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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 55 records · Page 3

Anisotropic structure and optical engineering of strontium titanate and zirconia responding to sequential hydrogen and helium irradiation

Unraveling the correlation between strain engineering with anisotropic optical properties via nanoscale defects gradually evolved into a strategy for fundamental studies and technological applications, yet it remains understudied in functional complex oxides compared to metals and semiconductors. Here, the methodology of strain engineering for the determination of the lattice parameters, parallel/normal to the sample surface, in the individual layers of single-crystalline superlattices is derived, which is based on analysis of high-angle X-ray diffraction measurements in combination with diffraction reciprocal space mapping. With modeling that takes into account the effect of elastic properties, two elastically anisotropic materials, SrTiO 3 and ZrO 2 , have been compared in terms of defect-induced elastic strain caused by individual and sequential H + and He 2+ irradiation. The anisotropic lattice swelling with corresponding refractive index, and obstructive behavior of elastic strain recovery are demonstrated in SrTiO 3 , while approaching strain behaviors accompanied by isotropic refractive index distribution in both orientations are confirmed in ZrO 2 . Under sequential He 2+ /H + irradiation, pre-existing He-vacancy complexes acted as vacancy traps, preferentially capturing H + clusters to induce lattice distortion and enhance absorption. Nanohardness increments (ΔH) calculated by the DBH model matched nanoindentation results, confirming that sequential irradiation generated higher indentation yield stress than individual irradiations.

Anisotropic expansion↗

Spatiotemporal 4D Whole-cell Modeling of a Minimal Autotroph Reveals Central Carbon Metabolism Regulated Locally by Protein Megacomplexes via Post-translational Modifications under Light Disturbance

Photosynthetic microorganisms rely on multiple pathways in central carbon metabolism to adapt to fluctuating light and energy availability across diel cycles. Mechanistic insight into the regulatory dynamics of this adaptation requires integrating processes spanning disparate timescales, from rapid redox-dependent post-translational modifications (PTMs) to slower changes in protein expression and metabolic pathway usage. To address this complexity beyond genome-based inference and traditional modeling, we develop a whole-cell four-dimensional (3D + time) model of the marine cyanobacterium Prochlorococcus marinus MED4 that explicitly represents the spatial organization of enzymatic and molecular processes in central carbon metabolism under light perturbation. We employ a perturbation-based research design to experimentally generate time-series, multi-omics measurements that provide molecular descriptors and cryo-ET derived 3D segmented volumes as constraints for this dynamic 4D framework. The integration of experiments and modeling across defined light regimes enables quantitative validation of system-level responses and forecasting under distinct light disturbances. We test the hypothesis that light-dependent redox PTMs regulating the structural assembly of a protein megacomplex, the “dark complex,” modulate metabolic flux at a conserved regulatory node of the Calvin–Benson cycle (CBC) in cyanobacteria. Our model shows that subcellular spatial organization buffers rapid light-induced changes in thylakoid reaction rates, which are followed by redox-PTM-mediated sequestration or release of CBC enzymes in the dark complex, ultimately impacting carbon fixation dynamics within carboxysomes. Comparison with an equivalently parameterized well-mixed stochastic model demonstrates that post-translational regulation not only buffers transcriptional noise and diffusion-driven fluctuations but also stabilizes phenotypic outcomes, underscoring the importance of spatial heterogeneity in phenotypic robustness. This ability to probe adaptive, spatiotemporally resolved mechanisms in photosynthetic machinery and central carbon metabolism addresses a critical gap in genotype-to-phenotype inference and expands modeling and design capabilities for understudied or genetically intractable autotrophs such as P. marinus MED4.

