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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Molecular Mechanism of Polysaccharide Acetylation by the Arabidopsis Xylan O-acetyltransferase XOAT1

Xylans are a major component of plant cell walls. O-Acetyl moieties are the dominant backbone substituents of glucuronoxylan in dicots and play a major role in the polymer-polymer interactions that are crucial for wall architecture and normal plant development. Here, we describe the biochemical, structural, and mechanistic characterization of Arabidopsis (Arabidopsis thaliana) xylan O-acetyltransferase 1 (XOAT1), a member of the plant-specific Trichome Birefringence Like (TBL) family. Detailed characterization of XOAT1-catalyzed reactions by real-time NMR confirms that it exclusively catalyzes the 2-O-acetylation of xylan, followed by nonenzymatic acetyl migration to the O-3 position, resulting in products that are monoacetylated at both O-2 and O-3 positions. In addition, we report the crystal structure of the catalytic domain of XOAT1, which adopts a unique conformation that bears some similarities to the a/ß/a topology of members of the GDSL-like lipase/acylhydrolase family. Finally, we use a combination of biochemical analyses, mutagenesis, and molecular simulations to show that XOAT1 catalyzes xylan acetylation through formation of an acyl-enzyme intermediate, Ac–Ser-216, by a double displacement bi-bi mechanism involving a Ser-His-Asp catalytic triad and unconventionally uses an Arg residue in the formation of an oxyanion hole.

acetylation↗
DOE OSTI2021

FMX – the Frontier Microfocusing Macromolecular Crystallography Beamline at the National Synchrotron Light Source II

Two new macromolecular crystallography (MX) beamlines at the National Synchrotron Light Source II, FMX and AMX, opened for general user operation in February 2017 [Schneider et al. (2013). J. Phys. Conf. Ser. 425 , 012003; Fuchs et al. (2014). J. Phys. Conf. Ser. 493 , 012021; Fuchs et al. (2016). AIP Conf. Proc. SRI2015 , 1741 , 030006]. FMX, the micro-focusing Frontier MX beamline in sector 17-ID-2 at NSLS-II, covers a 5–30 keV photon energy range and delivers a flux of 4.0 × 10 12 photons s −1 at 1 Å into a 1 µm × 1.5 µm to 10 µm × 10 µm (V × H) variable focus, expected to reach 5 × 10 12 photons s −1 at final storage-ring current. This flux density surpasses most MX beamlines by nearly two orders of magnitude. The high brightness and microbeam capability of FMX are focused on solving difficult crystallographic challenges. The beamline's flexible design supports a wide range of structure determination methods – serial crystallography on micrometre-sized crystals, raster optimization of diffraction from inhomogeneous crystals, high-resolution data collection from large-unit-cell crystals, room-temperature data collection for crystals that are difficult to freeze and for studying conformational dynamics, and fully automated data collection for sample-screening and ligand-binding studies. FMX's high dose rate reduces data collection times for applications like serial crystallography to minutes rather than hours. With associated sample lifetimes as short as a few milliseconds, new rapid sample-delivery methods have been implemented, such as an ultra-high-speed high-precision piezo scanner goniometer [Gao et al. (2018). J. Synchrotron Rad. 25 , 1362–1370], new microcrystal-optimized micromesh well sample holders [Guo et al. (2018). IUCrJ , 5 , 238–246] and highly viscous media injectors [Weierstall et al. (2014). Nat. Commun. 5 , 3309]. The new beamline pushes the frontier of synchrotron crystallography and enables users to determine structures from difficult-to-crystallize targets like membrane proteins, using previously intractable crystals of a few micrometres in size, and to obtain quality structures from irregular larger crystals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Do Research Software Engineers and Software Engineering Researchers Speak the Same Language?

Anecdotal evidence suggests that research software engineers (RSEs) and software engineering researchers (SERs) often use different terminologies for similar concepts, creating communication challenges. To better understand these divergences, we have started investigating how software engineering fundamentals from the SER community are interpreted within the RSE community, identifying aligned concepts, knowledge gaps, and areas for potential adaptation. In conclusion, our preliminary findings reveal opportunities for mutual learning and collaboration, and our systematic methodology for terminology mapping provides a foundation for a crowdsourced extension and validation in the future.

