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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Topobexin targets the Topoisomerase II ATPase domain for beta isoform-selective inhibition and anthracycline cardioprotection

Abstract Topoisomerase II alpha and beta (TOP2A and TOP2B) isoenzymes perform essential and non-redundant cellular functions. Anthracyclines induce their potent anti-cancer effects primarily via TOP2A, but at the same time they induce a dose limiting cardiotoxicity through TOP2B. Here we describe the development of theobexclass of TOP2 inhibitors that bind to a previously unidentified druggable pocket in the TOP2 ATPase domain to act as allosteric catalytic inhibitors by locking the ATPase domain conformation with the capability of isoform-selective inhibition. Through rational drug design we have developed topobexin, which interacts with residues that differ between TOP2A and TOP2B to provide inhibition that is both selective for TOP2B and superior to dexrazoxane. Topobexin is a potent protectant against chronic anthracycline cardiotoxicity in an animal model. This demonstration of TOP2 isoform-specific inhibition underscores the broader potential to improve drug specificity and minimize adverse effects in various medical treatments.

Science & Technology - Other Topics↗
DOE OSTI2020

Laser Powder Bed Fusion Additive Manufacturing In-Process Monitoring and Optimization Using Thermionic Emission Detection

In this project, the emission of electrons during laser powder bed fusion additive manufacturing was identified and investigated to resolve the underlying dynamics driven by laser-material interactions. Laser powder bed fusion involves the selective laser melting of metal powder particles layer by layer which fuse together forming a larger 3D structure. Laser-based additive manufacturing approaches such as laser powder bed fusion hold the potential to revolutionize manufacturing of complex metal components in the aerospace, medical, and automotive industries. However, the difficulty in producing defect-free components by metal 3D printing is a major hurdle for widespread commercial adoption. This project resolved important dynamics in laser powder bed fusion including the identification of plasma formation mechanisms, transitions between laser-induced melting modes and stochastic precursors to defect formation. These findings were realized through implementation of electronic sensing diagnostics into an existing testbed system and harnessing capabilities developed for the time dependent analysis of laser powder bed fusion datasets. Importantly, the results advance our understanding of laser-material interactions and reveal that detection of thermionic emission can also resolve information critical to optimization of the laser powder bed fusion fabrication process. The findings are critical for advancing our fundamental understanding of the laser powder bed fusion process and can help assure the requisite fidelity of fabricated components.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Immediate effects of acute Mars mission equivalent doses of SEP and GCR radiation on the murine gastrointestinal system-protective effects of curcumin-loaded nanolipoprotein particles (cNLPs)

Introduction: Missions beyond low Earth orbit (LEO) will expose astronauts to ionizing radiation (IR) in the form of solar energetic particles (SEP) and galactic cosmic rays (GCR) including high atomic number and energy (HZE) nuclei. The gastrointestinal (GI) system is documented to be highly radiosensitive with even relatively low dose IR exposures capable of inducing mucosal lesions and disrupting epithelial barrier function. IR is also an established risk factor for colorectal cancer (CRC) with several studies examining long-term GI effects of SEP/GCR exposure using tumor-prone APC mouse models. Studies of acute short-term effects of modeled space radiation exposures in wildtype mouse models are more limited and necessary to better define charged particle- induced GI pathologies and test novel medical countermeasures (MCMs) to promote astronaut safety. Methods: In this study, we performed ground-based studies where male and female C57BL/6J mice were exposed to γ-rays, 50 MeV protons, or 1 GeV/n Fe-56 ions at the NASA Space Radiation Laboratory (NSRL) with histology and immunohistochemistry endpoints measured in the first 24 h post-irradiation to define immediate SEP/GCR-induced GI alterations. Results: Our data show that unlike matched γ-ray controls, acute exposures to protons and iron ions disrupts intestinal function and induces mucosal lesions, vascular congestion, epithelial barrier breakdown, and marked enlargement of mucosa-associated lymphoid tissue. We also measured kinetics of DNA double-strand break (DSB) repair using gamma-H2AX- specific antibodies and apoptosis via TUNEL labeling, noting the induction and disappearance of extranuclear cytoplasmic DNA marked by gamma-H2AX only in the charged particle-irradiated samples. We show that 18 h pre-treatment with curcumin-loaded nanolipoprotein particles (cNLPs) delivered via IV injection reduces DSB-associated foci levels and apoptosis and restore crypt villi lengths. Discussion: These data improve our understanding of physiological alterations in the GI tract immediately following exposures to modeled space radiations and demonstrates effectiveness of a promising space radiation MCM.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Advancing the Frontiers of Deep Learning for Low-Dose 3D Cone-Beam CT Reconstruction