Johnson, Connah G.↗

Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies

Lassa virus (LASV) is the etiologic agent of Lassa Fever, a hemorrhagic disease that is endemic to West Africa. During LASV infection, LASV glycoprotein (GP) engages with multiple host receptors for cell entry. Neutralizing antibodies against GP are rare and principally target quaternary epitopes displayed only on the metastable, pre-fusion conformation of GP. Currently, the structural features of the neutralizing GPC-A antibody competition group are understudied. Structures of two GPC-A antibodies presented here demonstrate that they bind the side of the pre-fusion GP trimer, bridging the GP1 and GP2 subunits. Complementary biochemical analyses indicate that antibody 25.10C, which is broadly specific, neutralizes by inhibiting binding of the endosomal receptor LAMP1 and also by blocking membrane fusion. The other GPC-A antibody, 36.1F, which is lineage-specific, prevents LAMP1 association only. These data illuminate a site of vulnerability on LASV GP and will guide efforts to elicit broadly reactive therapeutics and vaccines.

59 BASIC BIOLOGICAL SCIENCES↗

Getting back to the grass roots: harnessing specialized metabolites for improved crop stress resilience

Roots remain understudied as the site of complex and important biological interactions mediating plant productivity. In grain and bioenergy crops, grass root specialized metabolites (GRSM) are central to key interactions, yet our basic knowledge of the chemical language remains fragmentary. Continued improvements in plant genome assembly and metabolomics are enabling large-scale advances in the discovery of specialized metabolic pathways as a means of regulating root-biotic interactions. Metabolomics, transcript coexpression analyses, forward genetic studies, gene synthesis and heterologous expression assays drive efficient pathway discoveries. Functional genetic variants identified through genome wide analyses, targeted CRISPR/Cas9 approaches, and both native and non-native overexpression studies critically inform novel strategies for bioengineering metabolic pathways to improve plant traits.

59 BASIC BIOLOGICAL SCIENCES↗

X-ray fluorescence and XANES spectroscopy revealed diverse potassium chemistries and colocalization with phosphorus in the ectomycorrhizal fungus Paxillus ammoniavirescens

Ectomycorrhizal (ECM) fungi play a major role in forest ecosystems and managed tree plantations. Particularly, they facilitate mineral weathering and nutrient transfer towards colonized roots. Among nutrients provided by these fungi, potassium (K) has been understudied compared to phosphorus (P) or nitrogen (N). The ECM fungus Paxillus ammoniavirescens is a generalist species that interacts with the root of many trees and can directly transfer K to them, including loblolly pine. However, the forms of K that ECM fungi can store is still unknown. Here, we used synchrotron potassium X-ray fluorescence (XRF) and K-edge X-ray Absorption Near Edge Structure (XANES) spectroscopy on P. ammoniavirescens growing in axenic conditions to investigate the K chemistries accumulating in the center and the edge of the mycelium. We observed that various K forms accumulated in different part of the mycelium, including K-nitrate (KNO 3 ), K-C-O compounds (such as K-tartrate K 2 (C 4 H 4 O 6 ) and K-oxalate (K 2 C 2 O 4 )), K-S and K-P compounds. Saprotrophic fungi have been shown to excrete carboxylic acids, which in turn play a role in soil mineral weathering. Our finding of several K counter-ions to carboxylic acids may suggest that, besides their direct transfer to colonized roots, K ions can also be involved in the production of compounds necessary for sourcing nutrients from their surrounding environment by ECM fungi. Additionally, this work reveals that XANES spectroscopy can be used to identify the various forms of K accumulating in biological systems.

Ectomycorrhizal symbiosis↗

Incentivizing Cooperative Merging Control: Insights from Multi-Agent Deep Reinforcement Learning

Cooperative driving automation enables connected and automated vehicles (CAVs) to devise cooperative merging control, introducing great potentials to alleviate traffic congestion, reduce energy consumption, and enhance safety for highway on-ramp operations. Although numerous CAV cooperative merging algorithms have been developed to improve energy and traffic performance, the agreement-seeking among CAV users and their local benefits have been understudied. This can lead to rejections of cooperative merging plans and jeopardizing CAV performance, as a cooperation may entail certain CAVs to sacrifice their local benefits to achieve a system optimum. To address this issue, the study first leverages multi-agent deep reinforcement learning (MADRL) factoring both local reward and regional reward to demonstrate the discrepancies between CAV users’ local benefits and system optimum. Next, the existence of a correlated equilibrium is proved to characterize the convergence of MADRL training. This further facilitates the incorporation of incentives (computed based on reward discrepancies) to compensate for CAV users’ local benefits and facilitate system-optimal agreements in cooperative merging operations.

