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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Coatomer subunit beta 2 (COPB2), identified by label-free quantitative proteomics, regulates cell proliferation and apoptosis in human prostate carcinoma cells

Highlights: • Our paper offered an available method to identified and confirm some differential expression of genes in prostate cancer. • Our paper provided us a common method to research the function of gene for prostate cancer. • Our paper helps us to identify a novel cancer related gene to explain for development of novel targeted drugs. Label-free quantitative proteomics has broad applications in the identification of differentially expressed proteins. Here, we applied this method to identify differentially expressed proteins (such as coatomer subunit beta 2 [COPB2]) and evaluated the functions and molecular mechanisms of these proteins in prostate cancer (PCA) cell proliferation. Proteins extracted from surgically resected PCA tissues and adjacent tissues of 3 patients were analyzed by label-free quantitative proteomics. The target protein was confirmed by bioinformatics and GEO dataset analyses. To investigate the role of the target protein in PCA, we used lentivirus-mediated small-interfering RNA (siRNA) to knockdown protein expression in the prostate carcinoma cell line, CWR22RV1 cells and assessed gene and protein expression by reverse transcription quantitative polymerase chain reaction and western blotting. CCK8 and colony formation assays were conducted to evaluate cell proliferation. Cell cycle distributions and apoptosis were assayed by flow cytometry. We selected the differentiation-related protein COPB2 as our target protein based on the results of label-free quantitative proteomics. High expression of COPB2 was found in PCA tissue and was related to poor overall survival based on a public dataset. Cell proliferation was significantly inhibited in COPB2-knockdown CWR22RV1 cells, as demonstrated by CCK8 and colony formation assays. Additionally, the apoptosis rate and percentage of cells in the G{sub 1} phase were increased in COPB2-knockdown cells compared with those in control cells. CDK2, CDK4, and cyclin D1 were downregulated, whereas p21 Waf1/Cip1 and p27 Kip1 were upregulated, affecting the cell cycle signaling pathway. COPB2 significantly promoted CWR22RV1 cell proliferation through the cell cycle signaling pathway. Thus, silencing of COPB2 may have therapeutic applications in PCA.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Fabrication of porous transport electrodes: Development of quantitative approach for quality control

This work focuses on porous transport electrodes (PTEs), which integrate the anodic catalyst with the adjacent Ti porous transport layer (PTL). Challenges in catalyst deposition on PTLs, particularly at low loadings, motivated this study to evaluate various fabrication methods and characterization approaches. This work investigated Pt-treated PTLs coated with Ir-based catalysts using several common methods, including airbrush coating, rod coating, ultrasonic spray coating, electrodeposition, and sputter deposition, with catalyst loadings ranging from 2.9 to 0.1 mg/cm 2 , providing the opportunity for comparisons across a large set of samples produced by different methods. Two widely accessible characterization techniques: X-ray computed tomography (XCT) and scanning electron microscopy energy dispersive X-ray spectroscopy (SEM-EDS) were explored. Initial evaluation of selected samples with XCT provided qualitative insights into catalyst distribution, however comprehensive quantitative analysis was limited. SEM-EDS enabled detailed information on the catalyst distribution both qualitatively and quantitatively using two metrics. Atomic and surface area % ratios of Pt:Ir and Ti:Ir revealed trends in catalyst loading and losses into the PTL pores, as well as evaluating the homogeneity of catalyst coatings. The analysis demonstrated that ultrasonic spray coating, electrodeposition, and sputter coating produced the most homogeneous coatings, with minimal catalyst losses observed for electrodeposition and sputter coating. By adapting common techniques with novel, standardized methodologies, this work establishes a universally applicable framework for cross-study comparison of PTEs. The SEM-EDS approach provides a practical, accessible tool for PTE characterization and contributes a reference dataset supporting both research development and rapid quality control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Effect of torrefaction temperature on lignin macromolecule and product distribution from HZSM-5 catalytic pyrolysis

