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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Cell-Type-Specific Proteomics Analysis of a Small Number of Plant Cells by Integrating Laser Capture Microdissection with a Nanodroplet Sample Processing Platform

Plant organs and tissues contain multiple cell types, which are well organized in 3-dimensional structure to efficiently perform physiological functions such as homeostasis, response to environmental perturbation, pathogen infection. It is critically important to perform molecular measurements at the cell-type-specific level to discover mechanisms and unique features of cell populations that govern differentiation and respond to external perturbations. Although mass spectrometry-based proteomics has been demonstrated as an enabling discovery tool to study plant physiology, conventional approaches require millions of cells to generate robust biological conclusions. Such requirements mask the cell-to-cell heterogeneities and limit the comprehensive profiling of plant proteins at spatially resolved and cell-type-specific resolutions. This protocol describes a recently-developed proteomics workflow for studying a small number of plant cells by integrating laser capture microdissection, microfluidic nanodroplet-based sample preparation, with ultrasensitive liquid chromatography-mass spectrometry. Using poplar as a model tree species, we provide detailed protocols, including plant tissue harvest, tissue preparation, cryosectioning, laser microdissection, protein digestion, mass spectrometry measurement, and data analysis. We show the workflow enables the precise identification and quantification of thousands of proteins from hundreds of isolated plant root and leaf cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Genetic correlations between switchgrass performance in sward conditions and surrogate measures

Switchgrass (Panicum virgatum L.) breeders use spaced-seedling plots for evaluations of biomass yield, but prior studies are ambiguous about the relationship between performance in spaced plots and commercial seeded sward performance. This study used a split-plot incomplete block design to evaluate 52 half-sib switchgrass families across two years to determine the correlations among four different plot types (including seeded swards) and four individual plant traits. Plots (1.62 m 2 ) that contained 3, 6, and 18 plants had mean yields of 5.92, 8.04, and 11.06 Mg ha –1 , respectively, while seeded-sward plots had a mean of 5.37 Mg ha –1 . In a mixed-model analysis including family-, year-, and plot-type interactions with a spatial-spline correction, the largest proportion of family variance was accounted for by the main family effect (48%), while the plot type-by-family effect was only 17% of family variance. These results indicate that spaced-plant plots are reasonable surrogates for biomass performance in sward conditions. Yield reliability was 0.50 across all plot types with a mean of 0.46 for individual plot types. Surrogates for sward yield varied due to genetic background of the families. Yield of families derived from the Liberty cultivar (n = 32) had genetic correlations with winter survivorship scores (0.66). Diverse lowland ecotype families (n = 20) had genetic correlations with plant height and heading date. This study highlighted a major difference in performance among the plot types, specifically that seeded swards have depressed yield due to high plant density. This should encourage further research for the mechanism behind this difference in performance.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Covalent surface modification of gallium arsenide photocathodes for water splitting in highly acidic electrolyte

Efficient water splitting using light as the only energy input requires stable semiconductor electrodes with favorable energetics for the water-oxidation and proton-reduction reactions. Strategies to tune electrode potentials using molecular dipoles adsorbed to the semiconductor surface have been pursued for decades but are often based on weak interactions and quickly react to desorb the molecule under conditions relevant to sustained photoelectrolysis. Here, we show that covalent attachment of fluorinated, aromatic molecules to p-GaAs(1 0 0) surfaces can be employed to tune the photocurrent onset potentials of p-GaAs(1 0 0) photocathodes and reduce the external energy required for water splitting. Results indicate that initial photocurrent onset potentials can be shifted by nearly 150 mV in pH -0.5 electrolyte under 1 Sun (1000 W m -2 ) illumination resulting from the covalently bound surface dipole. Furthermore, X-ray photoelectron spectroscopy analysis reveals that the covalent molecular dipole attachment is not robust under extended 50 h photoelectrolysis, the modified surface delays arsenic oxide formation that results in a p-GaAs(1 0 0) photoelectrode operating at a sustained photocurrent density of -20.5 mA cm -2 within -0.5 V of the reversible hydrogen electrode.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Historical and Projected Trends in Landscape Drivers Affecting Carbon Dynamics in Alaska