Zhou, Anye [ORNL] (ORCID:0000000301455579)↗

Using Auto-Segmentation to Reduce Contouring and Dose Inconsistency in Clinical Trials: The Simulated Impact on RTOG 0617

Contouring inconsistencies are known but understudied in clinical radiation therapy trials. We applied auto-contouring to the Radiation Therapy Oncology Group (RTOG) 0617 dose escalation trial data. We hypothesized that the trial heart doses were higher than reported due to inconsistent and insufficient heart segmentation. We tested our hypothesis by comparing doses between deep-learning (DL) segmented hearts and trial hearts.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Localized energy burden, concentrated disadvantage, and the feminization of energy poverty

Energy burden directly influences households' health and safety. Amid a growing literature on energy, poverty and gender remains relatively understudied. We evaluate socioeconomic, geographic, and health factors as multidimensions of concentrated disadvantage that magnify energy burden in the United States over time. We show that the energy burden is more pronounced in disadvantaged counties with larger elderly, impoverished, disabled people, and racialized populations where people do not have health insurance. Neighborhoods with households headed by women of color (especially Black women) are more likely to face a high energy burden, which worsened during the COVID-19 pandemic. Although energy costs are often regarded as an individual responsibility, these findings illustrate the feminization of energy poverty and indicate the need for an intersectional and interdisciplinary framework in devising energy policy directed to households with the most severe energy burden.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Decrease in multiple complement proteins associated with development of islet autoimmunity and type 1 diabetes

Type 1 diabetes (T1D) is a chronic condition caused by autoimmune destruction of the insulin-producing pancreatic ß-cells. While it is known that gene-environment interactions play a key role in triggering the autoimmune process leading to T1D, the pathogenic mechanism leading to the appearance of islet autoantibodies - biomarkers of autoimmunity – is poorly understood. Here we show that disruption of the complement system precedes the detection of islet autoantibodies and persists through diagnosis. Our results suggest that children who exhibit islet autoimmunity and progress to clinical T1D are complement deficient relative to those who do not progress within a similar timeframe. Thus, the complement pathway, an understudied mechanistic and therapeutic target in T1D, merits increased attention for use as protein biomarkers of prediction and potentially prevention of T1D.

59 BASIC BIOLOGICAL SCIENCES↗

Distinct protein architectures mediate species-specific beta-glucan binding and metabolism in the human gut microbiota

Complex glycans that evade our digestive system are major nutrients that feed the human gut microbiota (HGM). The prevalence of Bacteroidetes in the HGM of populations worldwide is engendered by the evolution of polysaccharide utilization loci (PULs), which encode concerted protein systems to utilize the myriad complex glycans in our diets. Despite their crucial roles in glycan recognition and transport, cell-surface glycan-binding proteins (SGBPs) remained understudied cogs in the PUL machinery. Here, we report the structural and biochemical characterization of a suite of SGBP-A and SGBP-B structures from three syntenic β(1,3)-glucan utilization loci (1,3GULs) from Bacteroides thetaiotaomicron (Bt), Bacteroides uniformis (Bu), and B. fluxus (Bf), which have varying specificities for distinct β-glucans. Ligand complexes provide definitive insight into β(1,3)-glucan selectivity in the HGM, including structural features enabling dual β(1,3)-glucan/mixed-linkage β(1,3)/β(1,4)-glucan-binding capability in some orthologs. The tertiary structural conservation of SusD-like SGBPs-A is juxtaposed with the diverse architectures and binding modes of the SGBPs-B. Specifically, the structures of the trimodular BtSGBP-B and BuSGBP-B revealed a tandem repeat of carbohydrate-binding module-like domains connected by long linkers. In contrast, BfSGBP-B comprises a bimodular architecture with a distinct β-barrel domain at the C terminus that bears a shallow binding canyon. The molecular insights obtained here contribute to our fundamental understanding of HGM function, which in turn may inform tailored microbial intervention therapies.