X-ray computed tomography (CT) is an important noninvasive medical imaging modality for studying the structural details of internal organs. Image reconstruction in CT is an inverse problem of recovering an object's internal structure from the absorption profile of X-ray beams (sinogram) measured using a detector. The classical variational approach for CT reconstruction minimizes an energy functional using an appropriate iterative algorithm. Motivated by the success of deep learning (DL), researchers have begun to leverage training data and enhanced computing capabilities in recent years to produce high-fidelity reconstructed images. Nonetheless, much of the academic research in DL algorithms for CT has focused primarily on the two-dimensional setting (with simplified forward operators and noise model) for proofs-of-concept, and a comprehensive benchmarking of various classical and data-driven CT reconstruction approaches has not beenundertaken. The key objective of our CT reconstruction grand challenge was to promote methodological advancements for both classical and DL-based approaches for clinical CT with a reasonably accurately simulated 3D CT forward operator and noise model. We have utilized the publicly available LIDC-IDRI dataset and simulated sinograms and FDK images corresponding to two dose levels (clinical- and low-dose, constituting two tracks of the challenge) starting from the normal-dose images as the ground truth. In this paper, we summarize the motivation, context, and results of our challenge, and highlight the future research directions in DL for clinical CT.

X-ray tomography↗
DOE OSTI2020

2020 Medical Device Sterilization Workshop: Continuing the Conversation, Summary Report

Technical advancements are making accelerator-based sources of radiation viable candidates for sterilization of medical devices. Electron beams and x-rays are becoming more cost-competitive and new facilities are being built to provide needed capacity and redundancy. As the industry becomes more receptive to these modalities, there is a need for information and data to enable prospective users to evaluate these options for their products. The workshops offered in 20191 and now in 2020 strive to foster conversation between device manufacturers, equipment and service providers on needs, capabilities, and knowledge.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Computational and Experimental Evaluation of Peroxide Oxidants for Amine-Peroxide Redox Polymerization

Amine–peroxide redox polymerization (APRP) is the prevalent method for producing radical-based polymers in the many industrial and medical applications where light or heat activation is impractical. We recently developed a detailed description of the APRP initiation process through a combined computational and experimental effort to show that APRP proceeds through SN2 attack by the amine on the peroxide, followed by the rate-determining homolysis of the resulting intermediate. Using this new mechanistic understanding, a variety of peroxides were computationally predicted to initiate APRP with fast kinetics. In particular, the rate of APRP initiation can be improved by radical and anion stabilization through increased p-electron conjugation or by increasing the electrophilicity of the peroxy bond through the addition of electron-withdrawing groups. On the other hand, the addition of electron-donating groups lowered the initiation rate. These design principles enabled the computational prediction of several new peroxides that exhibited improved initiation rates over the commonly used benzoyl peroxide. For example, the addition of nitro groups (NO2) to the para positions of benzoyl peroxide resulted in a theoretical radical generation rate of 1.9 × 10–9 s–1, which is ~150 times faster than the 1.3 × 10–11 s–1 radical generation rate observed with unsubstituted benzoyl peroxide. These accelerated kinetics enabled the development of a redox-based direct-writing process that exploited the extremely rapid reactivity of an optimized redox pair with a custom inkjet printer, capable of printing custom shapes from polymerizing resins without heat or light. Furthermore, the application of more rapid APRP kinetics could enable the acceleration of existing industrial processes, make new industrial manufacturing methods possible, and improve APRP compatibility with biomedical applications through reduced initiator concentrations that still produce rapid polymerization rates.

