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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Simultaneous Overexpression of FERULOYL‐CoA 6′‐HYDROXYLASE 1 and COUMARIN SYNTHASE Leads to Coumarin‐Enriched Lignin and Improved Saccharification in Greenhouse‐ and Field‐Grown Poplar

ABSTRACT The urgent need for renewable resources has increased the interest in woody biomass to manufacture bio‐based products. However, lignin recalcitrance limits the enzymatic conversion of wood into fermentable sugars, posing a major challenge for biomass deconstruction. To address this problem, we aimed at incorporating the coumarin scopoletin into the lignin polymer of poplar ( Populus tremula × P . alba ) by expressing FERULOYL‐CoA 6′‐HYDROXYLASE 1 ( F6′H1 ) and COUMARIN SYNTHASE ( COSY ) in lignifying cells. Three constructs were evaluated: two bicistronic constructs, SCOP1 ( COSY followed by F6′H1 ) and SCOP2 ( F6′H1 followed by COSY ), and one monocistronic, SCOP3 (only F6′H1 ). SCOP1 poplars produced most free scopoletin without altering overall lignin, cellulose or hemicellulose content. SCOP2 poplars were overall less efficient in scopoletin production and most of these lines showed a severe biomass yield penalty, whereas SCOP3 caused plant lethality. NMR and metabolic analyses confirmed that scopoletin cross‐coupled with G and S monomers during lignification in SCOP1 lines. In addition to scopoletin, the detection of benzodioxane structures revealed the incorporation of dihydroxycoumarins. Overall coumarin incorporation in lignin amounted up to 2.3%. After alkaline pretreatment, wood from greenhouse‐grown SCOP1 poplars released up to 29% more glucose compared to the wild type upon limited saccharification. Field‐testing of three SCOP1 lines showed a 6 to 11% increase in saccharification efficiency, with the line containing the lowest scopoletin levels maintaining normal growth. These results demonstrate that engineering lignin composition in poplar can improve saccharification, and emphasize the importance of construct design, translational research and field validation.

alternative lignin monomers↗
DOE OSTI2014

Imaging Axl expression in pancreatic and prostate cancer xenografts

Highlights: •Axl is overexpressed in a variety of cancers. •Axl overexpression confers invasive phenotype. •Axl imaging would be useful for therapeutic guidance and monitoring. •Axl expression imaging is demonstrated in pancreatic and prostate cancer xenografts. •Graded levels of Axl expression imaging is feasible. -- Abstract: The receptor tyrosine kinase Axl is overexpressed in and leads to patient morbidity and mortality in a variety of cancers. Axl–Gas6 interactions are critical for tumor growth, angiogenesis and metastasis. The goal of this study was to investigate the feasibility of imaging graded levels of Axl expression in tumors using a radiolabeled antibody. We radiolabeled anti-human Axl (Axl mAb) and control IgG1 antibodies with {sup 125}I with high specific radioactivity and radiochemical purity, resulting in an immunoreactive fraction suitable for in vivo studies. Radiolabeled antibodies were investigated in severe combined immunodeficient mice harboring subcutaneous CFPAC (Axl{sup high}) and Panc1 (Axl{sup low}) pancreatic cancer xenografts by ex vivo biodistribution and imaging. Based on these results, the specificity of [{sup 125}I]Axl mAb was also validated in mice harboring orthotopic Panc1 or CFPAC tumors and in mice harboring subcutaneous 22Rv1 (Axl{sup low}) or DU145 (Axl{sup high}) prostate tumors by ex vivo biodistribution and imaging studies at 72 h post-injection of the antibody. Both imaging and biodistribution studies demonstrated specific and persistent accumulation of [{sup 125}I]Axl mAb in Axl{sup high} (CFPAC and DU145) expression tumors compared to the Axl{sup low} (Panc1 and 22Rv1) expression tumors. Axl expression in these tumors was further confirmed by immunohistochemical studies. No difference in the uptake of radioactivity was observed between the control [{sup 125}I]IgG1 antibody in the Axl{sup high} and Axl{sup low} expression tumors. These data demonstrate the feasibility of imaging Axl expression in pancreatic and prostate tumor xenografts.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Cdk1, PKCδ and calcineurin-mediated Drp1 pathway contributes to mitochondrial fission-induced cardiomyocyte death