Torrefaction is a low-temperature process considered as an effective pretreatment technique to improve the grindability of biomass as well as enhance the production of aromatic hydrocarbons from Catalytic Fast Pyrolysis (CFP). For this paper, this study was performed to understand the effect of torrefaction temperature on structural changes in the lignin macromolecule and its subsequent influence on in-situ CFP process. Lignin extracted from southern pine and switchgrass (via organosolv treatment) was torrefied at four different temperatures (150, 175, 200 and 225 °C) in a tubular reactor. Between the two biomass types studied, lignin from pine appeared to have greater thermal stability during torrefaction when compared with switchgrass lignin. The structural changes in lignin as a result of torrefaction were followed by using FTIR spectroscopy, solid state CP/MAS 13 C NMR, 31 P NMR spectroscopy and it was found that higher torrefaction temperature (200 and 225 °C) caused polycondensation and de-methoxylation of the aromatic units of lignin. Gel permeation chromatography analysis revealed that polycondensation during torrefaction resulted in an increase in the molecular weight and polydispersity of lignin. The torrefied lignin was subsequently used in CFP experiments using H + ZSM-5 catalyst in a micro-reactor (Py-GC/MS) to understand the effect of torrefaction on the product distribution from pyrolysis. It was observed that although the selectivity of benzene-toluene-xylene compounds from CFP of pine improved from 58.3% (torrefaction temp at 150 °C) to 69.0% (torrefaction temp at 225 °C), the severity of torrefaction resulted in a loss of overall aromatic hydrocarbon yield from 11.6% to 4.9% under same conditions. Torrefaction at higher temperatures also increased the yield of carbonaceous residues from 63.9% to 72.8%. Finally, overall, torrefying lignin caused structural transformations in both type of lignins (switchgrass and pine), which is ultimately detrimental to achieving a higher aromatic hydrocarbon yield from CFP.

09 BIOMASS FUELS↗
DOE OSTI2025

Microstructural evolution and phase stability in Nb-containing interstitial Fe-Mn-Co-Cr-C high-entropy alloys: An in-situ synchrotron X-ray diffraction study during laser melting

The influence of Nb on phase stability and microstructural evolution in an interstitial Fe-Mn-Co-Cr-C high-entropy alloy was investigated using in-situ synchrotron X-ray diffraction (SXRD) during laser melting. Scheil-Gulliver simulations predict the formation of σ and γ-f.c.c. phases in all three alloys, along with NbC in Nb-containing compositions. SXRD confirmed the presence of most predicted phases, but the σ phase was absent. Nb promotes crystallite refinement and increases dislocation density, though excessive additions reduce refinement efficiency due to solubility limits and secondary phase formation. Furthermore, Nb addition also enhances ε-h.c.p. phase formation by reducing stacking fault energy through NbC-induced carbon depletion. Analysis of intensity peak evolution reveals that Nb alters preferred grain orientations, reducing {111} γ intensity while enhancing {220} γ , leading to a more isotropic grain distribution. Overall, Nb plays a key role in phase selection, microstructure refinement, and preferred orientation evolution, allowing the tailored microstructure of high-entropy alloys via rapid solidification.

Interstitial high entropy alloys↗
DOE OSTI2025

Soft Nanoconfinement Nucleates and Stabilizes Ultrasmall Amorphous Calcium Carbonate from Aggregation

Organisms use soft confinement structures, such as vesicles and compartments, to direct the nucleation of calcium carbonate (CaCO 3 ) and its subsequent processes during biomineralization. Despite recent efforts elucidating confinement’s effects on CaCO 3 polymorph selection, we still poorly understand how the size and distribution of CaCO 3 are controlled within soft confinement. Here, using a size-controlled nanoemulsions system made from isooctane, Span 80, Tween 80, and aqueous solutions, we studied CaCO 3 formation in soft confinement. Small angle X-ray scattering (SAXS) confirmed that a 72 nm aqueous core in nanoemulsions served as the confined space for CaCO 3 formation. Unlike the ~ 50 nm CaCO 3 particles that formed in the unconfined solution, small angle neutron scattering (SANS) and transmission electron microscope (TEM) showed that ultrasmall and amorphous calcium carbonate precipitated within soft confinement and did not exhibit any aggregation/coalescence of nanoparticles even after 24 hrs of reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Orbital-Resolved Imaging of the Adsorbed State of Pyridine on GaP(110) Identifies Sites Susceptible to Nucleophilic Attack

Artificial photosynthesis by photoelectrocatalytic CO 2 reduction is dependent, as is natural photosynthesis, on interfacial electron transfer to couple light excitation energy to reaction centers. For heterogeneous systems, in the context of frontier orbital theory, artificial reaction centers are defined through the interactions of filled and empty orbitals within a few electron volts of the Fermi energy of the adsorbate complex. Here we report a scanning tunneling microscopy (STM) and density functional theory investigation of the orbital-resolved adsorption state defining the dative bonding interaction between a III-V semiconductor surface [GaP(110)] and a N containing heteroaromatic (pyridine). This system was selected for its relevance to photoelectrocatalysis utilizing heteroaromatic co-catalysts, which has been reported to yield highly selective CO 2 reduction to fuels. By examining the distribution of unoccupied molecular orbitals, we show that STM images can be used to positively identify the sites on pyridine susceptible to nucleophilic attack, consistent with frontier orbital theory. Furthermore, this indicates that STM can be used to explore the local reaction centers of adsorbed ambidentate electrophiles and nucleophiles relevant to artificial photosynthesis, and more broadly to generate critical mechanistic information for various heterogeneous acid-base reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Electrostatic Control of Regioselectivity in Au(I)-Catalyzed Hydroarylation

