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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography

SOS1 and SOS2 are guanine nucleotide exchange factors that mediate RTK-stimulated RAS activation. Selective SOS1:KRAS PPI inhibitors are currently under clinical investigation, whereas there are no reports to date of SOS2:KRAS PPI inhibitors. SOS2 activity is implicated in MAPK rebound when divergent SOS1 mutant cell lines are treated with the SOS1 inhibitor BI-3406; therefore, SOS2:KRAS inhibitors are of therapeutic interest. In this report, we detail a fragment-based screening strategy to identify X-ray cocrystal structures of five diverse fragment hits bound to SOS2.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Comment on “Five Decades of Observed Daily Precipitation Reveal Longer and More Variable Drought Events Across Much of the Western United States”

Abstract Changes in precipitation patterns with climate change could have important impacts on human and natural systems. Zhang et al. (2021, https://doi.org/10.1029/2020gl092293 ) report trends in daily precipitation patterns over the last five decades in the western United States, focusing on meteorological drought. They report that dry intervals (calculated at the annual or seasonal level) have increased across much of the southwestern U.S., with statistical assessment suggesting the results are statistically robust. However, Zhang et al. (2021, https://doi.org/10.1029/2020gl092293 ) preprocess their annual (or seasonal) averages to compute 5‐year moving window averages before using established statistical techniques for trend analysis that assume independence about some fixed trend. Here we show that the moving window preprocessing violates that independence assumption and inflates the statistical significance of their trend estimates. This raises questions about the robustness of their results. We conclude by discussing the difficulty of adjusting for spatial structure when assessing time trends in a regional context.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Genomic diversifications of five Gossypium allopolyploid species and their impact on cotton improvement

Abstract Polyploidy is an evolutionary innovation for many animals and all flowering plants, but its impact on selection and domestication remains elusive. Here we analyze genome evolution and diversification for all five allopolyploid cotton species, including economically important Upland and Pima cottons. Although these polyploid genomes are conserved in gene content and synteny, they have diversified by subgenomic transposon exchanges that equilibrate genome size, evolutionary rate heterogeneities and positive selection between homoeologs within and among lineages. These differential evolutionary trajectories are accompanied by gene-family diversification and homoeolog expression divergence among polyploid lineages. Selection and domestication drive parallel gene expression similarities in fibers of two cultivated cottons, involving coexpression networks and N 6 -methyladenosine RNA modifications. Furthermore, polyploidy induces recombination suppression, which correlates with altered epigenetic landscapes and can be overcome by wild introgression. These genomic insights will empower efforts to manipulate genetic recombination and modify epigenetic landscapes and target genes for crop improvement.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Five-second STEM dislocation tomography for 300 nm thick specimen assisted by deep-learning-based noise filtering

Scanning transmission electron microscopy (STEM) is suitable for visualizing the inside of a relatively thick specimen than the conventional transmission electron microscopy, whose resolution is limited by the chromatic aberration of image forming lenses, and thus, the STEM mode has been employed frequently for computed electron tomography based three-dimensional (3D) structural characterization and combined with analytical methods such as annular dark field imaging or spectroscopies. However, the image quality of STEM is severely suffered by noise or artifacts especially when rapid imaging, in the order of millisecond per frame or faster, is pursued. Here we demonstrate a deep-learning-assisted rapid STEM tomography, which visualizes 3D dislocation arrangement only within five-second acquisition of all the tilt-series images even in a 300 nm thick steel specimen. The developed method offers a new platform for various in situ or operando 3D microanalyses in which dealing with relatively thick specimens or covering media like liquid cells are required.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Distinct response of gross primary productivity in five terrestrial biomes to precipitation variability