Highlights: • Drp1-mediated increased mitochondrial fission but not fusion is involved the cardiomyocyte death during anoxia-reoxygenation injury. • Reactive oxygen species are upstream initiators of mitochondrial fission. • Increased mitochondrial fission is resulted from Cdk1-, PKCδ-, and calcineurin-mediated Drp1 pathways. - Abstract: Myocardial ischemia–reperfusion (I/R) injury is one of the leading causes of death and disability worldwide. Mitochondrial fission has been shown to be involved in cardiomyocyte death. However, molecular machinery involved in mitochondrial fission during I/R injury has not yet been completely understood. In this study we aimed to investigate molecular mechanisms of controlling activation of dynamin-related protein 1 (Drp1, a key protein in mitochondrial fission) during anoxia-reoxygenation (A/R) injury of HL1 cardiomyocytes. A/R injury induced cardiomyocyte death accompanied by the increases of mitochondrial fission, reactive oxygen species (ROS) production and activated Drp1 (pSer616 Drp1), and decrease of inactivated Drp1 (pSer637 Drp1) while mitochondrial fusion protein levels were not significantly changed. Blocking Drp1 activity with mitochondrial division inhibitor mdivi1 attenuated cell death, mitochondrial fission, and Drp1 activation after A/R. Trolox, a ROS scavenger, decreased pSer616 Drp1 level and mitochondrial fission after A/R. Immunoprecipitation assay further indicates that cyclin dependent kinase 1 (Cdk1) and protein kinase C isoform delta (PKCδ) bind Drp1, thus increasing mitochondrial fission. Inhibiting Cdk1 and PKCδ attenuated the increases in pSer616 Drp1, mitochondrial fission, and cardiomyocyte death. FK506, a calcineurin inhibitor, blocked the decrease in expression of inactivated pSer637 Drp1 and mitochondrial fission. Our findings reveal the following novel molecular mechanisms controlling mitochondrial fission during A/R injury of cardiomyocytes: (1) ROS are upstream initiators of mitochondrial fission; and (2) the increased mitochondrial fission is resulted from both increased activation and decreased inactivation of Drp1 through Cdk1, PKCδ, and calcineurin-mediated pathways, respectively.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Structural, electrochemical and magnetic characterization of the layered-type PrBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+δ} perovskite

Structural, electrical and magnetic properties of the layered cobaltite PrBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+δ} have been investigated by means of neutron diffraction, electron diffraction, thermogravimetric analysis and SQUID magnetometry. Rietveld analysis of neutron diffraction data shows the ordered distribution of oxygen vacancies in [PrO{sub δ}] planes which doubles the lattice parameters from the simple perovskite cell parameter as a≈2a{sub p} and c≈2a{sub p} (a{sub p} is the cell parameter of the simple Perovskite) yielding tetragonal symmetry in the P4/mmm space group. On heating, above 573 K in air, structural rearrangement takes place and the structure can be defined as a≈a{sub p} and c≈2a{sub p} in the same space group. Oxygen occupancies have been determined as a function of temperature from neutron diffraction results. Initially (≥373 K), oxygen occupancy was increased and then decreased with increasing temperature. It was found that at 973 K the total oxygen loss is calculated about 0.265 oxygen/formula unit. Oxygen vacancy ordering was observed below 573 K, and the oxygen occupancy decreases as cell volume increases with increasing temperature. Area specific resistance (ASR) measurements show a resistance of 0.153 Ωcm{sup 2} and 0.286 Ωcm{sup 2} at 973 K and 923 K, respectively. On cooling, paramagnetic to ferromagnetic and an incomplete ferromagnetic to antiferromagnetic transition takes place. Different behaviours in field cooled and zero-field-cooled measurements leads to a coexistence of ferromagnetic and antiferromagnetic order. - Graphical abstract: Structural phase changes in PrBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+δ} at elevated temperatures determined by neutron powder diffraction. Depending on oxygen occupancy it form different phases at different temperatures. This pictures show the schematic 3D diagram of PrBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+δ} at 295 K (a), 373 K (b) and 573 K (c). Co atoms are inside the octahedra/pyramid. Ba and Sr occupy the same site. Oxygens are in the corner of polyhedra. - Highlights: • Structural phase changes at high temperatures. • Ordered distribution of oxygen vacancies below 573 K. • Double Perovskite type structure below 373 K in the P4/mmm space group. • Structural changes have direct correlation with conductivity. • Low area specific resistance at 973 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Localized plastic deformation and hardening in laser shock peened Inconel alloy 718SPF

