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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Use of local noise power spectrum and wavelet analysis in quantitative image quality assurance for EPIDs

Purpose: To investigate the use of local noise power spectrum (NPS) to characterize image noise and wavelet analysis to isolate defective pixels and inter-subpanel flat-fielding artifacts for quantitative quality assurance (QA) of electronic portal imaging devices (EPIDs). Methods: A total of 93 image sets including custom-made bar-pattern images and open exposure images were collected from four iViewGT a-Si EPID systems over three years. Global quantitative metrics such as modulation transform function (MTF), NPS, and detective quantum efficiency (DQE) were computed for each image set. Local NPS was also calculated for individual subpanels by sampling region of interests within each subpanel of the EPID. The 1D NPS, obtained by radially averaging the 2D NPS, was fitted to a power-law function. The r-square value of the linear regression analysis was used as a singular metric to characterize the noise properties of individual subpanels of the EPID. The sensitivity of the local NPS was first compared with the global quantitative metrics using historical image sets. It was then compared with two commonly used commercial QA systems with images collected after applying two different EPID calibration methods (single-level gain and multilevel gain). To detect isolated defective pixels and inter-subpanel flat-fielding artifacts, Haar wavelet transform was applied on the images. Results: Global quantitative metrics including MTF, NPS, and DQE showed little change over the period of data collection. On the contrary, a strong correlation between the local NPS (r-square values) and the variation of the EPID noise condition was observed. The local NPS analysis indicated image quality improvement with the r-square values increased from 0.80 ± 0.03 (before calibration) to 0.85 ± 0.03 (after single-level gain calibration) and to 0.96 ± 0.03 (after multilevel gain calibration), while the commercial QA systems failed to distinguish the image quality improvement between the two calibration methods. With wavelet analysis, defective pixels and inter-subpanel flat-fielding artifacts were clearly identified as spikes after thresholding the inversely transformed images. Conclusions: The proposed local NPS (r-square values) showed superior sensitivity to the noise level variations of individual subpanels compared with global quantitative metrics such as MTF, NPS, and DQE. Wavelet analysis was effective in detecting isolated defective pixels and inter-subpanel flat-fielding artifacts. The proposed methods are promising for the early detection of imaging artifacts of EPIDs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Quality Assessments of Long-Term Quantitative Proteomic Analysis of Breast Cancer Xenograft Tissues

The identification of protein biomarkers requires large-scale analysis of human specimens to achieve statistical significance. In this study, we evaluated the long-term reproducibility of an iTRAQ (isobaric tags for relative and absolute quantification) based quantitative proteomics strategy using one channel for universal normalization across all samples. A total of 307 liquid chromatography tandem mass spectrometric (LC-MS/MS) analyses were completed, generating 107 one-dimensional (1D) LC-MS/MS datasets and 8 offline two-dimensional (2D) LC-MS/MS datasets (25 fractions for each set) for human-in-mouse breast cancer xenograft tissues representative of basal and luminal subtypes. Such large-scale studies require the implementation of robust metrics to assess the contributions of technical and biological variability in the qualitative and quantitative data. Accordingly, we developed a quantification confidence score based on the quality of each peptide-spectrum match (PSM) to remove quantification outliers from each analysis. After combining confidence score filtering and statistical analysis, reproducible protein identification and quantitative results were achieved from LC-MS/MS datasets collected over a 16 month period.

