to produce an amazake that has a distinct volatile aroma composition compared to traditional amazake produced with Aspergillus oryzae. In addition to providing texture and flavor, N. intermedia can be used to add an orange color to dishes due to the development of brightly colored spores and aerial mycelia. This property, along with its secreted enzymes, was utilized to create a dish for fine-dining restaurant Alchemist in Copenhagen, Denmark. Overall, the novel foods produced in this study were rated favorably in consumer trials, indicating a broad sensory appeal of N. intermedia across different culinary applications and cultural contexts. The protocols and approaches presented in this study represent a new addition to the chef's toolbox that hold promise to expand gastronomic possibilities with fermentation in restaurants and beyond.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

An expanded registry of candidate cis -regulatory elements

Mammalian genomes contain millions of regulatory elements that control the complex patterns of gene expression. Previously, the ENCODE consortium mapped biochemical signals across hundreds of cell types and tissues and integrated these data to develop a registry containing 0.9 million human and 300,000 mouse candidate cis-regulatory elements (cCREs) annotated with potential functions. Here we have expanded the registry to include 2.37 million human and 967,000 mouse cCREs, leveraging new ENCODE datasets and enhanced computational methods. This expanded registry covers hundreds of unique cell and tissue types, providing a comprehensive understanding of gene regulation. Functional characterization data from assays such as STARR-seq, massively parallel reporter assay, CRISPR perturbation and transgenic mouse assays have profiled more than 90% of human cCREs, revealing complex regulatory functions. We identified thousands of novel silencer cCREs and demonstrated their dual enhancer and silencer roles in different cellular contexts. Integrating the registry with other ENCODE annotations facilitates genetic variation interpretation and trait-associated gene identification, exemplified by the identification of KLF1 as a novel causal gene for red blood cell traits. This expanded registry is a valuable resource for studying the regulatory genome and its impact on health and disease.

Moore, Jill E. [Univ. of Massachusetts, Worchester↗
DOE OSTI2023

Plant glycosyltransferases for expanding bioactive glycoside diversity

Glycosylation is a successful strategy to alter the pharmacological properties of small molecules, and it has emerged as a unique approach to expand the chemical space of natural products that can be explored in drug discovery. Traditionally, most glycosylation events have been carried out chemically, often requiring many protection and deprotection steps to achieve a target molecule. Further, enzymatic glycosylation by glycosyltransferases could provide an alternative strategy for producing new glycosides. In particular, the glycosyltransferase family has greatly expanded in plants, representing a rich enzymatic resource to mine and expand the diversity of glycosides with novel bioactive properties. This article highlights previous and prospective uses for plant glycosyltransferases in generating bioactive glycosides and altering their pharmacological properties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Novel PBX formulations containing thermally-expandable microspheres for on-demand control of explosive behavior

In this work, we present the formulation and analysis of inert Plastic-Bonded eXplosive (PBX)-surrogates loaded with thermally expandable microspheres (TEMs). TEMs consist of a thermoplastic acrylonitrile shell (10-50 µm diameter) encapsulating an inert low boiling hydrocarbon. Upon heating, the TEMs expand as the shell softens while the hydrocarbon gasifies, increasing the internal pressure and expanding the particle by as much as 120 vol%. We hypothesize that TEM expansion within a PBX will introduce tunable changes in local density and porosity, and ultimately the shock sensitivity. This paper focuses on microstructural analysis of surrogate PBX-TEM formulations, both before and after thermally- induced TEM expansion. The formulations were analyzed by scanning electron microscopy (SEM), ultra-small angle neutron scattering (USANS), and X-ray Computed Tomography (x-ray CT) under various thermal conditions. Evidence suggests that TEM expansion within a PBX is a viable method to impart microstructural changes that are predicted to have a measurable, on-demand effect on the initiation sensitivity. Future work includes development of PBX-TEM formulations with HMX and shock initiation experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Sodium tracer measurements of an expanded dense aluminum plasma from e-beam isochoric heating