Abstract Climate change will impact precipitation variability, potentially accelerating climate-terrestrial carbon feedbacks. However, the response of ecosystems to precipitation variability is difficult to constrain due to myriad physiological and abiotic variables that limit terrestrial productivity. Based on a combination of satellite imagery and a global network of daily precipitation data, we present here a statistical framework to isolate the impact of precipitation variability on the gross primary productivity of five biomes that collectively account for 50% of global land area. The productivity of mesic grasslands and forests decreases by ~28% and ~7% (respectively) in response to more irregular rain within the year, while the sensitivity is halved in response to higher year-to-year variability. Xeric grasslands are similarly impacted by intra-annual rainfall variance, but they show an increase in productivity with higher interannual rainfall variability. Conversely, the productivity of boreal forests increases under higher variability on both timescales. We conclude that projected changes in precipitation variability will have a measurable global impact on the terrestrial carbon sink.

Ritter, François↗
DOE OSTI2022

Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits

Here we describe the early stages of a fragment-based lead discovery (FBLD) project for a recently elucidated synthetic lethal target, the PRMT5/MTA complex, for the treatment of MTAP-deleted cancers. Starting with five fragment/PRMT5/MTA X-ray co-crystal structures, we employed a two-phase fragment elaboration process encompassing optimization of fragment hits and subsequent fragment growth to increase potency, assess synthetic tractability, and enable structure-based drug design. Two lead series were identified, one of which led to the discovery of the clinical candidate MRTX1719.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Experimental determination of the magnetic anisotropy in five-coordinated Co( II ) field-induced single molecule magnets

Magnetic anisotropy of the central metal atom is a crucial property of single molecule magnets (SMMs). Small structural changes can alter the magnetic properties, and accurate experimental methods to investigate magnetic anisotropy are therefore critical. Here, we investigate two five-coordinated Co( II ) SMMs, [CoCl 2 Cltpy] (1) and [CoBr 2 Cltpy] (2) (Cltpy = 4′-chloro-2,2′:6′,2′′-terpyridine), through multiple techniques. Ab initio theoretical calculations performed on the two compounds show that both possess axial magnetic anisotropy with the magnetic easy axis pointing towards one of the terminal halogen atoms. Theoretical calculations on SMMs are typically done on isolated molecular species, and to validate this approximation the magnetic anisotropy was further studied through experimental techniques. EPR measurements confirm an axial anisotropy of 1, and magnetic measurements provide experimental Zero-Field Splitting (ZFS) parameters, showing that the values from theoretical calculations are slightly overestimated. The X-ray electron density determined from 20 K single-crystal synchrotron X-ray diffraction data provides estimated d-orbital populations also suggesting axial magnetic anisotropy in both systems, and furthermore suggesting a more pronounced axiality in 1 compared to 2. This is in good agreement with the results obtained from both magnetic measurements and theoretical calculations. The magnetic anisotropy of 1 is quantified experimentally through polarized powder neutron diffraction via the site susceptibility method, confirming an axial magnetic anisotropy of the compound. A slight deviation in the easy axis direction is observed between experimental and theoretical results. This, together with the overestimation of the ZFS parameters from theoretical calculations, shows that experimental investigation of the magnetic anisotropy of SMMs is of high relevance. Magnetic anisotropy of the central metal atom is a crucial property of single molecule magnets (SMMs).

Slavensky, Hannah H. [Aarhus Univ. (Denmark)] (ORC↗
DOE OSTI2025

HEPCloud Operations at Fermilab—The First Five Years

The HEPCloud Facility at Fermilab has now been in production operation for five years. This facility is a unified provisioning gateway to US high performance computing centers, including NERSC, OLCF, and ALCF, other large supercomputers run by the NSF, and commercial clouds. HEPCloud delivers hundreds of millions of core-hours yearly for CMS. HEPCloud also serves other Fermilab experiments including DUNE, Mu2e, Muon g-2, and NOvA. In this paper we present the practical considerations of operating a distributed facility such as HEPCloud. We also mention some of the interesting research and development that HEPCloud has been used for including GPU-based machine learning inference servers, and tests of Quantum Computing.