Highlights: • The plastic strain in LSP-treated Inconel 718 alloy was characterized using EBSD. • LSP increases the low angle misorientations in the near-surface region, indicating the extend of plastic strain. • The near-surface plastic strain leads to an increase in local hardness and yield stress. - Abstract: Localized plastic deformation and hardening was studied in laser shock peened (LSP) Inconel 718 SPF (Super plastic forming), a fine grained Ni-Base superalloy, using electron backscatter diffraction (EBSD), nanoindentation, and micro pillar compression testing. 718SPF samples were LSP-treated with two different laser power densities. After LSP, the plastic deformation is manifested as increase in the fraction of low angle misorientations and the formation of sub-grain boundaries. EBSD was used to study plastic deformation as a function of distance from the peened surface for different laser intensities. Different approaches like image quality mapping and local misorientations analysis were used to study the in-depth distribution of the plastic strain. Results show that EBSD is effective in the qualitative characterization of localized plastic strain of the materials subjected to LSP.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effects of a gradually increased load of fish waste silage in co-digestion with cow manure on methane production

Highlights: • New results from continuous anaerobic co-digestion of fish waste silage (FWS) and cow manure (CM). • Co-digestion of FWS and CM has a high biogas potential. • Optimal mixing ratio of FWS/CM is 13–16/87–84 volume%. • High input of FWS leads to accumulation of NH4+ and VFAs and process failure. - Abstract: This study examined the effects of an increased load of nitrogen-rich organic material on anaerobic digestion and methane production. Co-digestion of fish waste silage (FWS) and cow manure (CM) was studied in two parallel laboratory-scale (8 L effective volume) semi-continuous stirred tank reactors (designated R1 and R2). A reactor fed with CM only (R0) was used as control. The reactors were operated in the mesophilic range (37 °C) with a hydraulic retention time of 30 days, and the entire experiment lasted for 450 days. The rate of organic loading was raised by increasing the content of FWS in the feed stock. During the experiment, the amount (volume%) of FWS was increased stepwise in the following order: 3% – 6% – 13% – 16%, and 19%. Measurements of methane production, and analysis of volatile fatty acids, ammonium and pH in the effluents were carried out. The highest methane production from co-digestion of FWS and CM was 0.400 L CH4 gVS{sup −1}, obtained during the period with loading of 16% FWS in R2. Compared to anaerobic digestion of CM only, the methane production was increased by 100% at most, when FWS was added to the feed stock. The biogas processes failed in R1 and R2 during the periods, with loadings of 16% and 19% FWS, respectively. In both reactors, the biogas processes failed due to overloading and accumulation of ammonia and volatile fatty acids.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Molecular mass growth through ring expansion in polycyclic aromatic hydrocarbons via radical–radical reactions

Abstract Polycyclic aromatic hydrocarbons (PAHs) represent key molecular building blocks leading to carbonaceous nanoparticles identified in combustion systems and extraterrestrial environments. However, the understanding of their formation and growth in these high temperature environments has remained elusive. We present a mechanism through laboratory experiments and computations revealing how the prototype PAH—naphthalene—can be efficiently formed via a rapid 1-indenyl radical—methyl radical reaction. This versatile route converts five- to six-membered rings and provides a detailed view of high temperature mass growth processes that can eventually lead to graphene-type PAHs and two-dimensional nanostructures providing a radical new view about the transformations of carbon in our universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Narrowband microwave-photonic notch filters using Brillouin-based signal transduction in silicon

Abstract The growing demand for bandwidth makes photonic systems a leading candidate for future telecommunication and radar technologies. Integrated photonic systems offer ultra-wideband performance within a small footprint, which can naturally interface with fiber-optic networks for signal transmission. However, it remains challenging to realize narrowband (∼MHz) filters needed for high-performance communications systems using integrated photonics. In this paper, we demonstrate all-silicon microwave-photonic notch filters with 50× higher spectral resolution than previously realized in silicon photonics. This enhanced performance is achieved by utilizing optomechanical interactions to access long-lived phonons, greatly extending available coherence times in silicon. We use a multi-port Brillouin-based optomechanical system to demonstrate ultra-narrowband (2.7 MHz) notch filters with high rejection (57 dB) and frequency tunability over a wide spectral band (6 GHz) within a microwave-photonic link. We accomplish this with an all-silicon waveguide system, using CMOS-compatible fabrication techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Photosystem stoichiometry adjustment is a photoreceptor-mediated process in Arabidopsis