Kehrer, Timo [Univ. of Bern (Switzerland)] (ORCID:↗
DOE OSTI2024

The role of emerging scientists in restoration ecology: insights from a SER2023 conference workshop

Emerging professionals are crucial in advancing ecological restoration by connecting newcomers with established leaders and blending new ideas with traditional practices. This paper highlights the vital role emerging scientists play in restoration ecology and the Society for Ecological Restoration (SER). A survey conducted during the SER2023 conference workshop, organized by the Students and Emerging Professionals committee, showed that emerging professionals contribute significantly to every stage of scientific work, from planning to publication. However, participants emphasized the scarcity of funding opportunities for non‐senior scientists, which limits academic growth. The workshop underscored the importance of nurturing emerging professionals to develop future leaders for SER and ensure continuity. Fostering non‐hierarchical and inclusive networking is key to engaging and empowering these professionals, ultimately contributing to the long‐term success of ecological restoration efforts.

Weidlich, Emanuela W. A.↗
DOE OSTI2026

Stochastic equilibrium Raman spectroscopy (STERS)

In this manuscript, we propose a new method for cavity- and surface-enhanced Raman spectroscopy (SERS) with improved temporal resolution in the measurement of stochastic Raman spectral fluctuations. Our approach combines Fourier spectroscopy and photon correlation to decouple the integration time from the temporal resolution. Using statistical optics Monte Carlo simulations, we establish the relationship between time resolution and Raman signal strength, revealing that typical Raman spectral fluctuations, commensurate with molecular conformational dynamics, can theoretically be resolved on micro- to millisecond timescales. The method can further extract average single-molecule dynamics from small sub-ensembles, thereby potentially mitigating challenges in achieving strictly single-molecule isolation on SERS substrates.

Cobb-Bruno, Colburn [University of California, Ber↗
DOE OSTI2021

Estatuto e Regimento da Revista Verde [Portuguese (Brazil)]

Esse documento regulamenta o Estatuto e o Regimento Interno da Revista Verde, fundada por iniciativa do Programa Escola Verde e do Grupo de Pesquisa em Educação Ambiental Interdisciplinar, os quais estão vinculados à Universidade Federal do Vale do São Francisco (UNIVASF), Universidade de Pernambuco (UPE), Universidade do Estado da Bahia (UNEB), Faculdade de Petrolina (FACAPE) e Instituto Federal do Sertão Pernambucano (IFSertãoPE). A Revista Verde foi criada em Outubro de 2021, com o objetivo de ser uma publicação científica internacional, editada pelo Programa Escola Verde e o Grupo de Pesquisa em Educação Ambiental Interdisciplinar, para contribuir com a divulgação das novas discussões acadêmicas e científicas, resultadas de atividades de extensão e de pesquisas relacionadas a temas socioambientais e da sustentabilidade ambiental. O foco temático da revista são as problemáticas socioambientais, assim como os grandes debates acadêmicos técnicos e políticos em torno desses temas. As abordagens da revista são plurais, interdisciplinares ou específicas de uma área, desde que sobre dimensões essenciais da sustentabilidade, relativas ao meio ambiente e que estimulem o pensamento interdisciplinar. Nessa perspectiva, a revista pretende contribuir no processo de fortalecimento de um espaço de diálogo acadêmico, político e de intercâmbio de ideias e conhecimentos que permita acompanhar as pesquisas de ponta, colaborando com a sistematização e indexação de conhecimentos que podem ser fundamentais para a elaboração de políticas públicas a favor da sustentabilidade no Brasil e no mundo. A meta é constituir um periódico científico de impacto e excelência acadêmica e relevância social, reconhecida pelos pares, no Brasil e internacionalmente.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Compact Hydrogen Generator

GTI Energy (GTI) is developing a One-Step Hydrogen Generation through Sorption Enhanced Reforming (SER) process that provides significant improvements in energy productivity (18% efficiency improvement), environmental performance (90% CO 2 capture and up to 98%), product yield (30% reduction in natural gas consumption), and economic benefit (reduce Levelized Cost of Hydrogen by 28%) as compared to the Steam Methane Reforming process. A 20,000 Standard Cubic Feet per Day pilot plant (or Feasibility Demonstration Unit, FDU) located at the Energy and Environmental Research Center (EERC) was moved to GTI’s Des Plaines, IL facility and reconfigured to utilize an atmospheric calciner which enables CO 2 capture as a high purity product. Between operations at EERC and GTI’s facility, the pilot plant has demonstrated over 110 hours of sorbent enhanced hydrogen production at 80% or higher purity. The primary objective of this project is to advance the development of GTI’s Sorption Enhanced Reforming (SER) hydrogen production technology, known as the Compact Hydrogen Generator (CHG), to allow for a future commercial demonstration. This effort was performed over the course of 51 months. The previous effort demonstrated that previously observed catalyst deactivation can be mitigated with different catalyst substrates and operating conditions. This follow-on effort will improve both the system operational reliability, and system efficiency. Additionally, a novel approach for the calcination process will be demonstrated which can reduce the cost of carbon dioxide capture by up to 60% compared to equivalent commercial approaches.