Competing pathways in catalytic reactions often involve transition states with very different charge distributions, but this difference is rarely exploited to control selectivity. The proximity of a counterion to a charged catalyst in an ion paired complex gives rise to strong electrostatic interactions that could be used to energetically differentiate transition states. We investigate the effects of ion pairing on the regioselectivity of the hydroarylation of 3-substituted phenyl propargyl ethers catalyzed by cationic Au(I) complexes, which forms a mixture of 5- and 7-substituted 2H-chromenes. We show that changing the solvent dielectric to enforce ion pairing to a SbF 6 – counterion changes the regioselectivity by up to a factor of 12 depending on the substrate structure. Density functional theory (DFT) is used to calculate the energy difference between the putative product-determining isomeric transition states (ΔΔE ‡ ) in both the presence and absence of the counterion. The change in ΔΔE ‡ upon switching from the unpaired transition states in high solvent dielectric to ion paired transition states in low solvent dielectric (Δ(ΔΔE ‡ )) was found to be in good agreement with the experimentally observed selectivity changes across several substrates. Our calculations indicate that the origin of Δ(ΔΔE ‡ ) lies in the preferential electrostatic stabilization of the transition state with greater charge separation by the counterion in the ion paired case. By performing calculations at multiple different values of the solvent dielectric, we show that the role of the solvent in changing selectivity is not solely to enforce ion pairing, but rather that interactions between the ion paired complex and the solvent also contribute to Δ(ΔΔE ‡ ). Our results provide a foundation for exploiting electrostatic control of selectivity in other ion paired systems.

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

Efficient hydrogen peroxide generation using reduced graphene oxide-based oxygen reduction electrocatalysts

Electrochemical oxygen reduction has garnered attention as an emerging alternative to the traditional anthraquinone oxidation process to enable the distributed production of hydrogen peroxide. Here, we demonstrate a selective and efficient non-precious electrocatalyst, prepared through an easily scalable mild thermal reduction of graphene oxide, to form hydrogen peroxide from oxygen. During oxygen reduction, certain variants of the mildly reduced graphene oxide electrocatalyst exhibit highly selective and stable peroxide formation activity at low overpotentials (<10 mV) under basic conditions, exceeding the performance of current state-of-the-art alkaline catalysts. Spectroscopic structural characterization and in situ Raman spectroelectrochemistry provide strong evidence that sp 2 -hybridized carbon near-ring ether defects along sheet edges are the most active sites for peroxide production, providing new insight into the electrocatalytic design of carbon-based materials for effective peroxide production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ultrasmall amorphous zirconia nanoparticles catalyse polyolefin hydrogenolysis

Carbon–carbon bond cleavage reactions, adapted to deconstruct aliphatic hydrocarbon polymers and recover the intrinsic energy and carbon value in plastic waste, have typically been catalysed by metal nanoparticles or air-sensitive organometallics. Metal oxides that serve as supports for these catalysts are typically considered to be inert. Here we show that Earth-abundant, non-reducible zirconia catalyses the hydrogenolysis of polyolefins with activity rivalling that of precious metal nanoparticles. To harness this unusual reactivity, our catalytic architecture localizes ultrasmall amorphous zirconia nanoparticles between two fused platelets of mesoporous silica. Macromolecules translocate from bulk through radial mesopores to the highly active zirconia particles, where the chains undergo selective hydrogenolytic cleavage into a narrow, C18-centred distribution. Calculations indicated that C–H bond heterolysis across a Zr–O bond of a Zr(O) 2 adatom model for unsaturated surface sites gives a zirconium hydrocarbyl, which cleaves a C–C bond via β-alkyl elimination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Development of spectrally selective imaging system for negative hydrogen ion source

A spectrally selective imaging system has been developed to obtain a distribution of H{sub α} emissions at the extraction region in a hydrogen negative ion source. The diagnostic system consisted of an aspherical lens, optical filters, a fiber image conduit, and a charge coupled device detector was installed on the 1/3-scaled hydrogen negative ion source in the National Institute for Fusion Science. The center of sight line passes beside the plasma grid (PG) surface with the distance of 11 mm, and the viewing angle has coverage 35 mm from the PG surface. Two dimensional H{sub α} distribution in the range up to 20 mm from the PG surface was clearly observed. The reduction area for H{sub α} emission caused by beam extraction was widely distributed in the extraction region near the PG surface.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Field-effect BaTiO{sub 3}-Si solar cells