Environmental Molecular Sciences Laboratory↗
NASA NTRS2006

Calibration Issues and Operating System Requirements for Electron-Probe Microanalysis

Instrument purchase requirements and dialogue with manufacturers have established hardware parameters for alignment, stability, and reproducibility, which have helped improve the precision and accuracy of electron microprobe analysis (EPMA). The development of correction algorithms and the accurate solution to quantitative analysis problems requires the minimization of systematic errors and relies on internally consistent data sets. Improved hardware and computer systems have resulted in better automation of vacuum systems, stage and wavelength-dispersive spectrometer (WDS) mechanisms, and x-ray detector systems which have improved instrument stability and precision. Improved software now allows extended automated runs involving diverse setups and better integrates digital imaging and quantitative analysis. However, instrumental performance is not regularly maintained, as WDS are aligned and calibrated during installation but few laboratories appear to check and maintain this calibration. In particular, detector deadtime (DT) data is typically assumed rather than measured, due primarily to the difficulty and inconvenience of the measurement process. This is a source of fundamental systematic error in many microprobe laboratories and is unknown to the analyst, as the magnitude of DT correction is not listed in output by microprobe operating systems. The analyst must remain vigilant to deviations in instrumental alignment and calibration, and microprobe system software must conveniently verify the necessary parameters. Microanalysis of mission critical materials requires an ongoing demonstration of instrumental calibration. Possible approaches to improvements in instrument calibration, quality control, and accuracy will be discussed. Development of a set of core requirements based on discussions with users, researchers, and manufacturers can yield documents that improve and unify the methods by which instruments can be calibrated. These results can be used to continue improvements of EPMA.

Carpenter, P.↗
DOE OSTI2018

Water penetration through cracks in self-healing cementitious materials with superabsorbent polymers studied by neutron radiography

SuperAbsorbent Polymers (SAPs) are a promising admixture to obtain self-sealing and self-healing cementitious materials. They are able to physically block water penetration through cracks due to their swelling ability. This is very useful in a cementitious material which is prone to cracking leading to a reduced durability. The effectiveness of counteracting water penetration is of concern. Neutron radiography was performed in order to investigate the influence of SAPs on the water permeability through healed cracks with respect to a reference material without SAPs. The gravimetrically measured capillary absorption corresponded with the obtained results after image analysis and a quantitative analysis could be made. SAPs enhance the water impermeability and are able to seal and heal a crack effectively up to 100 μm. The healing was a main factor to impede water movement through cracks. This will lead to less water ingress in building infrastructures and a possible longer service life.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis and prediction of reaction kinetics using the degree of rate control

“Degree of rate control” (DRC) analysis provides a quantitative approach for analysing the kinetics of multi-step reaction mechanisms that has been widely applied to both heterogeneous and homogeneous catalysis research, as well as electrocatalysis. The DRC of any given transition state or intermediate is defined as a partial derivative such that it approximately equals the fractional increase in net rate to the product of interest per differential decrease in its standard-state free energy for that species (÷RT), holding constant the standard-state free energies of all other transition states and intermediates. Even very complex mechanisms usually have only a few species with non-zero DRCs and are thus the species whose interactions with the catalyst most strongly affect the net rate. These key DRC values thus offer a simple and intuitive route to optimize catalyst materials, especially with the assistance of computational methods like density functional theory (DFT). These high-DRC species are also the species whose energetics must be most accurately measured or calculated to achieve an accurate kinetic model for any reaction mechanism. In simple cases with a single “rate-determining step”, the DRC for its transition state (TS) is + 1. Catalyst-bound intermediates, on the other hand, often have negative DRCs equal to a small integer times their fractional occupancy of catalyst sites. The apparent activation energy equals a weighted average of the standard-state enthalpies (relative to reactants) of all the species (intermediates, transition states and products) in the reaction mechanism, each weighted by its DRC (+RT). It has been shown that the apparent transfer coefficient in electrocatalysis, an inverted form of the Tafel slope, is a weighted average of the number of electrons transferred to generate each intermediate or product species in the mechanism, weighted again by the DRC. Quantitative analysis of kinetic isotope effects (KIEs, or the ratio of net rates for different reactant isotopes) in complex mechanisms has shown that the logarithm of the KIE equals the weighted average over all species in the mechanism of the difference between the two isotopes in their standard-state free energies (÷RT), again weighted by the DRC. The reaction orders with respect to fluid-phase concentrations of reactants, products and intermediates have also been proven to be directly related to DRCs. Thus, there are numerous experimental observables which equate to short linear combinations of DRCs, so that combinations of experimental measurements might provide access to DRC values. Since its invention for transition states in 1994 and its generalization to include intermediates in 2009, the DRC has thus far mainly been calculated for microkinetic models based either entirely on DFT or on DFT with the key energies (i.e., those for high-DRC species) being fine-tuned to match experiments. The relationships summarized in this work provide new opportunities for using experiments earlier in the development and optimization of microkinetic models that require input from computational catalysis.

