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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

GlyQ-IQ: Glycomics Quintavariate-Informed Quantification with High-Performance Computing and GlycoGrid 4D Visualization

Dense LC-MS datasets have convoluted extracted ion chromatograms with multiple chromatographic peaks that cloud the differentiation between intact compounds with their overlapping isotopic distributions, peaks due to insource ion fragmentation, and noise. Making this differentiation is critical in glycomics datasets because chromatographic peaks correspond to different intact glycan structural isomers. The GlyQ-IQ software is targeted chromatography centric software designed for chromatogram and mass spectra data processing and subsequent glycan composition annotation. The targeted analysis approach offers several key advantages to LC-MS data processing and annotation over traditional algorithms. A priori information about the individual target’s elemental composition allows for exact isotope profile modeling for improved feature detection and increased sensitivity by focusing chromatogram generation and peak fitting on the isotopic species in the distribution having the highest intensity and data quality. Glycan target annotation is corroborated by glycan family relationships and in source fragmentation detection. The GlyQ-IQ software is developed in this work (Part 1) and was used to profile N-glycan compositions from human serum LC-MS Datasets. The companion manuscript GlyQ-IQ Part 2 discusses developments in human serum N-glycan sample preparation, glycan isomer separation, and glycan electrospray ionization. A case study is presented to demonstrate how GlyQ-IQ identifies and removes confounding chromatographic peaks from high mannose glycan isomers from human blood serum. In addition, GlyQ-IQ was used to generate a broad N-glycan profile from a high resolution (100K/60K) nESI-LS-MS/MS dataset including CID and HCD fragmentation acquired on a Velos Pro Mass spectrometer. 101 glycan compositions and 353 isomer peaks were detected from a single sample. 99% of the GlyQ-IQ glycan-feature assignments passed manual validation and are backed with high resolution mass spectra and mass accuracies less than 7 ppm.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2023

A Dual-Gated Structures for Lossless Ion Manipulations-Ion Mobility Orbitrap Mass Spectrometry Platform for Combined Ultra-High-Resolution Molecular Analysis

High-resolution ion mobility spectrometry-mass spectrometry (HR-IMS-MS) instruments have enormously advanced the ability to characterize complex biological mixtures. Unfortunately, HR-IMS and HR-MS measurements are typically performed independently due to mismatches in analysis time scales. Here we overcome this limitation by using a dual-gated ion injection approach to couple an 11-meter path length structures for lossless ion manipulations (SLIM) module to a Q-Exactive Plus Orbitrap MS. The dual-gate setup was implemented by placing one ion gate before the SLIM module and a second ion gate after. The dual-gated ion injection approach allowed the new SLIM-Orbitrap platform to simultaneously perform an 11-meter SLIM separation, Orbitrap mass analysis using the highest selectable mass resolution setting (up to 140k), and high-energy collision induced dissociation (HCD) in ~25 minutes over an $m/z$ range of ~1500 amu. The SLIM-Orbitrap was initially characterized using a mixture of standard phosphazene cations and demonstrated an average SLIM CCS resolving power (Rp CCS ) of ~218 and SLIM peak capacity of ~156 while simultaneously obtaining high mass resolutions. SLIM-Orbitrap analysis with fragmentation was then performed on mixtures of standard peptides and two reverse peptides (SDGRG 1+ , GRGDS 1+ , Rp CCS = 305) to demonstrate the utility of combined HR-IMS-MS/MS measurements for peptide identification. Our new HR-IMS-MS/MS capability was further demonstrated by analyzing a complex lipid mixture and showcasing SLIM separations on isobaric lipids. In conclusion, this new SLIM-Orbitrap platform demonstrates a critical new capability for proteomics and lipidomics applications, and the high-resolution multimodal data obtainable with this system establishes the foundation for reference-free identification of unknown ion structures.