Spatially and temporally resolved visible absorption spectroscopy is performed on sodium D-lines present as surface contaminants on an expanded dense aluminum plasma plume. An 80-ns FWHM, intense, relativistic electron beam deposits 5.4 J into a 100- μ m-thick Al foil, which isochorically heats and subsequently hydrodynamically expands the material through the warm dense matter state and into a classical-like plasma state, with a coupling parameter of approximately 0.2 and a degeneracy parameter of approximately 270. The Na contamination, carried along with the expanding plume, shows saturated absorption features in the dense Al continuum for λ > 450 nm. X-ray photoelectron spectroscopy and laser-induced breakdown spectroscopy confirm Na is a surface contaminant with an atomic concentration of ~ 0.1 % when interrogating identical foil samples. Additioanlly, a spectroscopic-quality radiation transport model is used to post-process 2D hydrodynamic simulations to interpret the plasma conditions based on the measured Na 3p-3s doublet line profiles. A sodium number density of 3 × 10 15 cm -3 best matches the experimental spectra, which originate from a dense surface plasma with n e = 3.0 ± 0.8 × 10 18 cm -3 .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Properties of protein unfolded states suggest broad selection for expanded conformational ensembles

Much attention is being paid to conformational biases in the ensembles of intrinsically disordered proteins. However, it is currently unknown whether or how conformational biases within the disordered ensembles of foldable proteins affect function in vivo. Recently, we demonstrated that water can be a good solvent for unfolded polypeptide chains, even those with a hydrophobic and charged sequence composition typical of folded proteins. These results run counter to the generally accepted model that protein folding begins with hydrophobicity-driven chain collapse. Here we investigate what other features, beyond amino acid composition, govern chain collapse. We found that local clustering of hydrophobic and/or charged residues leads to significant collapse of the unfolded ensemble of pertactin, a secreted autotransporter virulence protein from Bordetella pertussis , as measured by small angle X-ray scattering (SAXS). Sequence patterns that lead to collapse also correlate with increased intermolecular polypeptide chain association and aggregation. Crucially, sequence patterns that support an expanded conformational ensemble enhance pertactin secretion to the bacterial cell surface. Similar sequence pattern features are enriched across the large and diverse family of autotransporter virulence proteins, suggesting sequence patterns that favor an expanded conformational ensemble are under selection for efficient autotransporter protein secretion, a necessary prerequisite for virulence. More broadly, we found that sequence patterns that lead to more expanded conformational ensembles are enriched across water-soluble proteins in general, suggesting protein sequences are under selection to regulate collapse and minimize protein aggregation, in addition to their roles in stabilizing folded protein structures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Impact of crowding on the diversity of expanding populations

Crowding effects critically impact the self-organization of densely packed cellular assemblies, such as biofilms, solid tumors, and developing tissues. When cells grow and divide, they push each other apart, remodeling the structure and extent of the population’s range. Recent work has shown that crowding has a strong impact on the strength of natural selection. However, the impact of crowding on neutral processes, which controls the fate of new variants as long as they are rare, remains unclear. Here, we quantify the genetic diversity of expanding microbial colonies and uncover signatures of crowding in the site frequency spectrum. By combining Luria–Delbrück fluctuation tests, lineage tracing in a novel microfluidic incubator, cell-based simulations, and theoretical modeling, we find that the majority of mutations arise behind the expanding frontier, giving rise to clones that are mechanically “pushed out” of the growing region by the proliferating cells in front. These excluded-volume interactions result in a clone-size distribution that solely depends on where the mutation first arose relative to the front and is characterized by a simple power law for low-frequency clones. Our model predicts that the distribution depends on a single parameter—the characteristic growth layer thickness—and hence allows estimation of the mutation rate in a variety of crowded cellular populations. Combined with previous studies on high-frequency mutations, our finding provides a unified picture of the genetic diversity in expanding populations over the whole frequency range and suggests a practical method to assess growth dynamics by sequencing populations across spatial scales.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Systems and methods for expanding flow in a waste heat recovery system