Timm, Steven [Fermilab]↗
DOE OSTI2021

The five line-of-sight neutron time-of-flight (nToF) suite on the National Ignition Facility (NIF)

Measurement of the neutron spectrum from inertial confinement fusion implosions is one of the primary diagnostics of implosion performance. Analysis of the spectrum gives access to quantities such as neutron yield, hot-spot velocity, apparent ion temperature, and compressed fuel ρr through measurement of the down-scatter ratio. On the National Ignition Facility, the neutron time-of-flight suite has been upgraded to include five independent, collimated lines of sight, each comprising a high dynamic range bibenzyl/diphenylacetylene-stilbene scintillator [R. Hatarik et al., Plasma Fusion Res. 9, 4404104 (2014)] and high-speed fused silica Cherenkov detectors [A. S. Moore et al., Rev. Sci. Instrum. 89, 10I120 (2018)].

Moore, A. S. (ORCID:0000000221258882)↗
DOE OSTI2021

Development of five-moment two-fluid modeling for Z-pinch physics

The Z-pinch m = 0 instability as well as its stabilization by radially sheared axial flow is studied using the nonlinear ideal five-moment twofluid (5M2F) model with an extension of that model to include Braginskii heat and momentum transport. Using the ideal 5M2F model, linear growth rate results are compared with prior work using MHD and Hall MHD. At small normalized wavenumber, 1 < k a < 4 , where a is the effective pinch radius, 5M2F results agree with Hall MHD within 20% in scenarios without radially sheared axial flow. With the sheared flow and focusing on ka = 10/3, agreement with Hall MHD is excellent. In the limit of small ion inertial length, results also match with MHD. A comparison with PIC modeling of shear-free m = 0 stability focuses on a plasma scenario based on recent experimental results. In a scan of mode wavenumber, ideal 5M2F results are qualitatively similar to PIC: the growth rate rises to a peak at a moderate wavenumber and declines at a large wavenumber in contrast to MHD results, which show the saturation of the growth rate with the increasing wavenumber rather than a decline. The peak normalized 5M2F growth rate is &#x3B3; &#x3C4; A = 1.5 , where sA is the Alfven transit time across the pinch. The peak occurs at normalized wavenumber ka = 10. For comparison, PIC results have a peak growth of &#x3B3; &#x3C4; A = 0.77 at ka = 5. Including Braginskiibased closure of the 5M2F model does not qualitatively change the ideal results in this particular case. Nonlinear saturation is studied using the 5M2F model with the dissipative Braginskii-based closure in cases with pinch-edge sheared-flow speed equal to half the Alfven speed. Nonlinear mixing due to the sheared flow yields a quasi-steady state after modest losses of pinch ion inventory and pinch thermal energy, approximately 30% and 10%, respectively. 5M2F modeling captures the essential physics of m = 0 instability and offers a computationally tractable route to high-fidelity modeling of 3D Z-pinch behavior, including m = 1 instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A review of five decades of strategic decisions and key results on the path to ignition on the National Ignition Facility

Successful demonstration of an implosion that meets the physics metrics for ignition on the National Ignition Facility (NIF) in August 2021 and demonstration of G > 1 in December 2022 represented the culmination of five decades of research. This review covers the key strategic decisions and physics results from the 20 J Janus laser to the 2 MJ NIF laser. NIF's specifications were set in order to have a margin in performance to account for uncertainty in the physics challenges leading to ignition, particularly for laser–plasma interaction and hydrodynamic instabilities including long-wavelength modes responsible for implosion symmetry. The ignition experiments utilized all that margin. Achieving the laser and target performance utilized in the Hybrid-E experiments that achieved ignition and G > 1 proved to be a challenge that consumed a decade.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Survival estimates across five life stages of redfin ( Perca fluviatilis ) exposed to simulated pumped-storage hydropower stressors