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

Rapid, Untargeted Chemical Profiling of Single Cells in Their Native Environment

We report a method that enables untargeted, high throughput, and quantitative mass spectrometric analysis of single cells from cell suspension without needing additional sample preparation procedures (e.g., molecular tagging) through the combination of single-cell printer technology and liquid vortex capture–mass spectrometry (SCP-LVC-MS). The operating principle behind the SCP-LVC-MS technology is single cell isolation via small droplet piezoelectric ejection followed by capture of the droplet into an LVC-MS sampling probe. Once exposed to an appropriate solvent, the cell is lysed, extracted, and analyzed by MS. The SCP-LVC-MS approach was validated by measuring the lipid composition of microalgae, Chlamydomonas reinhardtii (ChRe) and Euglena gracilis (EuGr), and HeLa cells in their native growth media. Numerous diacylglyceryltrimethylhomo-Ser (DGTS), phosphatidylcholine (PC), monogalactosyldiacylglycerol (MGDG), and digalactosyldiacylglycerol (DGDG) lipids were observed in single cells. Continuous solvent flow ensures that cells are analyzed rapidly, and no signal carryover between cells is observed. ChRe and EuGr microalgae mixed together in the same solution were differentiated cell-by-cell in real-time based on differences between levels of diacylglyceryltrimethylhomo-Ser (DGTS) and phosphatidylcholine (PC) lipids measured in each cell. Several DGTS lipids present in ChRe were quantified with single-cell resolution by normalizing to a DGTS(32:0) internal standard added to the LVC probe solvent during analysis. Quantitative peak areas were validated by comparing to bulk lipid extracts. Furthermore, peak area distributions comprised of hundreds of cells were compared for ChRe after 5 days of nitrogen-limited and normal growth conditions, which show clear differences and the ability to resolve cellular population differences with single-cell resolution.

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

UT-GOM2-1 Hydrate Pressure Coring Expedition: Chapter 3. Hole GC 955 H002

This report describes the operations, sample collection and handling, initial analyses, and preliminary interpretations developed by the UT-GOM2-1 Science Party for Hole GC 955 H002 (H002). This chapter describes the results of H002 pressure coring, physical property analysis, quantitative degassing, lithostratigraphic analysis, geochemical analysis, and wireline logging. All methods are described in Chapter 2 Expedition Methods.

03 NATURAL GAS↗
DOE OSTI2018

UT-GOM2-1: Chapter 4. Hole GC 955 H005

This report describes the operations, sample collection and handling, initial analyses, and preliminary interpretations developed by the UT-GOM2-1 Science Party for Hole GC 955 H005 (H005). This chapter describes H005 pressure coring, physical property analysis, quantitative degassing, lithostratigraphic analysis, geochemical analysis, and wireline logging. All methods are described in Chapter 2 Expedition Methods

03 NATURAL GAS↗
DOE OSTI2024

A General Materials Data Science Framework for Quantitative 2D Analysis of Particle Growth from Image Sequences