Modern climate change in Alaska has resulted in widespread thawing of permafrost, increased fire activity, and extensive changes in vegetation characteristics that have significant consequences for socio-ecological systems. Despite observations of the heightened sensitivity of these systems to change, there has not been a comprehensive assessment of factors that drive ecosystem changes throughout Alaska. In this paper, we present research that improves our understanding of the main drivers of the spatiotemporal patterns of carbon dynamics using in situ observations, remote sensing data, and an array of modeling techniques. In the last 60 years, Alaska has seen a large increase in mean annual air temperature (1.7 °C), with the greatest warming occurring over winter and spring. Warming trends are projected to continue throughout the 21st century and will likely result in landscape-level changes to ecosystem structure and function. Wetlands, mainly bogs and fens, which are currently estimated to cover 12.5% of the landscape, strongly influence exchange of methane between Alaska's ecosystems and the atmosphere and are expected to be affected by thawing permafrost and shifts in hydrology. Simulations suggest the current proportion of near-surface (within 1 m) and deep (within 5 m) permafrost extent will be reduced by 9–74% and 33–55% by the end of the 21st century, respectively. Since 2000, an average of 678,595 ha/yr was burned, more than twice the annual average during 1950–1999. The largest increase in fire activity is projected for the boreal forest, which could result in a reduction in late-successional spruce forest (8–44%) and an increase in early-succession deciduous forest (25–113%) that would mediate future fire activity and weaken permafrost stability in the region. Climate warming will also affect vegetation communities across arctic regions, where the coverage of deciduous forest could increase (223–620%), shrub tundra may increase (4–21%), and graminoid tundra might decrease (10–24%). Finally, this study sheds light on the sensitivity of Alaska's ecosystems to change that has the potential to significantly affect local and regional carbon balance, but more research is needed to improve estimates of land-surface and subsurface properties, and to better account for ecosystem dynamics affected by a myriad of biophysical factors and interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Oxidative Dehydrogenation of Ethane: A Chemical Looping Approach

The current study investigates a chemical-looping-based oxidative dehydrogenation (CL-ODH) concept for ethane-to-ethylene conversion. In this cyclic redox scheme, an oxide-based redox catalyst is used to selectively combust hydrogen from ethane dehydrogenation. As the hydrogen product limits ethane conversion, in situ oxidation of hydrogen enhances the ethane conversion and ethylene yield. Moreover, heat required in ODH is compensated by re-oxidation of the oxygen-deprived redox catalyst, enabling auto-thermal operation for the overall process. Compared to steam cracking, CL-ODH can potentially achieve higher efficiency with lower CO 2 and NO x emissions. Silica and magnesia-supported manganese oxides are investigated. It is determined that unpromoted Mn/SiO 2 and Mn/MgO redox catalysts exhibit low selectivity towards ethylene. The addition of promoters such as sodium and tungsten renders effective redox catalysts with satisfactory activity, selectivity, oxygen carrying capacity, and redox stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Assessment of municipal solid waste for valorization into biofuels

Abstract Almost 36 million tons of paper and yard trimmings are not currently being recycled or composted annually and likely end up in landfills. One approach to valorize these resources would be for biofuels production. Nonrecyclable municipal solid waste (MSW) paper and yard trimmings were assessed for their suitability as feedstocks to produce biofuels from sugars. Both materials met the cost target of less than $85.51/ton ($2016) with MSW paper ranging from $36.40 to $62.18/dry ton and grass clippings from $25.64 to $45.86/dry ton. MSW paper exceeded the carbohydrate requirement of 59% while grass clippings had significantly lower amounts of carbohydrates (30%). However, both types of MSW had ash contents significantly above the required 5% total ash with paper at 22% ash and grass clippings at 16%. While neither waste material was individually found to be suitable for biofuels production based on compositional requirements, it was determined that blending either waste with corn stover would produce materials that met carbohydrate, ash, and cost targets. The higher carbohydrate and lower ash stover compensated for the lower carbohydrates and high ash of the waste materials, while the lower cost waste materials offset the higher cost of corn stover.