A waste heat recovery system includes a first heat exchanger, a second heat exchanger, and an expander. The first heat exchanger receives working fluid from a first portion of a first loop and provides the working fluid to a second portion of the first loop. The second heat exchanger receives the working fluid from a first portion of a second loop and provides the working fluid to a second portion of the second loop. The expander provides the working fluid to a first portion of a common line. The expander includes a stator. The stator includes a first inlet and a second inlet. The common line provides the working fluid to both the first loop and the second loop upstream of the first portion of the first loop and upstream of the first portion of the second loop.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Dynamics modeling of molten salt reactor with reduced and expanded representations of delayed neutron precursors

Molten salt reactors (MSRs) present unique challenges in dynamic behavior due to the mobility of their fuel. In these reactors, delayed neutron precursors (DNPs) drift with the fuel circulation through the primary loop. As a result, a fraction of DNPs decays outside the core, effectively reducing the available delayed neutron population for reactivity control. Consequently, precise modeling of the distribution and behavior of DNPs is critical for accurate reactor dynamics simulations. In this study, the System Dynamics Analysis Tool (SDAT) was used to simulate a thermal-spectrum MSR under steady-state conditions and following transients. The effects of using reduced and expanded representations of DNPs with fewer or more groups than the conventional 6-group model were investigated. Their impact on the simulated distribution of precursors in the primary loop, reactivity loss value, and reactor response to transients was analyzed. Simulation results showed that reduced models lead to the loss of the actual DNPs distribution data, resulting in less accurate estimates of reactivity loss. Reactor power predictions using these reduced models showed significant deviations compared to those using the conventional 6-group model in transient simulations. Expanded models offered a more accurate representation of the distribution of DNPs and reactivity loss estimates. Reactor power predictions using expanded models showed minimal deviation from the conventional 6-group model during the simulated transients.

analysis↗
DOE OSTI2022

Genetic Predictive Factors for Nonsusceptible Phenotypes and Multidrug Resistance in Expanded-Spectrum Cephalosporin-Resistant Uropathogenic Escherichia coli from a Multicenter Cohort: Insights into the Phenotypic and Genetic Basis of Coresistance

Antimicrobial resistance in urinary tract infections (UTIs) is a major public health concern. This study aims to characterize the phenotypic and genetic basis of multidrug resistance (MDR) among expanded-spectrum cephalosporin-resistant (ESCR) uropathogenic Escherichia coli (UPEC) causing UTIs in California patient populations. Between February and October 2019, 577 ESCR UPEC isolates were collected from patients at 6 clinical laboratory sites across California. Lineage and antibiotic resistance genes were determined by analysis of whole-genome sequence data. The lineages ST131, ST1193, ST648, and ST69 were predominant, representing 46%, 5.5%, 4.5%, and 4.5% of the collection, respectively. Overall, 527 (91%) isolates had an expanded-spectrum β-lactamase (ESBL) phenotype, with bla CTX-M-15 , bla CTX-M-27 , bla CTX-M-55 , and bla CTX-M-14 being the most prevalent ESBL genes. In the 50 non-ESBL phenotype isolates, 40 (62%) contained bla CMY-2 , which was the predominant plasmid-mediated AmpC (pAmpC) gene. Narrow-spectrum β-lactamases, bla TEM-1B and bla OXA-1 , were also found in 44.9% and 32.1% of isolates, respectively. Among ESCR UPEC isolates, isolates with an ESBL phenotype had a 1.7-times-greater likelihood of being MDR than non-ESBL phenotype isolates (P < 0.001). The cooccurrence of bla CTX-M-15 , bla OXA-1 , and aac(6')-Ib-cr within ESCR UPEC isolates was strongly correlated. Cooccurrence of bla CTX-M-15 , bla OXA-1 , and aac(6')-Ib-cr was associated with an increased risk of nonsusceptibility to piperacillin-tazobactam, cefepime, fluoroquinolones, and amikacin as well as MDR. Multivariate regression revealed the presence of bla CTX-M-55 , bla TEM-1B , and the ST131 genotype as predictors of MDR.

59 BASIC BIOLOGICAL SCIENCES↗