Abstract Plant growth under spectrally-enriched low light conditions leads to adjustment in the relative abundance of the two photosystems in an acclimatory response known as photosystem stoichiometry adjustment. Adjustment of photosystem stoichiometry improves the quantum efficiency of photosynthesis but how this process perceives light quality changes and how photosystem amount is regulated remain largely unknown. By using a label-free quantitative mass spectrometry approach in Arabidopsis here we show that photosystem stoichiometry adjustment is primarily driven by the regulation of photosystem I content and that this forms the major thylakoid proteomic response under light quality. Using light and redox signaling mutants, we further show that the light quality-responsive accumulation of photosystem I gene transcripts and proteins requires phytochrome B photoreceptor but not plastoquinone redox signaling as previously suggested. In far-red light, the increased acceptor side limitation might deplete active photosystem I pool, further contributing to the adjustment of photosystem stoichiometry.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Using degrees of rate control to improve selective n-butane oxidation over model MOF-encapsulated catalysts: sterically-constrained Ag 3 Pd(111)

Metal nanoparticles encapsulated within metal organic frameworks (MOFs) offer steric restrictions near the catalytic metal that can improve selectivity, much like in enzymes. A microkinetic model is developed for the regio-selective oxidation of n -butane to 1-butanol with O 2 over a model for MOF-encapsulated bimetallic nanoparticles. The model consists of a Ag 3 Pd(111) surface decorated with a 2-atom-thick ring of (immobile) helium atoms which creates an artificial pore of similar size to that in common MOFs, which sterically constrains the adsorbed reaction intermediates. The kinetic parameters are based on energies calculated using density functional theory (DFT). The microkinetic model was analysed at 423 K to determine the dominant pathways and which species (adsorbed intermediates and transition states in the reaction mechanism) have energies that most sensitively affect the reaction rates to the different products, using degree-of-rate-control (DRC) analysis. This analysis revealed that activation of the C–H bond is assisted by adsorbed oxygen atoms, O*. Unfortunately, O* also abstracts H from adsorbed 1-butanol and butoxy as well, leading to butanal as the only significant product. This suggested to (1) add water to produce more OH*, thus inhibiting these undesired steps which produce OH*, and (2) eliminate most of the O 2 pressure to reduce the O* coverage, thus also inhibiting these steps. Combined with increasing butane pressure, this dramatically improved the 1-butanol selectivity (from 0 to 95%) and the rate (to 2 molecules per site per s). Moreover, 40% less O 2 was consumed per oxygen atom in the products. Under these conditions, a terminal H in butane is directly eliminated to the Pd site, and the resulting adsorbed butyl combines with OH* to give the desired 1-butanol. These results demonstrate that DRC analysis provides a powerful approach for optimizing catalytic process conditions, and that highly selectivity oxidation can sometimes be achieved by using a mixture of O 2 and H 2 O as the oxidant. This was further demonstrated by DRC analysis of a second microkinetic model based on a related but hypothetical catalyst, where the activation energies for two of the steps were modified.

catalysis (heterogeneous), materials and chemistry↗
DOE OSTI2025

Evolution of the ATLAS TDAQ online software framework towards Phase-II upgrade: Use of Kubernetes as an orchestrator of the ATLAS Event Filter computing farm

The ATLAS experiment at the LHC at CERN continuously evolves its TDAQ system to meet the challenges of new physics goals and technological advancements. As ATLAS prepares for the Phase-II Run 4 of the LHC, significant enhancements in the TDAQ Controls and Configuration (TDAQ-CC) tools have been designed to ensure efficient data collection, processing, and management. This abstract presents the evolution of ATLAS TDAQ-CC system leading up to Phase-II Run 4. As part of the evolution towards Phase-II, Kubernetes has been chosen to orchestrate the Event Filter (EF) farm. By leveraging Kubernetes, ATLAS can dynamically allocate computing resources, scale processing capacity in response to changing data taking conditions and ensure high availability of data processing services. The integration of the Kubernetes with the TDAQ Run Control framework enables perfect synchronisation between the experiment’s data acquisition components and the computing infrastructure. We will discuss the architectural considerations and implementation challenges involved in Kubernetes integration with the ATLAS TDAQ-CC system. We will highlight the benefits of using Kubernetes as an EF farm orchestrator, including improved resource utilization, enhanced fault tolerance, and simplified deployment and management of data processing workflows. In addition, we will report on the extensive testing of Kubernetes that was conducted using a farm of 2500 servers within the experiment data taking environment, demonstrating its scalability and robustness in handling the demands of the ATLAS TDAQ system for Phase-II. The adoption of Kubernetes represents a significant step forward in the evolution of ATLAS TDAQ-CC system, aligning with industry best practices in container orchestration.