03 NATURAL GAS↗
DOE OSTI2023

Allosterically coupled conformational dynamics in solution prepare the sterol transfer protein StarD4 to release its cargo upon interaction with target membranes

Complex mechanisms regulate the cellular distribution of cholesterol, a critical component of eukaryote membranes involved in regulation of membrane protein functions directly and through the physiochemical properties of membranes. StarD4, a member of the steroidogenic acute regulator-related lipid-transfer (StART) domain (StARD)-containing protein family, is a highly efficient sterol-specific transfer protein involved in cholesterol homeostasis. Its mechanism of cargo loading and release remains unknown despite recent insights into the key role of phosphatidylinositol phosphates in modulating its interactions with target membranes. We have used large-scale atomistic Molecular dynamics (MD) simulations to study how the dynamics of cholesterol bound to the StarD4 protein can affect interaction with target membranes, and cargo delivery. We identify the two major cholesterol (CHL) binding modes in the hydrophobic pocket of StarD4, one near S136&S147 (the Ser-mode), and another closer to the putative release gate located near W171, R92&Y117 (the Trp-mode). We show that conformational changes of StarD4 associated directly with the transition between these binding modes facilitate the opening of the gate. To understand the dynamics of this connection we apply a machine-learning algorithm for the detection of rare events in MD trajectories (RED), which reveals the structural motifs involved in the opening of a front gate and a back corridor in the StarD4 structure occurring together with the spontaneous transition of CHL from the Ser-mode of binding to the Trp-mode. Further analysis of MD trajectory data with the information-theory based NbIT method reveals the allosteric network connecting the CHL binding site to the functionally important structural components of the gate and corridor. Mutations of residues in the allosteric network are shown to affect the performance of the allosteric connection. These findings outline an allosteric mechanism which prepares the CHL-bound StarD4 to release and deliver the cargo when it is bound to the target membrane.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Enhancing segmentation fairness through curriculum learning and progressive loss: a centralized and federated perspective on radiograph analysis

Bias in medical image segmentation can lead to unequal performance across demographic subgroups, raising concerns about fairness and reliability in clinical AI systems. While deep learning models have achieved high segmentation accuracy, ensuring equitable performance across race and gender remains a significant challenge, particularly in privacy-sensitive healthcare environments. This study investigates fairness-aware medical image segmentation for hip and knee radiographs using deep learning models evaluated in both centralized and Federated Learning (FL) settings. We introduce Curriculum Learning (CL) strategies and Progressive Loss (PL) functions to regulate sample difficulty during training. In addition, we propose two novel fairness-oriented federated learning algorithms, Federated Intersection over Union (FedIoU) and Federated Intersection over Union with Outlier Analysis (FedIoUoutlier). Experiments are conducted using multiple segmentation backbones and simulated multi-site data partitions derived from the Osteoarthritis Initiative dataset. Model performance is evaluated using Intersection over Union (IoU), IoU standard deviation, Skewed Error Ratio (SER), and Min-Max Disparity across race and gender subgroups. Statistical significance was verified using paired t-tests to compare per-sample IoU performance against baseline configurations. Across both hip and knee segmentation tasks, curriculum learning and progressive loss strategies consistently improved segmentation accuracy and reduced demographic performance disparities in centralized training. In federated settings, fairness-aware aggregation further enhanced performance. Notably, FedIoUoutlier combined with balanced curriculum learning and tiered progressive loss achieved the highest mean IoU while yielding the lowest SER and Min-Max Disparity, indicating improved fairness without sacrificing accuracy. In several configurations, federated models matched or exceeded the performance of optimized centralized models, with statistically significant improvements in per-sample IoU over baseline configurations. The results demonstrate that structured training strategies and fairness-aware federated aggregation can jointly improve accuracy, stability, and demographic fairness in medical image segmentation. By integrating curriculum learning, progressive loss, and novel FL algorithms, this work provides a practical pathway toward equitable and privacy-preserving AI systems for medical imaging.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Physical Nature of the Eclipsing δ Scuti Star AO Serpentis

