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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Assessment of TMT Labeling Efficiency in Large-Scale Quantitative Proteomics: The Critical Effect of Sample pH

Isobaric labeling via tandem mass tag (TMT) reagents enables sample multiplexing prior to LC–MS/MS, facilitating high-throughput large-scale quantitative proteomics. Consistent and efficient labeling reactions are essential to achieve robust quantification; therefore, embedded in our clinical proteomic protocol is a quality control (QC) sample that contains a small aliquot from each sample within a TMT set, referred to as “Mixing QC.” This Mixing QC enables the detection of TMT labeling issues by LC–MS/MS before combining the full samples to allow for salvaging of poor TMT labeling reactions. While TMT labeling is a valuable tool, factors leading to poor reactions are not fully studied. We observed that relabeling does not necessarily rescue TMT reactions and that peptide samples sometimes remained acidic after resuspending in 50 mM HEPES buffer (pH 8.5), which coincided with low labeling efficiency (LE) and relatively low median reporter ion intensities (MRIIs). To obtain a more resilient TMT labeling procedure, we investigated LE, reporter ion missingness, the ratio of mean TMT set MRII to individual channel MRII, and the distribution of log 2 reporter ion ratios of Mixing QC samples. We discovered that sample pH is a critical factor in LE, and increasing the buffer concentration in poorly labeled samples before relabeling resulted in the successful rescue of TMT labeling reactions. Moreover, resuspending peptides in 500 mM HEPES buffer for TMT labeling resulted in consistently higher LE and lower missing data. By better controlling the sample pH for labeling and implementing multiple methods for assessing labeling quality before combining samples, we demonstrate that robust TMT labeling for large-scale quantitative studies is achievable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Imaging Transitional Disks with TMT: Lessons Learned from the SEEDS Survey

TMT studies of the early phases of giant planet formation will build on studies carried out in this decade using 8-meter class telescopes. One such study is the Strategic Exploration of Exoplanets and Disks with Subaru transitional disk survey. We have found a wealth of indirect signatures of giant planet presence, including spiral arms, pericenter offsets of the outer disk from the star, and changes in disk color at the inner edge of the outer disk in intermediate-mass PMS star disks. T Tauri star transitional disks are less flamboyant, but are also dynamically colder: any spiral arms in these diskswill be more tightly wound. Imaging such features at the distance of the nearest star-forming regions requires higher angular resolution than achieved with HiCIAO+ AO188. Imaging such disks with extreme AO systems requires use of laser guide stars, and are infeasible with the extreme AO systems currently commissioning on 8-meter class telescopes. Similarly, the JWST and AFTAWFIRST coronagraphs being considered have inner working angles 0.2, and will occult the inner 28 atomic units of systems at d140pc, a region where both high-contrast imagery and ALMA data indicate that giant planets are located in transitional disks. However, studies of transitional disks associated with solar-mass stars and their planet complement are feasible with TMT using NFIRAOS.

star-forming regions↗
DOE OSTI2021

BRAVE_EBC-TMT.1.0

Exhaled breath condensate (EBC) represents a low-cost and non-invasive means of examining respiratory health. EBC has been used to discover and validate exhaled volatile and non-volatile biomarkers of disease related to the respiratory system distress such as asthma, COPD, lung cancer, and secondary infections. One newly emerging utilization of EBC, is proteomics analysis, which can provide an unbiased snapshot into ongoing biological processes in the airway. Fully characterizing the biological landscape of EBC collections is challenging though, due to sample variability, and low detection sensitivity. EBC is primarily composed of condensed water, causing technical challenges with detecting key macromolecules from the dilute sample matrix; therefore, high sensitivity techniques are required to unlock the full capability of EBC as a method for non-invasive biomarker detection. To overcome some of these technical challenges for proteomic analyses, we applied our recently developed microscale proteomic techniques and developed a novel TMT based approach which enabled reliable, relative quantification with significantly improved detection of low abundance peptides/proteins across multiple healthy volunteer EBC samples. Our EBC collection design includes longitudinal EBC collections from five individual healthy volunteers on three separate days of the week with triplicate, back-to-back donations each day. Here, we report a total of 235 quantifiable proteins corresponding to 1,877 non-redundant peptides for evaluating sample collection reproducibility and establishing a healthy (human host) baseline EBC biomarker proteome studies. This work will pave the way for further investigations of EBC protein expression profiles and showcase the value of using non-invasive collection method techniques for clinically relevant biomarker discovery. This research was supported by the LDRD Biomedical Resilience And Readiness in AdVerse Operating Environments (BRAVE) Project (73748), and was conducted at Pacific Northwest National Laboratory (PNNL) in Richland, WA. PNNL is a multiprogram national laboratory operated by Battelle for the Department of Energy (DOE) under Contract DE-AC05-76RLO 1830.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Multi-Frequency Analysis of Simulated versus Observed Variability in Tropospheric Temperature

