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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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27 records · Page 2

Precision Labeling of Native Antibodies with Lock Coupling

The formation of stable protein complexes enables much of biotechnology, but even high-affinity complexes can dissociate, limiting potential applications in biomaterials, bioimaging, nanomedicine, and other protein-based technologies. Here, in this study, we describe lock coupling, a simple and selective one-step reaction between interfacial lysine and glutamate or aspartate side chains to form stable isopeptide bonds and be used for the precise labeling of native antibodies. We identify conditions in which short-lived activated esters formed by the aqueous carbodiimide EDC promote isopeptide bond formation specifically at preassociated amine-acid pairs. Indiscriminate cross-linking is minimized by formation of protein complexes before addition of catalyst, use of acidic pH to suppress exposed Lys reactivity, and limiting the aqueous stability of activated esters. For native antibody (Ab) labeling, we show that the small IgG-binding protein GB1 can be covalently attached to the Ab Fc domain and that introduction of Cys into GB1 loops allows for facile conjugation of fluorophores, micelles, or inorganic nanocrystals for imaging in live cells and animals. By varying Cys substituents and protein stoichiometry, a defined number of probes can be uniformly attached without the need for extensive purification. In live-cell confocal microscopy, labeled GB1 serves as a stable replacement for secondary Abs, enabling simple multicolor immunostaining and imaging. Lock coupling requires just a single reagent in aqueous buffer and leverages both the innate ability of proteins to form high-affinity complexes and the widespread presence of Lys-Glu/Asp pairs at their interfaces, with the potential for precision synthesis of protein-based probes for imaging, biomaterials, biophysics, and medicine.

antibody

Active oversight and quality control in standard Bayesian optimization for autonomous experiments

The fusion of experimental automation and machine learning has catalyzed a new era in materials research, prominently featuring Gaussian Process (GP) Bayesian Optimization (BO) driven autonomous experiments. Here we introduce a Dual-GP approach that enhances traditional GPBO by adding a secondary surrogate model to dynamically constrain the experimental space based on real-time assessments of the raw experimental data. This Dual-GP approach enhances the optimization efficiency of traditional GPBO by isolating more promising space for BO sampling and more valuable experimental data for primary GP training. We also incorporate a flexible, human-in-the-loop intervention method in the Dual-GP workflow to adjust for unanticipated results. We demonstrate the effectiveness of the Dual-GP model with synthetic model data and implement this approach in autonomous pulsed laser deposition experimental data. This Dual-GP approach has broad applicability in diverse GPBO-driven experimental settings, providing a more adaptable and precise framework for refining autonomous experimentation for more efficient optimization.

36 MATERIALS SCIENCE

Mechanisms Engineering Test Loop (METL) Operations, Maintenance, and Testing - FY2025

This report documents the operations, maintenance, and improvements that were performed at the Mechanisms Engineering Test Loop (METL) and its supporting infrastructure during FY2024. The METL facility had a very successful seventh year of operations while supporting the testing of multiple test article experiments in the facility. The METL facility continued supporting the Gear Test Assembly (GTA) testing and the Thermal Hydraulic Experimental Test Article (THETA) with the full testing with both the primary and secondary systems. Work to accommodate two additional experiments, a flow sensor test article (F-STAr) gripper test and a fuel handling gripper test article (GrTA) continued as they are expected to undergo testing in METL in FY2025. In addition, a new 18” test article, the Sample Testing Basket (STB) was used a few times to provide screening tests for sodium service materials. A fifth test vessel was installed in the location of Test Vessel 6, and a wet vapor nitrogen sodium processing system was developed and initially tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Expansion of the tmRNA sequence database and new tools for search and visualization

Abstract Transfer–messenger RNA (tmRNA) contributes essential tRNA-like and mRNA-like functions during the process of trans-translation, a mechanism of quality control for the translating bacterial ribosome. Proper tmRNA identification benefits the study of trans-translation and also the study of genomic islands, which frequently use the tmRNA gene as an integration site. Automated tmRNA gene identification tools are available, but manual inspection is still important for eliminating false positives. We have increased our database of precisely mapped tmRNA sequences over 50-fold to 97 179 unique sequences. Group I introns had previously been found integrated within a single subsite within the TψC-loop; they have now been identified at four distinct subsites, suggesting multiple founding events of invasion of tmRNA genes by group I introns, all in the same vicinity. tmRNA genes were found in metagenomic archaeal genomes, perhaps a result of misbinning of bacterial sequences during genome assembly. With the expanded database, we have produced new covariance models for improved tmRNA sequence search and new secondary structure visualization tools.