We present the absolute properties of the eclipsing binary AO Ser with a pulsating component from our BV photometric and high-resolution spectroscopic observations, which were performed between 2017 April and May. The radial velocities (RVs) for both components were measured, and the effective temperature and projected rotational velocity of the primary star were determined to be T eff,1 = 8,820 ± 62 K and v 1 sini 1 = 90 ± 18 km s -1 , respectively, by comparing the observed spectrum with the Kurucz models. The accurate fundamental parameters of AO Ser were determined by a simultaneous analysis of the light and RV curves. The masses and radii of the primary and secondary components are M 1 = 2.55 ± 0.09 M ⊙ and R 1 = 1.64 ± 0.02 R ⊙ and M 2 = 0.49 ± 0.02 M ⊙ and R 2 = 1.38 ± 0.02 R ⊙ , respectively. Multiple frequency analyses for the eclipse-subtracted light residuals were conducted. As a result, we detected two frequencies of f 1 = 21.852 days -1 and f 2 = 23.484 days -1 . The evolutionary position on the HR diagram and the pulsational characteristics indicate that the primary star is a δ Sct pulsator with a radial fundamental mode. On the other hand, the relatively evolved secondary is oversized for its own mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Comparative Study of TESS Photometry and Radial Velocities on Six Early K-type Contact Binaries with Similar Periods around 0.268 Day

High-precision light curves were extracted from TESScut images. Together with APOGEE and LAMOST medium-resolution spectra, a joint study was made for six early K-type contact binary candidates selected unbiasedly with orbital periods around 0.268 day. It is found that all of them (RV CVn, EK Com, V384 Ser, V1038 Her, EH CVn, and CSS_J125403.7+503945) are W-subtype shallow contact systems, though with different mass ratios (1/q = 0.27–0.62). The effective temperature differences between the binary components are around a few hundred kelvins. The original definitions of the A and W subtypes were compared with the customarily used methods, which rely on the shape or photometric solutions of the light curves. The latter two methods are not always reliable; therefore, the radial velocity analysis is strongly recommended. Through a collection of all available K-type contact binaries with both photometric and spectroscopic measurements, it is found that almost all of them are W-subtype systems, except for a few objects that have nearly identical temperatures for binary components. This W-subtype phenomenon for K-type contact binaries should be further checked with more samples in the future. Finally, the physical parameters of the targets were determined with joint data analysis, and the multiplicity is discussed for these targets. Objects V384 Ser and RV CVn are confirmed to very likely be triple systems from comprehensive analysis, while V1038 Her is a candidate of a triple system based on photometric and spectroscopic solutions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Accurate in vivo tumor detection using plasmonic-enhanced shifted-excitation Raman difference spectroscopy (SERDS)

For the majority of cancer patients, surgery is the primary method of treatment. In these cases, accurately removing the entire tumor without harming surrounding tissue is critical; however, due to the lack of intraoperative imaging techniques, surgeons rely on visual and physical inspection to identify tumors. Surface-enhanced Raman scattering (SERS) is emerging as a non-invasive optical alternative for intraoperative tumor identification, with high accuracy and stability. However, Raman detection requires dark rooms to work, which is not consistent with surgical settings. Methods: Herein, we used SERS nanoprobes combined with shifted-excitation Raman difference spectroscopy (SERDS) detection, to accurately detect tumors in xenograft murine model. Results: We demonstrate for the first time the use of SERDS for in vivo tumor detection in a murine model under ambient light conditions. We compare traditional Raman detection with SERDS, showing that our method can improve sensitivity and accuracy for this task. Conclusion: Our results show that this method can be used to improve the accuracy and robustness of in vivo Raman/SERS biomedical application, aiding the process of clinical translation of these technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1979

Radio emission from nova shells

This paper presents data from multifrequency radio observations of the novae HR Del 1967 and FH Ser 1970 made from June 1970 to December 1978 and of V1500 Cyg 1975 made from September 1975 to December 1978. The data for FH Ser and V1500 Cyg constitute a complete history of the important phases of their radio 'light' curves, while all but the rising portion of the optically thick phase of an expanding nova shell is present for HR Del. A simple solution of the spherically symmetric equations of mass and momentum conservation for an isothermal gas, for which pressure gradients are effectively decoupled from the dynamics, is shown to fit the radio data for all three novae quite well. The main features of this model are strong density and velocity gradients that lead to long periods when the 'observable' shell evolves from an optically thick 'disk' to a completely optically thin shell.