functional polymers↗
DOE OSTI2025

Small scale electron linear accelerators for industrial applications

Linear accelerators (linacs), producing electron or X-ray radiation in the MeV range, are critical tools for industrial irradiation, medical device sterilization, food pasteurization, non-destructive testing, security, medical, and many other applications. Many of these applications require compact and flexible radiation sources. In this paper, we present new technologies for small-scale electron linear accelerators and examples of their practical implementations. Furthermore, these developments include low energy accelerators with self-shielding options and form factors, ranging from cabinet-size to hand-portable generators; medium-energy accelerators for novel radiotherapy and security applications; and high-energy 10 MeV linacs capable of reaching 20–35 kW beam power for emerging industrial and phytosanitary applications

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Machine learning and deep learning tools for the automated capture of cancer surveillance data

The National Cancer Institute and the Department of Energy strategic partnership applies advanced computing and predictive machine learning and deep learning models to automate the capture of information from unstructured clinical text for inclusion in cancer registries. Applications include extraction of key data elements from pathology reports, determination of whether a pathology or radiology report is related to cancer, extraction of relevant biomarker information, and identification of recurrence. With the growing complexity of cancer diagnosis and treatment, capturing essential information with purely manual methods is increasingly difficult. These new methods for applying advanced computational capabilities to automate data extraction represent an opportunity to close critical information gaps and create a nimble, flexible platform on which new information sources, such as genomics, can be added. This will ultimately provide a deeper understanding of the drivers of cancer and outcomes in the population and increase the timeliness of reporting. These advances will enable better understanding of how real-world patients are treated and the outcomes associated with those treatments in the context of our complex medical and social environment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Advances in the Large Area Picosecond Photo-Detector (LAPPD TM ): 8" × 8" MCP-PMT with Capacitively Coupled Readout

Abstract We present advances made in the Large Area Picosecond Photodetector (LAPPD), an 8" × 8" microchannel plate photomultiplier tube (MCP-PMT), since pilot production was initiated at Incom, Inc. in 2018. The Gen-I LAPPD utilizes a stripline anode for direct charge readout. The novel Gen-II LAPPD employs an internal resistive thin-film which capacitively couples to a customizable external signal readout board, streamlining production and increasing customer flexibility. The Gen-II LAPPD, with an active area of 373 cm 2 , is capable of high single photoelectron (PE) gain of ∼10 7 , low dark rates (∼1 kHz/cm 2 ), single PE (SPE) timing resolution of ∼65 ps, and 𝒪(mm) position resolution. Coupled with a UV-grade fused silica window, the LAPPD features a high quantum efficiency (QE) bialkali photocathode of >30% at 365 nm with spectral response down to ∼165 nm. The LAPPD is an excellent candidate for electromagnetic calorimeter (ECAL) timing layers, photon-based neutrino detectors, high energy collider experiments, medical imaging systems, and nuclear non-proliferation applications.

Instruments & Instrumentation↗
DOE OSTI2025

Business Plan for a Domestic Supply of Superconducting Radiofrequency Cavities

Superconducting radiofrequency (SRF) cavities are critical components of modern particle accelerators. The industrialization of SRF technology in the U.S. has a long history, with several companies becoming interested in the technology in the past 30 years. However, there is currently no U.S. manufacturer with the capability to produce fully assembled, ready-to-test SRF cavities. A majority of these companies have either left the field or shut their doors. As a result, government-sponsored SRF accelerator projects in the U.S. largely rely on European vendors for the cavity supply. This presents not only a supply chain risk for scientific use cases, but also severely limits the commercialization of accelerator-based technologies. SRF accelerators have a range of strategic applications, including environmental remediation, semiconductor lithography, medical isotope production, and irradiation/sterilization. The nurturing of a domestic SRF industry is critical to maintaining U.S. economic competitiveness.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Cell-specific measurements show nitrogen fixation by particle-attached putative non-cyanobacterial diazotrophs in the North Pacific Subtropical Gyre