The global prevalence of pumped-storage hydropower (PSH) is expected to grow exponentially as countries transition to renewable energy sources. Compared to conventional hydropower, little is currently known regarding PSH impacts on aquatic biota. This study estimated the survival of five life stages (egg, two larval stages, juvenile and adult) of redfin (European) perch (Perca fluviatilis) following passage through a PSH facility during the pumping phase. This was achieved by simulating the individual stressors expected to occur during passage through a 2000-MW PSH facility using laboratory-simulated (shear strain and extreme compression) and modelling (blade strike, BS) approaches. Our results indicate that redfin could survive the shear, pressure and BS stressors expected within the PSH facility, but impacts varied among life stages. Juvenile survival was >70% across all shear strain rates, while the survival of eggs and larvae declined markedly as strain rate increased. All life stages had high survival when exposed to rapid compression and BS. The high survival of redfin to the stressors tested suggests the PSH facility could facilitate the passage of redfin during the pumping phase from the lower to the higher elevation reservoir. This outcome would be welcomed in situations where the species is native, but could have adverse implications for the conservation of native biota where the species is considered a pest.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Non-invasive imaging reveals convergence in root and stem vulnerability to cavitation across five tree species

Root vulnerability to cavitation is challenging to measure and under-represented in current datasets. This gap limits the precision of models used to predict plant responses to drought because roots comprise the critical interface between plant and soil. In this study, we measured vulnerability to drought-induced cavitation in woody roots and stems of five tree species (Acacia aneura, Cedrus deodara, Eucalyptus crebra, Eucalytus saligna, and Quercus palustris) with a wide range of xylem anatomies. X-ray microtomography was used to visualize the accumulation of xylem embolism in stems and roots of intact plants that were naturally dehydrated to varying levels of water stress. Vulnerability to cavitation, defined as the water potential causing a 50% loss of hydraulic function (P 50 ), varied broadly among the species (–4.51 MPa to –11.93 MPa in stems and –3.13 MPa to –9.64 MPa in roots). The P 50 of roots and stems was significantly related across species, with species that had more vulnerable stems also having more vulnerable roots. While there was strong convergence in root and stem vulnerability to cavitation, the P 50 of roots was significantly higher than the P 50 of stems in three species. However, the difference in root and stem vulnerability for these species was small; between 1% and 31% of stem P 50 . Thus, while some differences existed between organs, roots were not dramatically more vulnerable to embolism than stems, and the differences observed were less than those reported in previous studies. Further study is required to evaluate the vulnerability across root orders and to extend these conclusions to a greater number of species and xylem functional types.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Mode stability for massless scalars in five-dimensional black hole backgrounds

The mode stability of the Kerr black hole in four dimensions was demonstrated by Whiting in 1989, by separating the Teukolsky equation that describes gravitational perturbations and then transforming the radial and angular equations in such a way that the problem can be reformulated as a wave equation in an auxiliary spacetime in which the proof of stability is greatly simplified, owing to the absence of an ergoregion. As a preliminary step towards extending these ideas to higher-dimensional black holes, we study the mode stability of the massless scalar wave equation in the five-dimensional black hole solutions of Einstein gravity and supergravity. We show how the wave equation can again be mapped into one in an auxiliary spacetime in which there is no ergoregion, allowing us to give a proof of the mode stability of the solutions of the scalar wave equation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Five-analyzer Johann spectrometer for hard X-ray photon-in/photon-out spectroscopy at the Inner Shell Spectroscopy beamline at NSLS-II: design, alignment and data acquisition

Here, a recently commissioned five-analyzer Johann spectrometer at the Inner Shell Spectroscopy beamline (8-ID) at the National Synchrotron Light Source II (NSLS-II) is presented. Designed for hard X-ray photon-in/photon-out spectroscopy, the spectrometer achieves a resolution in the 0.5–2 eV range, depending on the element and/or emission line, providing detailed insights into the local electronic and geometric structure of materials. It serves a diverse user community, including fields such as physical, chemical, biological, environmental and materials sciences. This article details the mechanical design, alignment procedures and data-acquisition scheme of the spectrometer, with a particular focus on the continuous asynchronous data-acquisition approach that significantly enhances experimental efficiency.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Comparisons of biomass, water use efficiency and water use strategies across five genomic groups of Populus and its hybrids