Corso Radu, Alina [Univ. of California, Irvine, CA↗
DOE OSTI2024

Understanding atom probe’s analytical performance for iron oxides using correlation histograms and ab initio calculations

Abstract Field evaporation from ionic or covalently bonded materials often leads to the emission of molecular ions. The metastability of these molecular ions, particularly under the influence of the intense electrostatic field (10 10 Vm −1 ), makes them prone to dissociation with or without an exchange of energy amongst them. These processes can affect the analytical performance of atom probe tomography (APT). For instance, neutral molecules formed through dissociation may not be detected at all or with a time of flight no longer related to their mass, causing their loss from the analysis. Here, we evaluated the changes in the measured composition of FeO, Fe 2 O 3 and Fe 3 O 4 across a wide range of analysis conditions. Possible dissociation reactions are predicted by density-functional theory calculations considering the spin states of the molecules. The energetically favoured reactions are traced on to the multi-hit ion correlation histograms, to confirm their existence within experiments, using an automated Python-based routine. The detected reactions are carefully analyzed to reflect upon the influence of these neutrals from dissociation reactions on the performance of APT for analysing iron oxides.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Crop rotational diversity enhances belowground communities and functions in an agroecosystem

Abstract Biodiversity loss, an important consequence of agricultural intensification, can lead to reductions in agroecosystem functions and services. Increasing crop diversity through rotation may alleviate these negative consequences by restoring positive aboveground–belowground interactions. Positive impacts of aboveground biodiversity on belowground communities and processes have primarily been observed in natural systems. Here, we test for the effects of increased diversity in an agroecosystem, where plant diversity is increased over time through crop rotation. As crop diversity increased from one to five species, distinct soil microbial communities were related to increases in soil aggregation, organic carbon, total nitrogen, microbial activity and decreases in the carbon‐to‐nitrogen acquiring enzyme activity ratio. This study indicates positive biodiversity–function relationships in agroecosystems, driven by interactions between rotational and microbial diversity. By increasing the quantity, quality and chemical diversity of residues, high diversity rotations can sustain soil biological communities, with positive effects on soil organic matter and soil fertility.

Tiemann, L. K.↗
DOE OSTI2019

Parton showers and matching uncertainties in top quark pair production with Herwig 7

Abstract We evaluate the theoretical uncertainties in next-to-leading order plus parton shower predictions for top quark pair production and decay in hadronic collisions. Our work is carried out using the Herwig 7 event generator and presents an in-depth study of variations in matching schemes with two systematically different shower algorithms, the traditional angular-ordered and alternative dipole shower. We also present all of the required extensions of the Herwig dipole shower algorithm to properly take into account quark mass effects, as well as its ability to perform top quark decays. The predictions are compared at parton level as well as to Large Hadron Collider data, including in the boosted regime. We find that the regions where predictions with a non-top-quark-specific tune differ drastically from data are plagued by large uncertainties which are consistent between our two shower and matching algorithms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Steric Sea Level Rise and Relationships with Model Drift and Water Mass Representation in GFDL CM4 and ESM4

Abstract Density-driven steric seawater changes are a leading-order contributor to global mean sea level rise. However, intermodel differences in the magnitude and spatial patterns of steric sea level rise exist at regional scales and often emerge during the spinup and preindustrial control integrations of climate models. Steric sea level results from an eddy-permitting climate model, GFDL CM4, are compared with a lower-resolution counterpart, GFDL-ESM4. The results from both models are examined through basin-scale heat budgets and watermass analysis, and we compare the patterns of ocean heat uptake, redistribution, and sea level differ in ocean-only [i.e., Ocean Model Intercomparison Project (OMIP)] and coupled climate configurations. After correcting for model drift, both GFDL CM4 and GFDL-ESM4 simulate nearly equivalent ocean heat content change and global sea level rise during the historical period. However, the GFDL CM4 model exhibits as much as a 40% increase in surface ocean heat uptake in the Southern Ocean and subsequent increases in horizontal export to other ocean basins after bias correction. The results suggest regional differences in the processes governing Southern Ocean heat export, such as the formation of Antarctic Intermediate Water (AAIW), Subpolar Mode Water (SPMW), and gyre transport between the two models, and that sea level changes in these models cannot be fully bias-corrected. Since the process-level differences between the two models are evident in the preindustrial control simulations of both models, these results suggest that the control simulations are important for identifying and correcting sea level–related model biases.

Krasting, John P. [a NOAA/OAR/Geophysical Fluid Dy↗