59 BASIC BIOLOGICAL SCIENCES↗

Class imbalance in out-of-distribution datasets: Improving the robustness of the TextCNN for the classification of rare cancer types

In the last decade, the widespread adoption of electronic health record documentation has created huge opportunities for information mining. Natural language processing (NLP) techniques using machine and deep learning are becoming increasingly widespread for information extraction tasks from unstructured clinical notes. Disparities in performance when deploying machine learning models in the real world have recently received considerable attention. In the clinical NLP domain, the robustness of convolutional neural networks (CNNs) for classifying cancer pathology reports under natural distribution shifts remains understudied. In this research, we aim to quantify and improve the performance of the CNN for text classification on out-of-distribution (OOD) datasets resulting from the natural evolution of clinical text in pathology reports. We identified class imbalance due to different prevalence of cancer types as one of the sources of performance drop and analyzed the impact of previous methods for addressing class imbalance when deploying models in real-world domains. Our results show that our novel class-specialized ensemble technique outperforms other methods for the classification of rare cancer types in terms of macro F1 scores. We also found that traditional ensemble methods perform better in top classes, leading to higher micro F1 scores. Based on our findings, we formulate a series of recommendations for other ML practitioners on how to build robust models with extremely imbalanced datasets in biomedical NLP applications.

60 APPLIED LIFE SCIENCES↗

Uptake and elimination of 137Cs in aquatic biota inhabiting a contaminated effluent canal

Radiocesium (137Cs) is among the most prevalent and concerning radionuclide released from anthropogenic activities due to its relatively slow decay time and high bioavailability. Numerous studies have reported activity concentrations of 137Cs in exposed biota, but few have assessed detailed toxicokinetics. The objective of our study was to quantify and compare the uptake and elimination of 137Cs in aquatic taxa from multiple classes with different ecological roles inhabiting a canal contaminated from nuclear production activities on the Savannah River Site in South Carolina, USA. We tracked accumulation and elimination of 137Cs in four understudied aquatic species: one aquatic macrophyte [American white water lily (Nymphae odorata), two benthic associated omnivorous species (American bullfrog (Lithobates catesbeianus) and red swamp crayfish (Procambarus clarkii), and one pelagic carnivorous fish (Eastern mosquitofish (Gambusia holbrooki)]. We monitored accumulation of 137Cs from initial exposure until equilibrium for biota restricted within the canal and subsequently tracked elimination of 137Cs over time by moving organisms from the canal to a nearby reference pond. Results indicated bullfrog tadpoles reached 95 % equilibrium in approximately 9 days, the fastest among the species evaluated. After bullfrog tadpoles, the next fastest time to equilibrium was achieved by red swamp crayfish (51 days) followed by mosquitofish (86 days). At equilibrium, bullfrog tadpoles were found to have similar 137Cs activity concentrations to mosquitofish (3.16 and 3.57 Bq/g, respectively), and both were significantly higher than red swamp crayfish (1.77 Bq/g). For elimination, we found biological half-lives to range between 8 and 43 days with bullfrog tadpoles eliminating 137Cs the fastest followed by water lilies, mosquitofish, and red swamp crayfish. Overall, we found the uptake and elimination of 137Cs to vary widely among our studied species, but benthic organisms are not at an increased risk to accumulate 137Cs compared to organisms in less frequent contact with the sediment.

Benthic organism Bioaccumulation Bioindicator Elim↗

Raman spectroscopic investigation of UCl 4

Uranium chloride salts are a proposed fuel source for molten salt reactors (MSRs). However, despite their relevance to nuclear energy, they remain understudied, in part because of their air and moisture sensitivity. Here, this work provides the first Raman spectra of UCl 4 from 45 to 3200 cm −1 collected with 532 and 785 nm excitation sources as well as the assignment of 10 identified peaks to their respective vibrational modes. These Raman bands are compared to those for isostructural ThCl 4 , the compositionally related UCl 3 , and the computed Raman bands for UCl 4 from local vibrational mode analysis. The observed spectrum of UCl 4 is in accord with that of ThCl 4 and the computed spectra of UCl 4 . We posit that the observed differences between the spectra of UCl 4 and UCl 3 are useful in differentiating these species for applications such as in situ monitoring of MSR operations.