Studies seeking to identify a human-caused global warming signal generally rely on climate model estimates of the “noise” of intrinsic natural variability. Assessing the reliability of these noise estimates is of critical importance. We evaluate here the statistical significance of differences between climate model and observational natural variability spectra for global-mean mid- to upper-tropospheric temperature (TMT). We use TMT information from satellites and large multimodel ensembles of forced and unforced simulations. Our main goal is to explore the sensitivity of model-versus-data spectral comparisons to a wide range of subjective decisions. These include the choice of satellite and climate model TMT datasets, the method for separating signal and noise, the frequency range considered, and the statistical model used to represent observed natural variability. Of particular interest is the amplitude of the interdecadal noise against which an anthropogenic tropospheric warming signal must be detected. We find that on time scales of 5–20 years, observed TMT variability is (on average) overestimated by the last two generations of climate models participating in the Coupled Model Intercomparison Project. This result is relatively insensitive to different plausible analyst choices, enhancing confidence in previous claims of detectable anthropogenic warming of the troposphere and indicating that these claims may be conservative. A further key finding is that two commonly used statistical models of short-term and long-term memory have deficiencies in their ability to capture the complex shape of observed TMT spectra.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2009

Investigation of Primary Mirror Segment's Residual Errors for the Thirty Meter Telescope

The primary mirror segment aberrations after shape corrections with warping harness have been identified as the single largest error term in the Thirty Meter Telescope (TMT) image quality error budget. In order to better understand the likely errors and how they will impact the telescope performance we have performed detailed simulations. We first generated unwarped primary mirror segment surface shapes that met TMT specifications. Then we used the predicted warping harness influence functions and a Shack-Hartmann wavefront sensor model to determine estimates for the 492 corrected segment surfaces that make up the TMT primary mirror. Surface and control parameters, as well as the number of subapertures were varied to explore the parameter space. The corrected segment shapes were then passed to an optical TMT model built using the Jet Propulsion Laboratory (JPL) developed Modeling and Analysis for Controlled Optical Systems (MACOS) ray-trace simulator. The generated exit pupil wavefront error maps provided RMS wavefront error and image-plane characteristics like the Normalized Point Source Sensitivity (PSSN). The results have been used to optimize the segment shape correction and wavefront sensor designs as well as provide input to the TMT systems engineering error budgets.

warping harness↗
NASA NTRS2018

The OpenSE Cookbook: A Practical, Recipe Based Collection of Patterns, Procedures, and Best Practices for Executable Systems Engineering for the Thirty Meter Telescope