Abstract Biological nitrogen fixation is a major important source of nitrogen for low-nutrient surface oceanic waters. Nitrogen-fixing (diazotrophic) cyanobacteria are believed to be the primary contributors to this process, but the contribution of non-cyanobacterial diazotrophic organisms in oxygenated surface water, while hypothesized to be important, has yet to be demonstrated. In this study, we used simultaneous 15 N-dinitrogen and 13 C-bicarbonate incubations combined with nanoscale secondary ion mass spectrometry analysis to screen tens of thousands of mostly particle-associated, cell-like regions of interest collected from the North Pacific Subtropical Gyre. These dual isotope incubations allow us to distinguish between non-cyanobacterial and cyanobacterial nitrogen-fixing microorganisms and to measure putative cell-specific nitrogen fixation rates. With this approach, we detect nitrogen fixation by putative non-cyanobacterial diazotrophs in the oxygenated surface ocean, which are associated with organic-rich particles (<210 µm size fraction) at two out of seven locations sampled. When present, up to 4.1% of the analyzed particles contain at least one active putative non-cyanobacterial diazotroph. The putative non-cyanobacterial diazotroph nitrogen fixation rates (0.76 ± 1.60 fmol N cell −1 d −1 ) suggest that these organisms are capable of fixing dinitrogen in oxygenated surface water, at least when attached to particles, and may contribute to oceanic nitrogen fixation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Extracellular electron uptake by autotrophic microbes: physiological, ecological, and evolutionary implications

Abstract Microbes exchange electrons with their extracellular environment via direct or indirect means. This exchange is bidirectional and supports essential microbial oxidation–reduction processes, such as respiration and photosynthesis. The microbial capacity to use electrons from insoluble electron donors, such as redox-active minerals, poised electrodes, or even other microbial cells is called extracellular electron uptake (EEU). Autotrophs with this capability can thrive in nutrient and soluble electron donor-deficient environments. As primary producers, autotrophic microbes capable of EEU greatly impact microbial ecology and play important roles in matter and energy flow in the biosphere. In this review, we discuss EEU-driven autotrophic metabolisms, their mechanism and physiology, and highlight their ecological, evolutionary, and biotechnological implications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Macromolecular crystallography and biology at the Linac Coherent Light Source

The Linac Coherent Light Source (LCLS) has significantly impacted the field of biology by providing advanced capabilities for probing the structure and dynamics of biological molecules with high precision. The ultrashort coherent X-ray pulses from the LCLS have enabled ultrafast, time-resolved, serial femtosecond crystallography that is inaccessible at conventional synchrotron light sources. Since the facility's founding, scientists have captured detailed insights into biological processes at atomic resolution and fundamental timescales. The ability to observe these processes in real time and under conditions closely resembling their natural state is transforming our approach to studying biochemical mechanisms and developing new medical and energy applications. This work recounts some of the history of the LCLS, advances in biological research enabled by the LCLS, key biological areas that have been impacted and how the LCLS has helped to unravel complex biological phenomena in these fields.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Efficient Prompt Scintillation and Fast Neutron-Gamma Ray Discrimination Using Amorphous Blends of Difluorenylsilane Organic Glass and in-situ Polymerized Vinyltoluene