Anoxic spectroscopy↗

Grid connection barriers to renewable energy deployment in the United States

Bulk-power grid connection is an emerging bottleneck to the entry of wind, solar, and storage but has been understudied due to a lack of data. We create and analyze two novel interconnection datasets with more than 38,000 project-level observations that provide new information documenting interconnection challenges in the United States. Active grid connection requests are more than double the total installed capacity of the US power plant fleet (2,600 vs. 1,280 GW). The time required to secure a connection has increased by 70% over the last decade, and withdrawal rates remain high at 80%, suggesting a constrained transmission system that jeopardizes energy transition targets. Wide distributions of interconnection costs indicate the inherent uncertainty of the interconnection process. Interconnection requests that identify large transmission upgrades tend to withdraw from the process. These findings suggest the need for interconnection reforms, tighter links between long-term transmission planning and project-level interconnection processes, and more interconnection outcome transparency.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Tapping the treasure trove of atypical phages

With advancements in genomics technologies, a vast diversity of ‘atypical’ phages, that is, with single-stranded DNA or RNA genomes, are being uncovered from different ecosystems. Though these efforts have revealed the existence and prevalence of these nonmodel phages, computational approaches often fail to associate these phages with their specific bacterial host(s), while the lack of methods to isolate these phages has limited our ability to characterize infectivity pathways and new gene function. In this review, we call for the development of generalizable experimental methods to better capture this understudied viral diversity via isolation and study them through gene-level characterization and engineering. Establishing a diverse set of new ‘atypical’ phage model systems has the potential to provide many new biotechnologies, including potential uses of these atypical phages in halting the spread of antibiotic resistance and engineering of microbial communities for beneficial outcomes.

59 BASIC BIOLOGICAL SCIENCES↗

Synchrotron small-angle X-ray scattering technique for battery electrode study

Structure dependent stability is a concern for the achievement of high energy density electrode with long cycling lifetime, especially for alloying-type and conversion-type anodes. Substantial alterations in volume upon discharge-discharge process leads to particle pulverization and continuous consumption of electrolyte. Moreover, the nucleation and growth mechanism of Li 2 O and Li 2 S, which determines the rate performance of Li-O 2 and Li-S batteries, are still understudy. Microstructure characterization techniques have been applied to disclose the structural changes of active material at different charge/discharge states. Synchrotron small-angle X-ray scattering (SAXS) attracts considerable attention because of the high flux, high time resolution and nondestructive characteristics. In addition, SAXS patterns provide statistics structural information of electrode at micrometer scale. The commonly used coin cell with punched holes simplifies the application of in situ/operando SAXS measurement. Here, this review discusses the research about the SAXS technique in the characterization of electrode in different batteries.

25 ENERGY STORAGE↗

A hybrid chemical-biological approach can upcycle mixed plastic waste with reduced cost and carbon footprint

Derived from renewable feedstocks, such as biomass, polylactic acid (PLA) is considered a more environmentally friendly plastic than conventional petroleum-based polyethylene terephthalate (PET). However, PLA must still be recycled, and its growing popularity and mixture with PET plastics at the disposal stage poses a cross-contamination threat in existing recycling facilities and results in low-value and low-quality recycled products. Hybrid upcycling has been proposed as a promising sustainable solution for mixed plastic waste, but its techno-economic and life cycle environmental performance remain understudied. We propose a hybrid upcycling approach using a biocompatible ionic liquid (IL) to first chemically depolymerize plastics and then convert the depolymerized stream via biological upgrading with no extra separation. Here we show that over 95% of mixed PET/PLA was depolymerized into the respective monomers, which then served as the sole carbon source for the growth of Pseudomonas putida, enabling the conversion of the depolymerized plastics into biodegradable polyhydroxyalkanoates (PHAs). In comparison to conventional commercial PHAs, the estimated optimal production cost and carbon footprint are reduced by 62% and 29%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