Abstract Phase transformations are a challenging problem in materials science, which lead to changes in properties and may impact performance of material systems in various applications. We introduce a general framework for the analysis of particle growth kinetics by utilizing concepts from machine learning and graph theory. As a model system, we use image sequences of atomic force microscopy showing the crystallization of an amorphous fluoroelastomer film. To identify crystalline particles in an amorphous matrix and track the temporal evolution of the particle dispersion, we have developed quantitative methods of 2D analysis. 700 image sequences were analyzed using a neural network architecture, achieving 0.97 pixel-wise classification accuracy as a measure of the correctly classified pixels. The growth kinetics of isolated and impinged particles were tracked throughout time using these image sequences. The relationship between image sequences and spatiotemporal graph representations was explored to identify the proximity of crystallites from each other. The framework enables the analysis of all image sequences without the requirement of sampling for specific particles or timesteps for various materials systems.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Communication—Quantitative Voltammetric Analysis of High Concentration Actinides in Molten Salts

Previous electroanalytical studies have shown that cyclic voltammetry can provide accurate quantitative measurements of actinide concentrations at low weight loadings in molten salts. However, above 2 wt%, the techniques were found to underpredict the concentrations of the reactant species. Here this work will demonstrate that much of the discrepancy is caused by uncompensated resistance and cylindrical diffusion. An improved electroanalytical approach has therefore been developed using the results of digital simulations to take these effects into account. This approach allows for accurate electroanalytical predictions across the full range of weight loadings expected to be encountered in operational nuclear fuel processing equipment.

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

Quantitative Biostratigraphic Analysis and Age Estimates of Middle Cretaceous Sequences in The Baltimore Canyon Trough, Offshore Mid-Atlantic U.S. Margin

ABSTRACT We applied quantitative methods to previously published biostratigraphic data from the Baltimore Canyon Trough (offshore of the Mid-Atlantic U.S.A.) to provide an improved chronostratigraphic framework for Cretaceous sequences. Here, we successfully used graphic correlation of 228 planktonic foraminifera, nannofossil, and palynological events spanning 22 wells to define assemblage and interval zones as well as major paleoenvironmental changes in the Dawson Canyon, Logan Canyon (three sequences), and Missisauga Formations (two sequences, undifferentiated here). Ranking and scaling techniques were not successful because of the of the limited number of usable biostratigraphic markers. The ages of the sequences previously identified using well logs and seismic profiles were temporally constrained based on chronostratigraphically significant biostratigraphic markers that we identified: the late Cenomanian to Turonian DCx sequence (Rotalipora cushmani and Thalmanninella greenhornensis); the early Cenomanian LC1 sequence; the middle and late Albian LC2 sequence (Braarudosphaera africana, Planomalina buxtorfi, and Spinidinium vestitum); the late Aptian LC3 sequence (Cyclonephelium tabulatum); and the early Aptian to Barremian Missisauga sequences (Aptea anaphrissa, Pseudoceratium pelliferum, and Muderongia simplex). These five biostratigraphic associations are correlated with six prominent seismic reflectors and sequence boundaries that can be traced across the basin. Duration of hiatuses associated with these sequence boundaries are uncertain, though our Monte Carlo analysis allows extraction of age estimates from broad and sometimes contradictory ranges and suggests correlation of hiatuses with global sea-level falls. Together, these seismic and biostratigraphic interpretations can be applied (1) to evaluate reservoir continuity and the viability of offshore carbon storage reservoirs in the Baltimore Canyon Trough, (2) to better define the tectonostratigraphic evolution of the basin, and (3) to contribute to the understanding of regional and global variations in Cretaceous sea level.

Paleontology↗
DOE OSTI2017

Development of a Low-Level 39Ar Calibration Standard – Analysis by Absolute Gas Counting Measurements Augmented with Simulation

This paper describes the generation of 39Ar, via reactor irritation of potassium carbonate, followed by quantitative analysis (length-compensated proportional counting) to yield calibration standards that are approximately 50 and 3 times atmospheric background levels. Measurements were performed in Pacific Northwest National Laboratory’s shallow underground counting laboratory studying the effect of gas density on beta-transport; these results are compared with simulation. The total expanded uncertainty of the specific activity for the ~50x 39Ar in P10 standard is 3.6% (k=2).