High performance radiation detection materials are an integral part of national security, medical imaging, and nuclear physics applications. Those that offer compositional and manufacturing versatility are of particular interest. In this work, we report a new family of radiological particle-discriminating scintillators containing bis(9,9-dimethyl-9H-fluoren-2- yl)diphenylsilane (compound “P2”) and in-situ polymerized vinyltoluene (PVT) that is phase stable and mechanically robust at any blend ratio. The gamma-ray light yield increases nearly linearly across the composition range, to ~16,400 photons/MeV at 75 % wt. P2. These materials are also capable of γ/n pulse shape discrimination (PSD) and between 20-50 % P2 loading are competitive with the PSD quality of commercially-available plastic scintillators. The 137 Cs scintillation rise and decay times are sensitive to P2 loading and approach the values for “pure” P2. Additionally, the radiation detection performance of P2-PVT blends can be made stable in 60°C air for at least 1.5 months with the application of a thin film of poly(vinylalcohol) to the scintillator surfaces.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Scale-up Unlearnable Examples Learning with High-performance Computing

Recent advancements in AI models, like ChatGPT, are structured to retain user interactions, which could inadvertently include sensitive healthcare data. In the healthcare field, particularly when radiologists use AI-driven diagnostic tools hosted on online platforms, there is a risk that medical imaging data may be repurposed for future AI training without explicit consent, spotlighting critical privacy and intellectual property concerns around healthcare data usage. Addressing these privacy challenges, a novel approach known as Unlearnable Examples (UEs) has been introduced, aiming to make data unlearnable to deep learning models. A prominent method within this area, called Unlearnable Clustering (UC), has shown improved UE performance with larger batch sizes but was previously limited by computational resources (e.g., a single workstation). To push the boundaries of UE performance with theoretically unlimited resources, we scaled up UC learning across various datasets using Distributed Data Parallel (DDP) training on the Summit supercomputer. Our goal was to examine UE efficacy at high-performance computing (HPC) levels to prevent unauthorized learning and enhance data security, particularly exploring the impact of batch size on UE’s unlearnability. Utilizing the robust computational capabilities of the Summit, extensive experiments were conducted on diverse datasets such as Pets, MedMNist, Flowers, and Flowers102. Our findings reveal that both overly large and overly small batch sizes can lead to performance instability and affect accuracy. However, the relationship between batch size and unlearnability varied across datasets, highlighting the necessity for tailored batch size strategies to achieve optimal data protection. The use of Summit’s high-performance GPUs, along with the efficiency of the DDP framework, facilitated rapid updates of model parameters and consistent training across nodes. Our results underscore the critical role of selecting appropriate batch sizes based on the specific characteristics of each dataset to prevent learning and ensure data security in deep learning applications. The source code is publicly available at https: // github. com/ hrlblab/ UE_ HPC .

Zhu, Yanfan [Vanderbilt University, Nashville, TN,↗
DOE OSTI2025

Analysis of biofilm assembly by large area automated AFM

Biofilms are complex microbial communities critical in medical, industrial, and environmental contexts. Understanding their assembly, structure, genetic regulation, interspecies interactions, and environmental responses is key to developing effective control and mitigation strategies. While atomic force microscopy (AFM) offers critically important high-resolution insights on structural and functional properties at the cellular and even sub-cellular level, its limited scan range and labor-intensive nature restricts the ability to link these smaller scale features to the functional macroscale organization of the films. We begin to address this limitation by introducing an automated large area AFM approach capable of capturing high-resolution images over millimeter-scale areas, aided by machine learning for seamless image stitching, cell detection, and classification. Large area AFM is shown to provide a very detailed view of spatial heterogeneity and cellular morphology during the early stages of biofilm formation which were previously obscured. Using this approach, we examined the organization of Pantoea sp. YR343 on PFOTS-treated glass surfaces. Our findings reveal a preferred cellular orientation among surface-attached cells, forming a distinctive honeycomb pattern. Detailed mapping of flagella interactions suggests that flagellar coordination plays a role in biofilm assembly beyond initial attachment. Additionally, we use large-area AFM to characterize surface modifications on silicon substrates, observing a significant reduction in bacterial density. This highlights the potential of this method for studying surface modifications to better understand and control bacterial adhesion and biofilm formation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Dose Summation Strategies for External Beam Radiation Therapy and Brachytherapy in Gynecologic Malignancy: A Review from the NRG Oncology and NCTN Medical Physics Subcommittees