The OpenSE Cookbook is an open-sourced collection of patterns, procedures, and best practices targeted for systems engineers who seek guidance on applying model-based and executable systems engineering (MBSE) using SysML. Its content has emerged from the system level modeling effort on the European Framework Program 6 (FP6) and the Thirty Meter Telescope (TMT). The TMT MBSE approach applied the Executable Systems Engineering Method (ESEM) and the open-source Engineering Environment (OpenMBEE) to specify, analyze, and verify requirements of TMT’s Alignment and Phasing System (APS) and the Narrow Field Infrared Adaptive Optics System (NFIRAOS). In these applications, implicit dependencies are made explicit in a formal model through the use of ESEM, OpenMBEE, and SysML modeling constructs. The value proposition for applying this MBSE approach was to establish precise requirements and fine-grained traceability to system designs, and to verify key requirements beginning early in development. The integration of ESEM and the OpenMBEE tooling infrastructure (providing linked-data and web-operability) is a significant added value for the MBSE approach. The APS is responsible for the overall pre-adaptive optics wavefront quality, using starlight to measure wavefront errors and align the TMT optics. In the formally integrated and executable SysML model, simulations are performed to analyze the impact of changed requirements and verify specified constraints for various operational scenarios. The APS team used several modeling patterns to capture information such as the requirements, the operational scenarios, involved subsystems and their interaction points, the estimated or required time durations, and the mass and power consumption. Adaptive optics systems are designed to sense real-time atmospheric turbulence and correct the telescope’s optical beam to remove its effect. The system model for the adaptive optics operational modes was developed to capture sequence behaviors and operational scenarios to run Monte-Carlo simulations for verifying acquisition time, observing efficiency, and operational behavior requirements. The model is particularly useful for investigating the effect of parallelization, identifying interface issues, and re-ordering sequence acquisition tasks. A former version of the Cookbook (which is now updated to MBSE challenges, goals, and lessons learned) included modeling guidelines and conventions for all system aspects, hierarchy levels, and views, which were developed during for the Active Phasing Experiment (APE), an opto-mechatronical system technology demonstrator for the Extremely Large Telescope (ELT). The Cookbook utilizes the above mentioned system models as real-world case-studies to demonstrate and document the applications of the recipes, providing also instructional examples and addressing the available tooling support. The Cookbook is accompanied by a number of SysML models and aodel libraries which facilitate model authoring and maintenance. The Cookbook covers the different aspects of Systems Engineering such as management of Requirements, Design (behavior and structure), Interfaces, Interdisciplinary Integration, Analysis, Trade Studies, and Technical Resources. This paper presents the background, motivation, architecture, and highlights some key content of the Cookbook. For example, interface management, error budget management, requirements verification, Monte Carlo driven analysis, and timing analysis of operational scenarios. The paper discusses how the capabilities of OpenMBEE contributed significantly to the adoption of executable systems engineering.

Brower, Eric↗
NASA NTRS2018

Optical Performance Prediction of the Thirty Meter Telescope after Initial Alignment Using Optical Modeling

We present an estimate of the optical performance of the Thirty Meter Telescope (TMT) after execution of the full telescope alignment plan. The TMT alignment is performed by the Global Metrology System (GMS) and the Alignment and Phasing System (APS). The GMS first measures the locations of the telescope optics and instruments as a function of elevation angle. These initial measurements will be used to adjust the optics positions and build initial elevation look-up tables. Then the telescope is aligned using starlight as the input for the APS at multiple elevation angles. APS measurements are used to refine the telescope alignment to build elevation and temperature dependent look-up tables. Due to the number of degrees of freedom in the telescope (over 10,000), the ability of the primary mirror to correct aberrations on other optics, the tight optical performance requirements and the multiple instrument locations, it is challenging to develop, test and validate these alignment procedures. In this paper, we consider several GMS and APS operational scenarios. We apply the alignment procedures to the model-generated TMT, which consists of various quasi-static errors such as polishing errors, passive supports errors, thermal and gravity deformations and installation position errors. Using an integrated optical model and Monte-Carlo framework, we evaluate the TMT’s aligned states using optical performance metrics at multiple instrument and field of view locations. The optical performance metrics include the Normalized Point Source Sensitivity (PSSN), RMS wavefront error before and after Adaptive Optics (AO) correction, pupil position change, and plate scale distortion.

Rogers, John↗
DOE OSTI2021

Evaluation of Differential Peptide Loading on Tandem Mass Tag-Based Proteomic and Phosphoproteomic Data Quality

Global and phosphoproteome profiling has demonstrated great utility for the analysis of clinical specimens. One major barrier to the broad clinical application of proteomic profiling is the large amount of biological material required, particularly for phosphoproteomics—currently on the order of 25 mg wet tissue weight, depending on tissue type. For hematopoietic cancers such as acute myeloid leukemia (AML), the sample requirement is in excess of 10 million (1E7) peripheral blood mononuclear cells (PBMCs). Throughout the course of a prospective study, this requirement will certainly exceed what is obtainable from many of the individual patients/timepoints. For this reason, we were interested in examining the impact of differential peptide loading across multiplex channels on proteomic data quality. Methods: To achieve this, we tested a range of channel loading amounts (20, 40, 100, 200, and 400 µg of tryptic peptides, or approximately the material obtainable from 5E5, 1E6, 2.5E6, 5E6, and 1E7 AML patient cells) to assess proteome coverage, quantification reproducibility and accuracy in experiments utilizing isobaric tandem mass tag (TMT) labeling. As expected, we found that fewer missing values are observed in TMT channels with higher peptide loading amounts compared to those with lower loading. Moreover, channels with lower loading amounts have greater quantitative variability than channels with higher loading amounts. Statistical analysis of the differences in means among the five loading groups showed that the 20 µg loading group was significantly different from the 400 µg loading group. However, no significant differences were detected among the 40, 100, 200 and 400 µg loading groups. Conclusions: These assessment data demonstrate the practical limits of loading differential quantities of peptides across channels in TMT multiplexes, and provide a basis for designing the optimal clinical proteomics study when specimen quantities are limited.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Internal variability and forcing influence model–satellite differences in the rate of tropical tropospheric warming