09 BIOMASS FUELS↗
DOE OSTI2015

The International Surface Pressure Databank version 2

The International Surface Pressure Databank (ISPD) is the world's largest collection of global surface and sea-level pressure observations. It was developed by extracting observations from established international archives, through international cooperation with data recovery facilitated by the Atmospheric Circulation Reconstructions over the Earth (ACRE) initiative, and directly by contributing universities, organizations, and countries. The dataset period is currently 1768–2012 and consists of three data components: observations from land stations, marine observing systems, and tropical cyclone best track pressure reports. Version 2 of the ISPD (ISPDv2) was created to be observational input for the Twentieth Century Reanalysis Project (20CR) and contains the quality control and assimilation feedback metadata from the 20CR. Since then, it has been used for various general climate and weather studies, and an updated version 3 (ISPDv3) has been used in the ERA-20C reanalysis in connection with the European Reanalysis of Global Climate Observations project (ERA-CLIM). The focus of this paper is on the ISPDv2 and the inclusion of the 20CR feedback metadata. The Research Data Archive at the National Center for Atmospheric Research provides data collection and access for the ISPDv2, and will provide access to future versions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Strong parallel evidence of selection during switchgrass sward establishment in hybrid and lowland ecotypes

Switchgrass sward establishment results in up to 90% seedling mortality. The degree of selection during sward establishment has not been reported using modern genetic methods. Pooled leaf samples were sequenced from replicated swards of 46 half-sib families from two breeding groups (lowland and hybrid) before and through 3 years of stand establishment. Pooled allele frequencies were then assessed using fixation indices (Fst) and an independent data set was used to predict the polygenic impact of establishment selection on two traits (heading date and winter survivorship). Last, the DNA pools were assigned survival rankings to predict the sward survival genomically estimated breeding values within the training data set. Strong and parallel selection occured in both breeding groups. Five genomic regions exceeded the significant threshold of 99.9% in >10 families, indicating consistent selection across families and breeding groups. Polygenic trait predictions determined that establishment selection was partially associated with winter survivorship but resulted in variable heading date alterations. The genomewide variation is consistent with selection for a small number of related parental lines. This study observed strong selection for a small number of hybrid and coastal ecotype individuals which are promising germplasm sources for improved sward survival. This confirms prior reports of sward selection during grassland establishment and highlights the strength of pooled DNA sequencing for survival traits.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Switchgrass sward establishment selection is consistent across multiple environments and fertilization levels

Strong selection can occur during switchgrass sward establishment. Differences in establishment selection due to environment or management could provide information on genotype-by-environment variation and could influence strategies for breeding perennial grasses. Leaf samples were collected before sward establishment and from 3-year-old swards for two breeding groups (lowland and hybrid) at three locations. Within two locations, samples were collected from paired fertilized (112 kg N ha –1 ) and unfertilized plots. Allele frequencies from pooled DNA samples were studied through multivariate analysis of variance, genomewide trait predictions (heading date and winter survivorship), and genomically estimated breeding values (GEBVs) for individual sward survival within an independent data set. This study found only minor variations in selection due to location or management. Predicted heading dates of the hybrid population had significant changes due to fertilization and location. There were strong correlations among sward establishment survival GEBVs between growing environments (hybrid r = 0.77; gulf r = 0.97). Interestingly, this study found a small number of genotypes that were over-represented in established swards across all growing environments. This study reinforces a prior report of selection during sward establishment and indicates that only a small degree of establishment selection is location-specific within these diverse growing conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Spectroscopic pressure investigation of a novel high energy system

This work here combines a novel multimodal spectroscopic technique, O–PTIR and Raman spectroscopy, which allows for the simultaneous collection of infrared and Raman spectra, with traditional diamond anvil cell techniques to explore pressure induced phase transitions in a high energy material. Two phase transitions are revealed, with the first transition emerging below 0.23 GPa, to a higher order phase, followed by a broad transition to a lower order phase. Aside from the pressure studies, hyperspectral imaging was performed, confirming the homogeneous nature of the system.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A global coupled ensemble data assimilation system using the Community Earth System Model and the Data Assimilation Research Testbed

In this paper, we present a description of the CESM/DART ensemble coupled data assimilation (DA) system based on the Community Earth System Model (CESM) and the Data Assimilation Research Testbed (DART) assimilation software. The CESM/DART should be viewed as a flexible system to support the DA needs of the CESM research community and not as a static reanalysis product. In this implementation of the CESM/DART, conventional insitu observations of the ocean and atmosphere are assimilated into the respective component models of the CESM using a 30-member ensemble adjustment Kalman filter (EAKF). CESM/DART is run in a “weakly coupled” configuration wherein observations native to each climate system component only directly impact the state vector for that component. Information is passed between components indirectly through the short-term coupled model forecasts that provide the EAKF background ensemble. This system leverages previous ensemble DA development for the Community Atmosphere Model and Parallel Ocean Program models using the DART EAKF. The CESM/DART project is a step towards providing increasingly useful DA capabilities for the CESM research community. Results are presented for our prototype 12-year reanalysis, run from 1970 to mid 1982. Multiple lines of evidence demonstrate that the system is capable of constraining the CESM coupled model to simulate the historical variability of the climate system in the well-observed Northern Hemisphere. A collection of monthly average variables, climate mode indices, observation diagnostics and snapshots of synoptic weather in the ocean and atmosphere are compared to established datasets, showing especially good agreement in the Northern Hemisphere. A discussion of the CESM/DART as a modular, community facility and the benefits and challenges associated with this vision is also included.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Response of the Quasi–Biennial Oscillation to a warming climate in global climate models