Definitive, nonsurgical management of gynecologic malignancies involves external beam radiation therapy (EBRT) and/or brachytherapy (BT). Summation of the cumulative dose is critical to assess the total biologic effective dose to targets and organs at risk. Cumulative dose calculation from EBRT and BT can be performed with or without image registration (IR) and biologic dose summation. Among these dose summation strategies, linear addition of dose-volume histogram (DVH) parameters without IR is the global standard for composite dose reporting. This approach stems from an era without image guidance and simple external beam and brachytherapy treatment approaches. With technological advances, EBRT and high-dose-rate BT have evolved to allow for volume-based treatment planning and delivery. Modern conformal therapeutic radiation involves volumetric or intensity modulated EBRT, capable of simultaneously treating multiple targets at different specified dose levels. Therefore, given the complexity of modern radiation treatment, the linear addition of DVH parameters from EBRT and high-dose-rate BT is challenging to represent the combined dose distribution. Deformable image registration (DIR) between EBRT and image guided brachytherapy (IGBT) data sets may provide a more nuanced calculation of multimodal dose accumulation. However, DIR is still nascent in this regard, and needs further development for accuracy and efficiency for clinical use. Biologic dose summation can combine physical dose maps from EBRT and each IGBT fraction, thereby generating a composite DVH from the biologic effective dose. However, accurate radiobiologic parameters are tissue-dependent and not well characterized. A combination of voxel-based DIR and biologic weighted dose maps may be the best approximation of dose accumulation but remains invalidated. The purpose of this report is to review dose summation strategies for EBRT and BT, including conventional equivalent dose in 2-Gy fractions dose summation without image registration, physical dose summation using 3-dimensional rigid IR and DIR, and biologic dose summation. We also provide general clinical workflows for IGBT with a focus on cervical cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Photonuclear Physics in SCALE

Radiation shielding modeling involves a wide range of applications, such as power reactors, critical experiments, portable sources, linear accelerators, and fusion systems. Particle energy ranges vary from thermal energies to fast energy spectra. MAVRIC, as the radiation shielding sequence of the SCALE code system [1] developed and maintained by Oak Ridge National Laboratory, is capable of modeling both neutron and photon interactions in matter and is widely used by the US Nuclear Regulatory Commission, Department of Energy, the National Nuclear Security Administration, and radiation shielding practitioners all around the world. Although most applications don’t involve highly energetic photons that can cause photonuclear reactions and create coupled chains of high energy, ionized electrons and bremsstrahlung radiation within a material medium, when present, these reactions can have a significant impact upon the downstream particle fluxes from incident photons above 20 MeV. For example, linear accelerators used for medical isotope production are examples of applications in which high-energetic photons are generated and used for driving or controlling other components of a complex facility. Radiation shielding analyses of such a facility would require accounting for any and all significant sources of radiation. Unfortunately, MAVRIC included no data and methods to model either photonuclear reactions or the bremsstrahlung photons until this work, which enabled accounting for both. Photonuclear reaction cross sections were imported from the Evaluated Nuclear Data File libraries, and corresponding methods were implemented in the SCALE code system; see Section 2 for how the nuclear data are imported and used. Bremsstrahlung photons were modeled by assuming thick-target approximation whereby all generated electrons and positrons due to photon interactions are assumed to be absorbed within the same material in which they were born, yielding a quick particle transport simulation method by using fast lookup tables for generating subsequent gammas; see Section 4 for details. A suite of verification models was used to test implemented methods and associated data. Tests yielded satisfactory results for the new features. Enhancements will be released as part of the next major SCALE release (v7.0), which is anticipated to be deployed in 2025, with beta releases available in the interim.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