Conventional solar cells make use of the spatial variation in electronic environment due to junctions for charge separation. We investigated field-effect BaTiO{sub 3}-Si solar cells that utilize the bound surface charges of BaTiO{sub 3} to separate charge carriers in silicon. Rectifying behavior and photovoltaic effect were observed on cells with forward polarization. Theoretical simulation indicated that the induced electric field due to BaTiO{sub 3} polarization could extend into the silicon layer, which is consistent with experimental observations. In addition, adjusting relevant parameters may optimize the electric field distribution. The cells are promising in terms of material selection, device design, and fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hot carrier extraction from 2D semiconductor photoelectrodes

Hot carrier-based energy conversion systems could double the efficiency of conventional solar energy technology or drive photochemical reactions that would not be possible using fully thermalized, “cool” carriers, but current strategies require expensive multijunction architectures. Using an unprecedented combination of photoelectrochemical and in situ transient absorption spectroscopy measurements, we demonstrate ultrafast (<50 fs) hot exciton and free carrier extraction under applied bias in a proof-of-concept photoelectrochemical solar cell made from earth-abundant and potentially inexpensive monolayer (ML) MoS 2 . Our approach facilitates ultrathin 7 Å charge transport distances over 1 cm 2 areas by intimately coupling ML-MoS 2 to an electron-selective solid contact and a hole-selective electrolyte contact. Our theoretical investigations of the spatial distribution of exciton states suggest greater electronic coupling between hot exciton states located on peripheral S atoms and neighboring contacts likely facilitates ultrafast charge transfer. Our work delineates future two-dimensional (2D) semiconductor design strategies for practical implementation in ultrathin photovoltaic and solar fuel applications.

2D materials↗
DOE OSTI2024

Progress in Fast Modular Reactor Conceptual Design

The Fast Modular Reactor (FMR) is a 100-MW(thermal) gas-cooled fast reactor being developed by General Atomics Electromagnetic System with the goal of developing a FMR for flexible and dispatchable power to the U.S. electricity market in the mid-2030s. The conceptual design aims to develop and verify simplified design features. These include an inert helium gas coolant, pellet-loaded fuel rods, installations with air cooling as ultimate heat sink, and small and passive heat removal systems. The goal is to ensure the development of a safe, maintainable, cost-effective, and distributed nuclear energy-generating station. The baseline technologies selected to achieve this goal are a helium coolant that is an inert gas with no chemical reaction with structural components, not activated, single phase, enabling high-temperature operation and a high thermal efficiency Brayton cycle; conventional uranium dioxide (UO 2 ) fuel, which is the most widely used and well-known fuel material, capable of high burnup (100 MWd/kg) and a long fuel life; and silicon carbide composite (SiGA®) cladding and internal structures that are chemically inert in the helium environment, exceptionally radiation tolerant, and being derisked by accident tolerant fuel technology development. Further, the reactor was specifically designed with passive safety features, including high-temperature in-core materials and a reactor vessel cooling system consisting of cooling panels of naturally circulating water. The passive safety of the core was confirmed for the depressurized loss-of–forced cooling accident, which showed the peak cladding temperature at ~1600°C during the transient, which is below the current design limit of 1800°C. The conceptual design of the FMR has been conducted for the reactor system, vessel system, generator and turbomachine, instrumentation and control, residual heat removal system, plant service system, and containment, as well as pre-application licensing documents.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

COMPACT DUST CONCENTRATION IN THE MWC 758 PROTOPLANETARY DISK

The formation of planetesimals requires that primordial dust grains grow from micron- to kilometer-sized bodies. Dust traps caused by gas pressure maxima have been proposed as regions where grains can concentrate and grow fast enough to form planetesimals, before radially migrating onto the star. We report new VLA Ka and Ku observations of the protoplanetary disk around the Herbig Ae/Be star MWC 758. The Ka image shows a compact emission region in the outer disk, indicating a strong concentration of big dust grains. Tracing smaller grains, archival ALMA data in band 7 continuum shows extended disk emission with an intensity maximum to the northwest of the central star, which matches the VLA clump position. The compactness of the Ka emission is expected in the context of dust trapping, as big grains are trapped more easily than smaller grains in gas pressure maxima. We develop a nonaxisymmetric parametric model inspired by a steady-state vortex solution with parameters adequately selected to reproduce the observations, including the spectral energy distribution. Finally, we compare the radio continuum with SPHERE scattered light data. The ALMA continuum spatially coincides with a spiral-like feature seen in scattered light, while the VLA clump is offset from the scattered light maximum. Moreover, the ALMA map shows a decrement that matches a region devoid of scattered polarized emission. Continuum observations at a different wavelength are necessary to conclude whether the VLA-ALMA difference is an opacity or a real dust segregation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