We compare the response of the Quasi–Biennial Oscillation (QBO) to a warming climate in eleven atmosphere general circulation models that performed time–slice simulations for present–day, doubled, and quadrupled CO 2 climates. No consistency was found among the models for the QBO period response, with the period decreasing by 8 months in some models and lengthening by up to 13 months in others in the doubled CO 2 simulations. In the quadrupled CO 2 simulations, a reduction in QBO period of 14 months was found in some models, whereas in several others the tropical oscillation no longer resembled the present–day QBO, although it could still be identified in the deseasonalized zonal mean zonal wind timeseries. In contrast, all the models projected a decrease in the QBO amplitude in a warmer climate with the largest relative decrease near 60 hPa. In simulations with doubled and quadrupled CO 2 , the multi–model mean QBO amplitudes decreased by 36 and 51%, respectively. Across the models the differences in the QBO period response were most strongly related to how the gravity wave momentum flux entering the stratosphere and tropical vertical residual velocity responded to the increases in CO 2 amounts. Likewise it was found that the robust decrease in QBO amplitudes was correlated across the models to changes in vertical residual velocity, parametrized gravity wave momentum fluxes, and to some degree the resolved upward wave flux. Here, we argue that uncertainty in the representation of the parameterized gravity waves is the most likely cause of the spread among the eleven models in the QBO's response to climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Teleconnections of the Quasi–Biennial Oscillation in a multi–model ensemble of QBO–resolving models

The quasi-biennial oscillation (QBO) dominates the interannual variability of the tropical stratosphere and influences other regions of the atmosphere. The high predictability of the QBO implies that its teleconnections could lead to in-creased skill of seasonal and decadal forecasts provided the relevant mechanisms are accurately represented in models. Here modelling and sampling uncertainties of QBO teleconnections are examined using a multi-model ensemble of QBO-resolving atmospheric general circulation models that have carried out a set of coordinated experiments as part of the Stratosphere-troposphere Processes And their Role in Climate (SPARC) QBO initiative (QBOi). During Northern Hemisphere winter the stratospheric polar vortex in most of these models strengthens when the QBO near 50 hPa is westerly and weakens when it is easterly, consistent with, but weaker than, the observed response. These weak responses are likely due to model errors, such as systematically weak QBO amplitudes near 50 hPa, affecting the teleconnection. The teleconnection to the North Atlantic Oscillation is less well captured overall, but of similar strength to the observed signal in the few models that do show it. Furthermore, the models do not show clear evidence of a QBO teleconnection to the Northern Hemisphere Pacific sector subtropical jet.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Definition of a new (Doniach-Sunjic-Shirley) peak shape for fitting asymmetric signals applied to reduced graphene oxide/graphene oxide XPS spectra

The existence of asymmetry in X-ray photoelectron spectroscopy (XPS) photoemission lines is widely accepted, but line shapes designed to accommodate asymmetry are generally lacking in theoretical justification. Here in this work, we present a new line shape for describing asymmetry in XPS signals that is based on two facts. First, the most widely known line shape for fitting asymmetric XPS signals that has a theoretical basis, referred to as the Doniach-Sunjic (DS) line shape, suffers from a mathematical inconvenience, which is that for asymmetric shapes the area beneath the curve (above the x-axis) is infinite. Second, it is common practice in XPS to remove the inelastically scattered background response of a peak in question with the Shirley algorithm. The new line shape described herein attempts to retain the theoretical virtues of the DS line shape, while allowing the use of a Shirley background, with the consequence that the resulting line shape has a finite area. To illustrate the use of this Doniach-Sunjic-Shirley (DSS) line shape, a set of spectra obtained from varying amounts of graphene oxide (GO) and reduced GO on a patterned, heterogeneous surface are fit and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Surface analysis insight note: Synthetic line shapes, integration regions and relative sensitivity factors

Here, methods for estimating photoemission intensity from X-ray photoelectron spectroscopy data are examined. The role played by “synthetic” bell-shaped curves, integration intervals, background curves, and the use of relative sensitivity factors (RSFs) in reporting percentage atomic concentration for a sample is presented. In particular, photoemission lines with differing energy distributions obtained from the NaCl sample surface are used to demonstrate how a comparison of photoemission intensities is dependent on the line shapes, background curves, and appropriate use of RSFs.