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

Native MS Analysis of Bacteriorhodopsin and an Empty Nanodisc by Orthogonal Acceleration Time-of-Flight, Orbitrap and Ion Cyclotron Resonance

Over the past two decades orthogonal acceleration time-of-flight has been the de facto analyzer of choice for solution and membrane soluble protein native mass spectrometry (MS) studies; this however is gradually changing. Here we compare three MS instruments, the Q-ToF, the Orbitrap and the FT-ICR to analyze, under native instrument and buffer conditions, the 7-transmembrane helical protein bacteriorhodopsin-octylglucoside micelle complex and the empty nanodisc (MSP1D1-Nd) using both MS and tandem-MS modes of operation. Bacteriorhodopsin can be released from the octylglucoside-micelle efficiently on all three instruments (MS-mode of operation) producing a narrow charge state distribution (z = 8+ to 10+) by either increasing the source lens or collision cell (or HCD) voltages. A lower center-of-mass collision energy (0.20–0.41 eV) is required for optimal bacteriorhodopsin liberation on the FT-ICR, in comparison to the Q-ToF and Orbitrap instruments (0.29–2.47 eV). The empty MSP1D1-Nd can be measured with relative ease on a three instruments, resulting in a highly complex spectrum of overlapping, polydisperse charge state; a consequence of varying levels of phospholipid incorporation. There is a measurable difference in MSP1D1-Nd charge state distribution (z = 15+ to 26+), average molecular weight (141.7 to 169.6 kDa) and phospholipid incorporation number (143 to 184) under low activation conditions. Utilizing tandem-MS, bacteriorhodopsin can be effectively liberated from the octylglucoside-micelle by collisional (Q-ToF and FT-ICR) or continuous IRMPD activation (FT-ICR). MSP1D1-Nd spectral complexity can also be significantly reduced by tandem-MS (Q-ToF and FT-ICR) followed by mild collisional or continuous IRMPD activation, resulting in a spectrum in which the charge state and phospholipid incorporation levels can easily be determined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Detection of Br and I as atomic anions using liquid sampling – atmospheric pressure glow discharge/Orbitrap mass spectrometry

The quantification and determination of halogen isotope composition is essential in many fields including geochemistry and nuclear forensics. Detection of the halogen elements is commonly attempted with inductively coupled plasma mass spectrometry (ICP-MS) however, there are multiple challenges faced. Most significantly this includes very poor ionization efficiency and the potential for isobaric interferences from either matrix or plasma species. Thus, sensitivity and accuracy are often limiting issues. Here a liquid sampling-atmospheric pressure glow discharge (LS-APGD) ionization source is coupled with an ultrahigh resolution Orbitrap MS to perform halogen detection of bromine and iodine as initial analytes. This facilitates simple and sensitive detection of these elements as atomic anions from simple aqueous salt solutions. Collision-induced dissociation (CID) and higher-energy collisional dissociation (HCD) energies were optimized to produce the maximum response of Br − and I − . The LS-APGD conditions were optimized using a design of experiments (DOE) approach for Br − and I − concurrently. Response curves for Br − and I − solutions determined limit of detection (LOD) values of 50 pg and 5 pg, respectively, in 20 μL aliquots. The curves indicated response factors of 0.67 for 79 Br − and 0.90 for 127 I − . Br isotope ratios were determined with precision between 0.7 and 7.3% RSD, with the isotope ratios determined with precision 0.8% RSD at concentrations above the limit of quantification. Preliminary tests were conducted to evaluate the effect of different cations (Na + , K + , and Mg 2+ ) on Br − responses, with no discernible impacts observed on the halogen signal responses. This study demonstrates the potential use of the LS-APGD-Orbitrap-MS for the detection of multiple halogens while avoiding interferences, minimizing sample preparation, and overcoming ionization barriers.

Lang, Dehlia A. [Clemson University, SC (United St↗
DOE OSTI2018

BlackCAT CubeSat: a soft x-ray sky monitor, transient finder, and burst detector for high-energy and multimessenger astophysics

Here we present the conceptual design of a wide field imager onboard a 6U class CubeSat platform for the study of GRB prompt and afterglow emission and detection of electromagnetic counterparts of gravitational waves in soft X-rays. The planned instrument configuration consists of an array of X-ray Hybrid CMOS detectors (HCD), chosen for their soft-X-ray response, flexible and rapid readout rate, and low power, which makes these detectors well suited for detecting bright transients on a CubeSat platform. The wide field imager is realized by a 2D coded mask. This paper will give an overview of the instrument design and the scientific requirements of the proposed mission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Editors’ Choice—Ionomer Side Chain Length and Equivalent Weight Impact on High Current Density Transport Resistances in PEMFC Cathodes