Absolute radiation measurement↗
DOE OSTI2017

Immediate drop on demand technology (I-DOT) coupled with mass spectrometry via an open port sampling interface

Here, the immediate drop on demand technology to a mass spectrometer via the recently introduced open port sampling interface and ESI. A maximum sample analysis throughput of 5 s per sample was demonstrated. Signal reproducibility was 10% or better as demonstrated by the quantitative analysis of propranolol and its stable isotope-labeled internal standard propranolol-d7. The ability of the system to multiply charge and analyze macromolecules was demonstrated using the protein cytochrome c. In conclusion, this immediate drop on demand technology/open port sampling interface/ESI–MS combination allowed for the quantitative analysis of relatively small mass analytes and was used for the identification of macromolecules like proteins.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

A temperature-controlled photoelectrochemical cell for quantitative product analysis

In this study, we describe the design and operation of a temperature-controlled photoelectrochemical cell for analysis of gaseous and liquid products formed at an illuminated working electrode. This cell is specifically designed to quantitatively analyze photoelectrochemical processes that yield multiple gas and liquid products at low current densities and exhibit limiting reactant concentrations that prevent these processes from being studied in traditional single chamber electrolytic cells. The geometry of the cell presented in this paper enables front-illumination of the photoelectrode and maximizes the electrode surface area to electrolyte volume ratio to increase liquid product concentration and hence enhances ex situ spectroscopic sensitivity toward them. Gas is bubbled through the electrolyte in the working electrode chamber during operation to maintain a saturated reactant concentration and to continuously mix the electrolyte. Gaseous products are detected by an in-line gas chromatograph, and liquid products are analyzed ex situ by nuclear magnetic resonance. Cell performance was validated by examining carbon dioxide reduction on a silver foil electrode, showing comparable results both to those reported in the literature and identical experiments performed in a standard parallel-electrode electrochemical cell. Furthermore, to demonstrate a photoelectrochemical application of the cell, CO 2 reduction experiments were carried out on a plasmonic nanostructured silver photocathode and showed different product distributions under dark and illuminated conditions.

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

Large-Scale and Deep Quantitative Proteome Profiling Using Isobaric Labeling Coupled with Two-Dimensional LC-MS/MS

Comprehensive, quantitative information on abundances of proteins and their post-translational modifications (PTMs) can potentially provide novel biological insights into diseases pathogenesis and therapeutic intervention. Herein, we introduce a quantitative strategy utilizing isobaric stable isotope-labelling techniques combined with two-dimensional liquid chromatography-tandem mass spectrometry (2D-LC-MS/MS) for large-scale, deep quantitative proteome profiling of biological samples or clinical specimens such as tumor tissues. The workflow includes isobaric labeling of tryptic peptides for multiplexed and accurate quantitative analysis, basic reversed-phase LC fractionation and concatenation for reduced sample complexity, and nano-LC coupled to high resolution and high mass accuracy MS analysis for high confidence identification and quantification of proteins. This proteomic analysis strategy has been successfully applied for in-depth quantitative proteomic analysis of tumor samples, and can also be used for integrated proteome and PTM characterization, as well as comprehensive quantitative proteomic analysis across samples from large clinical cohorts.