Climate-model simulations exhibit approximately two times more tropical tropospheric warming than satellite observations since 1979. The causes of this difference are not fully understood and are poorly quantified. Here, we apply machine learning to relate the patterns of surface-temperature change to the forced and unforced components of tropical tropospheric warming. This approach allows us to disentangle the forced and unforced change in the model-simulated temperature of the midtroposphere (TMT). In applying the climate-model-trained machine-learning framework to observations, we estimate that external forcing has produced a tropical TMT trend of 0.25 ± 0.08 K⋅decade −1 between 1979 and 2014, but internal variability has offset this warming by 0.07 ± 0.07 K⋅decade −1 . Using the Community Earth System Model version 2 (CESM2) large ensemble, we also find that a discontinuity in the variability of prescribed biomass-burning aerosol emissions artificially enhances simulated tropical TMT change by 0.04 K⋅decade −1 . The magnitude of this aerosol-forcing bias will vary across climate models, but since the latest generation of climate models all use the same emissions dataset, the bias may systematically enhance climate-model trends over the satellite era. Our results indicate that internal variability and forcing uncertainties largely explain differences in satellite-versus-model warming and are important considerations when evaluating climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Creep strength boosted by a high-density of stable nanoprecipitates in high-chromium steels

There is a need worldwide to develop materials for advanced power plants with steam temperatures of 700°C and above that will achieve long-term creep-rupture strength and low CO 2 emissions. The creep resistance of actual 9-12Cr steels is not enough to fulfil the engineering requirements above 600°C. In this paper, the authors report their advances in the improvement of creep properties of this type of steels by the microstructural optimization through nano-precipitation using two methodologies. 1) Applying a high temperature austenitization cycle followed by an ausforming step (thermomechanical treatment, TMT) to G91 steel, to increase the martensite dislocation density and, thus, the number density of MX precipitates (M = V,Nb; X = C,N) but at the expense of deteriorating the ductility. 2) Compositional adjustments, guided by computational thermodynamics, combined with a conventional heat treatment (no TMT), to design novel steels with a good ductility while still possessing a high number density of MX precipitates, similar to the one obtained after the TMT in G91. The microstructures have been characterized by optical, scanning and transmission electron microscopy, EBSD and atom probe tomography. The creep behaviour at 700°C has been evaluated under a load of 200 N using small punch creep tests.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Real Space Quantum Cluster Formulation for the Typical Medium Theory of Anderson Localization

We develop a real space cluster extension of the typical medium theory (cluster-TMT) to study Anderson localization. By construction, the cluster-TMT approach is formally equivalent to the real space cluster extension of the dynamical mean field theory. Applying the developed method to the 3D Anderson model with a box disorder distribution, we demonstrate that cluster-TMT successfully captures the localization phenomena in all disorder regimes. As a function of the cluster size, our method obtains the correct critical disorder strength for the Anderson localization in 3D, and systematically recovers the re-entrance behavior of the mobility edge. From a general perspective, our developed methodology offers the potential to study Anderson localization at surfaces within quantum embedding theory. This opens the door to studying the interplay between topology and Anderson localization from first principles.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Thermomechanical treatment of 2124 PM aluminum alloys with low and high dispersoid levels

The effects of thermomechanical treatment (TMT) on the mechanical properties and metallurgical structure of 2124 powder metallurgy aluminum alloys prepared from rapidly solidified powders were investigated. The alloys were prepared by using a standard canning/vacuum degassing/hot consolidation/extrusion sequence. Two compositions, with manganese contents of 0.5 and 1.5 percent, were investigated to examine the effects of low and high dispersoid levels. The results indicate that significant improvements in strength can be accomplished through TMT for this PM alloy system with little loss in toughness. The increase in strength observed is attributed to the presence of much finer, more homogeneous S-prime precipitation than that observed without TMT. Rolling deformation at room temperature resulted in some tendency for nonuniform (planar) deformation and resulted in slightly lower notch strength values. The lower notch strengths observed in the higher manganese composition were attributed to the coarser, more dense dispersoids observed in this material.

Sarkar, B.↗