Abstract Genetic improvement and hybridization in the Populus genus have led to the development of genotypes exhibiting fast growth, high rooting ability and disease resistance. However, while large biomass production is important for bioenergy crops, efficient use of resources including water is also important in sites lacking irrigation and for maintaining ecosystem water availability. In addition, comparison of water use strategies across a range of growth rates and genetic variability can elucidate whether certain strategies are shared among the fastest growing and/or most water use efficient genotypes. We estimated tree water use throughout the second growing season via sapflow sensors of 48 genotypes from five Populus taxa; P. deltoides W. Bartram ex Marshall × P. deltoides (D × D), P. deltoides × P. maximowiczii A. Henry (D × M), P. deltoides × P. nigra L. (D × N), P. deltoides × P. trichocarpa Torr. & Gray (D × T) and P. trichocarpa × P. deltoides (T × D) and calculated average canopy stomatal conductance ( G S ). We regressed G S and atmospheric vapor pressure deficit (VPD) wherein the slope of the relationship represents stomatal sensitivity to VPD. At the end of the second growing season, trees were harvested, and their dry woody biomass was used to calculate whole tree water use efficiency (WUE T ). We found that D × D and D × M genotypes exhibited differing water use strategies with D × D genotypes exhibiting high stomatal sensitivity while retaining leaves while D × M genotypes lost leaf area throughout the growing season but exhibited low stomatal sensitivity. Across measured taxa, biomass growth was positively correlated with WUE T , and genotypes representing each measured taxa except D × N and T × D had high 2‐year dry biomass of above 6 kg/tree. Overall, these data can be used to select Populus genotypes that combine high biomass growth with stomatal sensitivity and WUE T to limit the negative impacts of bioenergy plantations on ecosystem water resources.

09 BIOMASS FUELS↗
DOE OSTI2023

Biomass yield in a genetically diverse Miscanthus sacchariflorus germplasm panel phenotyped at five locations in Asia, North America, and Europe

Abstract Miscanthus is a high‐yielding bioenergy crop that is broadly adapted to temperate and tropical environments. Commercial cultivation of Miscanthus is predominantly limited to a single sterile triploid clone of Miscanthus × giganteus , a hybrid between Miscanthus sacchariflorus and M. sinensis. To expand the genetic base of M. × giganteus , the substantial diversity within its progenitor species should be used for cultivar improvement and diversification. Here, we phenotyped a diversity panel of 605 M. sacchariflorus from six previously described genetic groups and 27 M. × giganteus genotypes for dry biomass yield and 16 yield‐component traits, in field trials grown over 3 years at one subtropical location (Zhuji, China) and four temperate locations (Foulum, Denmark; Sapporo, Japan; Urbana, Illinois; and Chuncheon, South Korea). There was considerable diversity in yield and yield‐component traits among and within genetic groups of M. sacchariflorus , and across the five locations. Biomass yield of M. sacchariflorus ranged from 0.003 to 34.0 Mg ha −1 in year 3. Variation among the genetic groups was typically greater than within, so selection of genetic group should be an important first step for breeding with M. sacchariflorus . The Yangtze 2x genetic group (=ssp. lutarioriparius ) of M. sacchariflorus had the tallest and thickest culms at all locations tested. Notably, the Yangtze 2x genetic group's exceptional culm length and yield potential were driven primarily by a large number of nodes (>29 nodes culm −1 average over all locations), which was consistent with the especially late flowering of this group. The S Japan 4x, the N China/Korea/Russia 4x, and the N China 2x genetic groups were also promising genetic resources for biomass yield, culm length, and culm thickness, especially for temperate environments. Culm length was the best indicator of yield potential in M. sacchariflorus . These results will inform breeders' selection of M. sacchariflorus genotypes for population improvement and adaptation to target production environments.

59 BASIC BIOLOGICAL SCIENCES↗