Environmental Molecular Sciences Laboratory↗
NASA NTRS1997

Digital storage and analysis of color Doppler echocardiograms

Color Doppler flow mapping has played an important role in clinical echocardiography. Most of the clinical work, however, has been primarily qualitative. Although qualitative information is very valuable, there is considerable quantitative information stored within the velocity map that has not been extensively exploited so far. Recently, many researchers have shown interest in using the encoded velocities to address the clinical problems such as quantification of valvular regurgitation, calculation of cardiac output, and characterization of ventricular filling. In this article, we review some basic physics and engineering aspects of color Doppler echocardiography, as well as drawbacks of trying to retrieve velocities from video tape data. Digital storage, which plays a critical role in performing quantitative analysis, is discussed in some detail with special attention to velocity encoding in DICOM 3.0 (medical image storage standard) and the use of digital compression. Lossy compression can considerably reduce file size with minimal loss of information (mostly redundant); this is critical for digital storage because of the enormous amount of data generated (a 10 minute study could require 18 Gigabytes of storage capacity). Lossy JPEG compression and its impact on quantitative analysis has been studied, showing that images compressed at 27:1 using the JPEG algorithm compares favorably with directly digitized video images, the current goldstandard. Some potential applications of these velocities in analyzing the proximal convergence zones, mitral inflow, and some areas of future development are also discussed in the article.

NASA Discipline Cardiopulmonary↗
DOE OSTI2016

Quantifying element incorporation in multispecies biofilms using nanoscale secondary ion mass spectrometry image analysis

Elucidating nutrient exchange in microbial communities is an important step in understanding the relationships between microbial systems and global biogeochemical cycles, but these communities are complex and the interspecies interactions that occur within them are not well understood. Phototrophic consortia are useful and relevant experimental systems to investigate such interactions as they are not only prevalent in the environment, but some are cultivable in vitro and amenable to controlled scientific experimentation. Nanoscale secondary ion mass spectrometry (NanoSIMS) is a powerful, high spatial resolution tool capable of visualizing the metabolic activities of single cells within a biofilm, but quantitative analysis of the resulting data has typically been a manual process, resulting in a task that is both laborious and susceptible to human error. In this work, the authors describe the creation and application of a semiautomated image-processing pipeline that can analyze NanoSIMS-generated data, applied to phototrophic biofilms as an example. The tool employs an image analysis process, which includes both elemental and morphological segmentation, producing a final segmented image that allows for discrimination between autotrophic and heterotrophic biomass, the detection of individual cyanobacterial filaments and heterotrophic cells, the quantification of isotopic incorporation of individual heterotrophic cells, and calculation of relevant population statistics. The authors demonstrate the functionality of the tool by using it to analyze the uptake of 15 N provided as either nitrate or ammonium through the unicyanobacterial consortium UCC-O and imaged via NanoSIMS. The authors found that the degree of 15N incorporation by individual cells was highly variable when labeled with 15 NH 4 + , but much more even when biofilms were labeled with 15 NO 3 – . In the 15 NH 4 + -amended biofilms, the heterotrophic distribution of 15 N incorporation was highly skewed, with a large population showing moderate 15 N incorporation and a small number of organisms displaying very high 15 N uptake. The results showed that analysis of NanoSIMS data can be performed in a way that allows for quantitation of the elemental uptake of individual cells, a technique necessary for advancing research into the metabolic networks that exist within biofilms with statistical analyses that are supported by automated, user-friendly processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Inventory Data Package for the Hanford Site Composite Analysis

The disposed inventory estimate is perhaps the most important component of the composite analysis (CA), as it directly affects the future radiological impacts following site closure. The goal is to estimate radionuclide inventory from site inception to closure. Because of the inclusive nature of a CA, all relevant contaminants are identified and initially considered. Then, subsets of contaminants appropriate for quantitative analysis are selected. Reducing the number of radionuclides for inclusion in the quantitative analysis helps focus budget and resources on simulating only those radionuclides that are likely to contribute to the total dose to the receptor above a threshold value. Inventory is reported within the geographical boundary of the Hanford Site 200 Areas and includes contributing sources on the Central Plateau. The inventory covers the radiological inventories of historical discharges and residuals that have the potential to release after closure. The reported inventory is focused on the source terms needed for transport modeling and the evaluation of risk associated with the ground water pathway. Risk from the air pathway was considered. Inventories of sites with approved performance assessments (PAs) will be integrated using their release curves directly with vadose zone transport modeling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