59 BASIC BIOLOGICAL SCIENCES

Investigating the Vulnerabilities of the Direct Transfer Trip Scheme for Network Protector Units in the Secondary Networks of Electric Power Distribution Grids

Network protector units (NPUs) are crucial parts of the protection of secondary networks to effectively isolate faults occurring on the primary feeders. When a fault occurs on the primary feeder, there is a path of the fault current going through the service transformers that causes a negative flow of current on the NPU connected to the faulted feeder. Conventionally, NPUs rely on the direction of current with respect to the voltage to detect faults and make a correct trip decision. However, the conventional NPU logic does not allow the reverse power flow caused by distributed energy resources installed on secondary networks. The communication-assisted direct transfer trip logic for NPUs can be used to address this challenge. However, the communication-assisted scheme is exposed to some vulnerabilities arising from the disruption or corruption of the communicated data that can endanger the reliable operation of NPUs. This paper evaluates the impact of the malfunction of the communication system on the operation of communication-assisted NPU logic. To this end, the impact of packet modification and denial-of-service cyberattacks on the communication-assisted scheme are evaluated. The evaluation was performed using a hardware-in-the-loop (HIL) co-simulation testbed that includes both real-time power system and communication network digital simulators. This paper evaluates the impact of the cyberattacks for different fault scenarios and provides a list of recommendations to improve the reliability of communication-assisted NPU protection.

direct transfer trip

SPC-71145 Rev 0 MARVEL Process Heat Extraction System Conceptual Design

The Microreactor Applications Research Validation and Evaluation (MARVEL) reactor will offer experimental capabilities that are not currently available at DOE’s national laboratories. The MARVEL reactor is a microreactor which uses eutectic sodium-potassium alloy (NaK) as a primary coolant. The primary coolant is circulated through four primary loops by natural convection of the coolant. In each loop is a closed well which will accommodate an intermediate heat exchanger (IHX) for extracting heat from the loop. These wells will be referred to in this specification as the “IHX wells”. It is intended for the IHX containment to also be filled with NaK. The MARVEL design team is currently looking for alternative means of extracting heat from these wells to be utilized in downstream applications. This Heat Utilization System (HUS) will enable MARVEL operations including the ability to test, demonstrate, and address issues related to installation, startup, and operations. In addition, it will allow down-stream utilization of process heat for various uses. Depending on the methodology used, the interface between the secondary coolant and the HUS is the Process Heat Extraction System (PHES) and is the subject of this specification.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE

Ion-Specific Precipitation of Extractants Enables Rare-Earth Separation and Wastewater Remediation from Solvent Extraction of Critical Elements

The increasing demand for rare-earth elements (REEs) necessitates sustainable recovery strategies, particularly from secondary sources, such as electronic waste. Solvent extraction is the primary industrial method for REE separation; however, the unintentional dissolution of extractants into wastewater poses serious environmental risks, leading to organic contamination and process inefficiencies. Existing wastewater treatment methods struggle to remove these persistent pollutants, underscoring the need for innovative recovery approaches. Herein, we present a ligand-mediated precipitation strategy that simultaneously recovers REEs and removes dissolved extractants from solvent extraction wastewater. We show that residual extractants in the aqueous phase can selectively bind REEs, inducing their precipitation while leaving transition metals in solution. By integrating FTIR spectroscopy, EDS, XPS, EXAFS, and SAXS, we elucidate the mechanism of ion-specific precipitation and the local coordination environment of metal ions in the precipitate. Importantly, we demonstrate that the precipitated extractants can be efficiently recovered and reused, providing a closed-loop solution that enhances sustainability. Applying this method to leachates from samarium–cobalt (Sm–Co) and neodymium–iron–boron (NdFeB) mixed magnets, we achieve highly selective REE precipitation under mild conditions, demonstrating a scalable and cost-effective pathway for REE recovery, wastewater purification, and extractant recycling. In conclusion, by integrating element-specific ligand-mediated precipitation with extractant reuse, this work offers a transformative approach to REE separation that reduces the environmental impact while improving resource efficiency.

E-waste

Understanding the effect of friction stir processing on electrical steel: Microstructural changes and mechanical transformations

Raising Si beyond 3.5 wt% reduces core loss but embrittles electrical steels, constraining processing and application. Here we assess friction stir processing (FSP) as a solid‑state route to enable Fe–4.0 wt% Si with improved mechanical performance. Temperature‑controlled FSP with a PcBN tool produced a defect‑free processed zone. SEM/EBSD revealed dynamic recrystallization and grain refinement from an average 110 μm in the base material to ∼20 μm in the processed region, with ∼ 80% of grains < 40 μm and a reduction in high‑angle boundary fraction to ∼65% (vs >85% in the base). Comparative mechanical property analysis shows a moderate increase in yield strength in FSP samples relative to the base material, with a significant improvement in ductility (∼35–50%). Post‑fracture EBSD identified 60° twin boundaries in the base while sub-grain formation with elevated KAM in the FSP sample. Fractography revealed a shift from quasi‑cleavage in the Base-faceted planes with river patterns, steps, and occasional secondary cracks—to ductile micro void coalescence after FSP. Following FSP, the material retains soft‑magnetic behavior, with modest shifts in saturation magnetization consistent with grain refinement and stored strain, accompanied by a clear gain in formability. These results indicate that FSP provides a viable route to deploy higher‑Si electrical steels with concurrent gains in strength and ductility.

Electrical steel