THE SPITZER INFRARED SPECTROGRAPH DEBRIS DISK CATALOG. I. CONTINUUM ANALYSIS OF UNRESOLVED TARGETS

During the Spitzer Space Telescope cryogenic mission, Guaranteed Time Observers, Legacy Teams, and General Observers obtained Infrared Spectrograph (IRS) observations of hundreds of debris disk candidates. We calibrated the spectra of 571 candidates, including 64 new IRAS and Multiband Imaging Photometer for Spitzer (MIPS) debris disks candidates, modeled their stellar photospheres, and produced a catalog of excess spectra for unresolved debris disks. For 499 targets with IRS excess but without strong spectral features (and a subset of 420 targets with additional MIPS 70 μm observations), we modeled the IRS (and MIPS data) assuming that the dust thermal emission was well-described using either a one- or two-temperature blackbody model. We calculated the probability for each model and computed the average probability to select among models. We found that the spectral energy distributions for the majority of objects (∼66%) were better described using a two-temperature model with warm (T {sub gr} ∼ 100-500 K) and cold (T {sub gr} ∼ 50-150 K) dust populations analogous to zodiacal and Kuiper Belt dust, suggesting that planetary systems are common in debris disks and zodiacal dust is common around host stars with ages up to ∼1 Gyr. We found that younger stars generally have disks with larger fractional infrared luminosities and higher grain temperatures and that higher-mass stars have disks with higher grain temperatures. We show that the increasing distance of dust around debris disks is inconsistent with self-stirred disk models, expected if these systems possess planets at 30-150 AU. Finally, we illustrate how observations of debris disks may be used to constrain the radial dependence of material in the minimum mass solar nebula.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Unraveling emission line galaxy conformity at z ∼ 1 with DESI early data

Emission line galaxies (ELGs) are now the preeminent tracers of large-scale structure at z > 0.8 due to their high density and strong emission lines, which enable accurate redshift measurements. However, relatively little is known about ELG evolution and the ELG–halo connection, exposing us to potential modelling systematics in cosmology inference using these sources. In this paper, we use a variety of observations and simulated galaxy models to propose a physical picture of ELGs and improve ELG–halo connection modelling in a halo occupation distribution framework. We investigate Dark Energy Spectroscopic Instrument (DESI)-selected ELGs in COSMOS data, and infer that ELGs are rapidly star-forming galaxies with a large fraction exhibiting disturbed morphology, implying that many of them are likely to be merger-driven starbursts. We further postulate that the tidal interactions from mergers lead to correlated star formation in central–satellite ELG pairs, a phenomenon dubbed ‘conformity’. We argue for the need to include conformity in the ELG–halo connection using galaxy models such as IllustrisTNG, and by combining observations such as the DESI ELG autocorrelation, ELG cross-correlation with luminous red galaxies, and ELG–cluster cross-correlation. We also explore the origin of conformity using the UniverseMachine model and elucidate the difference between conformity and the well-known galaxy assembly bias effect.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Distorted spin dependent spectral function of {sup 3}He and semi-inclusive deep inelastic scattering processes

The spin dependent spectral function, relevant to describe polarized electron scattering off polarized {sup 3}He, is studied, within the Plane Wave Impulse Approximation and taking into account final state interaction effects (FSI). In particular, the case of semi-inclusive deep inelastic scattering (SiDIS) is considered, evaluating the FSI of the hadronizing quark with the nuclear remnants. It is shown that particular kinematical regions can be selected to minimize the latter effects, so that parton distributions in the neutron can be accessed. On the other side, in the regions where FSI dominates, the considered reactions can elucidate the mechanism of hadronization of quarks during the propagation in the nuclear medium. It is shown that the obtained spin dependent spectral function can be directly applied to investigate the SiDIS reaction e-vector + {sup 3}He-vector to h+X, where the hadron h originates from the current fragmentation. Experiments of this type are being performed at JLab to extract neutron transverse momentum dependent parton distributions. As a case study, a different SiDIS process, with detection of slow (A-1) systems in the final state, is considered in more details, in order to establish when nuclear structure effects and FSI can be distinguished from elementary reactions on quasi-free nucleons. It is argued that, by a proper choice of kinematics, the origin of nuclear effects in polarized DIS phenomena and the details of the interaction between the hadronizing quark and the nuclear medium can be investigated at a level which is not reachable in inclusive deep inelastic scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