42 ENGINEERING↗
DOE OSTI2022

Surface analysis insight note: Differentiation methods applicable to noisy data for determination of sp2‐ versus sp3‐hybridization of carbon allotropes and AES signal strengths

The derivatives of the spectra are commonly used for quantification in Auger Electron Spectroscopy (AES) spectra, while the derivative of the KLL C Auger line has proven to be valuable in obtaining a measure of the relative proportions of sp 2 ‐ and sp 3 ‐hybridization using the D‐parameter in both AES and X‐ray Photoelectron Spectroscopy (XPS). Differentiation of X‐ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES) spectra by numerical means is presented and illustrated for polymeric, such as PEEK and Nylon, as well as for graphitic materials including highly ordered pyrolytic graphite and graphene oxide. The most commonly available Savitzky–Golay method is explained mathematically and developed through the case of constructing a 5‐point quadratic polynomial convolution kernel suitable for differentiating spectra of adequate signal to noise. The concept of differentiation of spectra where signal to noise is less than adequate is also developed. Two alternative strategies to Savitzky–Golay differentiation are presented, which fit curves to data that allow derivatives to be obtained where Savitzky–Golay would otherwise fail. These alternative methods involve constructing a parametric curve that fits data over the entire energy interval of interest. Derivatives of spectra are then obtained by differentiating these parametric curves directly. A comparison of results for different materials for which specific sp 2 ‐ vs sp 3 ‐hybridized carbon proportions are of interest is used to emphasize the importance of characterizing methods used to differentiate spectra and understanding the characteristics of instrumentation used to measure spectra. The case for using Principal Component Analysis noise reduction with C KLL spectra is made for spectra collected from a heterogeneous graphene oxide sample.

Fairley, Neal↗
DOE OSTI2023

Surface analysis insight note: Illustrating the effect of adventitious contamination on Pt photoemission peak intensities

Adventitious carbon contaminations are not only omnipresent and used for charge referencing of XPS spectra but also can alter the apparent presence of the element peaks that span over the large spectral window of binding energies. This Insight note describes the effect of an adventitious contamination layer on Pt and presents, in brief, the approach whereby the component spectra are derived for ion beam cleaned Pt samples that can then utilize linear mathematics to peak fit said spectra thus quantifying the amount of each component including that assigned to the contamination itself of Pt metal.

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

Surface Analysis Insight Note: Observations relating to photoemission peak shapes, oxidation state, and chemistry of titanium oxide films

It is common practice to describe the coordination of metal atoms in a binding configuration with their nearest neighbors in terms of oxidation state, a measure by which the number of electrons redistributed between atoms forming chemical bonds. In XPS terms, change to an oxidation state is commonly inferred by correlating photoemission signal with binding energy. The assumption, when classifying photoemission signals into distinct spectral shapes, is that a distribution of intensities shifted to lower binding energy is evidence of a reduction in oxidation state. In this Insight note, we raise the prospect that changes in photoemission peak shape may occur without obvious changes, determined by XPS in stoichiometry for a material. It is well known that TiO 2 measured by XPS yields reproducible Ti 2p photoemission peaks. However, on exposing TiO 2 to ion beams, Ti 2p photoemission evolves to complex distributions in intensity, which are particularly difficult to analyze by traditional fitting of bell-shaped curves to these data. For these reasons, in this Insight note, a thin film of TiO 2 deposited on a silicon substrate is chosen for analysis by XPS and linear algebraic techniques. Alterations in spectral shapes created from modified TiO 2 , which might be interpreted as the change in oxidation state, are assessed in terms of relative proportions of titanium to oxygen. It is found through detailed analysis of spectra that quantification by XPS, using procedures routinely used in practice, is not in accord with the typical interpretations of photoemission shapes. The data processing methods used and results presented in this work are of particular relevance to elucidating fundamental phenomena governing the surface evolution of materials-enabled energy processes where cyclic/non-steady usage changes the nature of bonding, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