Hjellming, R. M.↗
NASA NTRS1983

RW Tauri as a weak W Serpentis star

Observations of the short-period eclipsing binary RW Tau made with the LWR and SWP cameras of the IUE satellite and with the ITS scanner at the 3-m Shane telescope of the Lick Observatory in August and October, 1982, are reported and analyzed. At total eclipse, weak excess continuous radiation in the LWR range and emission lines at Si IV (1), C IV (1), Al III (1), Fe III (34), and Mg II (1) in the SWP range were detected. These findings are similar to those for W Ser-type binaries such as U Cep. The parameters of the system are estimated using a bilinearly interpolated atmospheric model of the type developed by Kurucz (1979): primary-star T(eff) = 11,750 K, log g = 4.2, cool-component spectral type = K0 III, E(B-V) color excess = 0.14 mag, system distance = 270 pc. The implications of these findings for proposed models of the W Ser binaries are discussed, and the observation of a possible distant optical companion star 45 arcsec from RW Tau is reported.

Plavec, M. J.↗
NASA NTRS1984

Carrier recovery methods for a dual-mode modem: A design approach

A dual mode model with selectable QPSK or 16-QASK modulation schemes is discussed. The theoretical reasoning as well as the practical trade-offs made during the development of a modem are presented, with attention given to the carrier recovery method used for coherent demodulation. Particular attention is given to carrier recovery methods that can provide little degradation due to phase error for both QPSK and 16-QASK, while being insensitive to the amplitude characteristic of a 16-QASK modulation scheme. A computer analysis of the degradation is symbol error rate (SER) for QPSK and 16-QASK due to phase error is prresented. Results find that an energy increase of roughly 4 dB is needed to maintain a SER of 1X10(-5) for QPSK with 20 deg of phase error and 16-QASK with 7 deg phase error.

Richards, C. W.↗
NASA NTRS1985

The electromagnetic ram action of the plasma focus as a paradigm for the generation of cosmic rays and the gigantic jets in active galaxies

Recent measurements of the energy spectrum of the plasma-focus-generated deuteron beam yield as spectrum of the form N(E)=(approx.) E to the -2.7 for 1MeV E 13 MeV. Other measurements show that the beta 1 electron beam which is generated simultaneously with the deuteron beam is interrupted into segments of spacing 25ps and duration approximately 4ps. A stuttering-electro-magnetic-ram (ser) model of the plasma focus in proposed which is similar to Raudorf's electronic ram which produces a similar spectrum for an electron beam for 1Mev E 10MeV. It is proposed that the cosmic ray spectrum and the giganic galactic jets are both generated by ser action near the centers of active galaxies.

Bostick, W. H.↗
NASA NTRS1988

A survey of IRAS data on 41 classical novae

The IRAS database has been searched for detections of 41 classical novae using coadditions of survey scans; 15 were detected. IRAS temporal observations of novae in outburst are discussed. The observed long-wavelength infrared distributions of DQ Her, and possibly HR Del, can be explained by emission from small (a of about 0.1 microns) dust grains heated by the central object. An alternative explanation for the energy distributions of DQ Her and HR Del is emission from fine-structure lines. FH Ser and LW Ser display energy distributions that have color temperatures much too hot to be due to heating of dust by the central source in any plausible scenario. Line emission is probably the best explanation of their observed energy distributions. The novae NQ Vul and LV Vul have energy distributions that may be contaminated by emission from galactic cirrus. The unusual object PL 1547.3-5612 exhibits an energy distribution that does not resemble those of planetary nebulae or other novae detected in this sample. An IRAS low-resolution spectrum of RR Tel shows the 10-micron silicate emission feature.

Harrison, T. E.↗
NASA NTRS1991

Conduct and results of the Interagency Nuclear Safety Review Panel's evaluation of the Ulysses space mission

After over a year of detailed independent review, a Safety Evaluation Report (SER) was prepared for the nuclear-powered Ulysses spacecraft mission. An overview is presently given of the Ulysses mission as well as the conduct and results of the evaluation process; in the final analysis, the SER was supportive of a positive launch decision. Eleven key accident scenarios were carried through to complete analysis, out of a total of 19 possible accidents involving a potential for fuel release to the spacecraft environment.

Sholtis, Joseph A., Jr.↗