Cell voltage at high current densities (HCD) of an operating proton-exchange membrane fuel cell (PEMFC) suffers from losses due to the local-O 2 and bulk-H + transport resistances in the cathode catalyst layer (CCL). Particularly, the interaction of perfluorosulfonic acid (PFSA) ionomer with the carbon supported platinum catalyst plays a critical role in controlling reactant transport to the active site. In this study, we perform a systematic analysis of the side chain length and equivalent weight (EW) of PFSA ionomers on the CCL transport resistances. Ex situ measurements were carried out to quantify the ionomer characteristics such as the molecular weight, proton conductivity and water uptake. Nanomorphology of ionomers cast as 60–120 nm thin-films is characterized using grazing-incidence X-ray scattering. In situ fuel cell electrochemical diagnostic measurements were carried out to quantify the reactant (H + /O 2 ) transport properties of the CCL. Ionomer EW was found to play a major role with decreasing EW yielding higher proton conductivity and water uptake that led to lower bulk-H + and local-O 2 transport resistances in the CCL. Finally, a 1D-semi-empirical performance model has been developed to quantify the impact of ionomer EW on cell voltage loss factors.

08 HYDROGEN↗
DOE OSTI2015

Modeling and Simulation for Safeguards and Nonproliferation Workshop

The Modeling and Simulation for Safeguards and Nonproliferation Workshop was held December 15–18, 2014, at Oak Ridge National Laboratory. This workshop was made possible by the Next Generation Safeguards Initiative Human Capital Development (NGSI HCD) Program. The idea of the workshop was to move beyond the tried-and-true boot camp training of nonproliferation concepts to spend several days on the unique perspective of applying modeling and simulation (M&S) solutions to safeguards challenges.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2019

CSTT Update: Fuel Quality Analyzer

Presentation summary: A Nafion® based, electrochemical hydrogen contaminant detector was tested at H2Frontier hydrogen filling station in Burbank CA during its refit and recommissioning.; A 100 sccm sample was taken from the H2F production skid and without requiring humidification; both real-time product gas and storage gas was sampled. The selfhumidifying approach using an internal reservoir worked with minimal baseline drift.; The LANL HCD easily detected CO byproduct during reformer restart (as high as 18ppm) and 11, 1ppm challenges were performed during an 850h experiment after initial installation and 10ppm testing/commissioning.; The 10ppm and 1ppm challenges produced ≈ 75% and ≈ 60% reductions in pumping current respectively. Twelve, 1ppm challenges decreased pumping current on average of 59.5% with an error of ±1.4% over 12 challenges during a 6 month time period.; Long term baseline data show a drift rate of 9x10- 7 A/h over a 600h period of testing. The addition of a 1.5V, 600s pulse approximately once a day eliminated any long term drift.; No false positives or false negatives were seen during the field tests to date.; Average water consumption rate is estimated to be ~250μl/day at 100sccm.; Project milestones successfully met.

08 HYDROGEN↗
DOE OSTI2020

Development of a Novel Bioprocess for Synthesizing and Purifying Adipic Acid

Through DOE’s Bioenergy Technologies Office and the Energy Efficiency and Renewable Energy Small Business Voucher (SBV) Pilot, ZymoChem, Inc received support to work with the ABPDU to accelerate the development of a novel adipic acid (AA) bioprocess by evaluating technologies to demonstrate the following: 1) Process development of AA via ZymoChem’s carbon-conserving (C 2 ) pathway in 2L bioreactors, using industrial feedstocks, and as a salt with hexamethylenediamine (HMDA), i.e., the industrially desired form of AA as AA-HMDA is the precursor for nylon 6,6 synthesis. 2) Pilot scale aerobic fermentation at the 300 L scale (stage 1) followed by a high cell density (HCD) anaerobic resting cell biotransformation (RCB) at the 50 L scale (stage 2). 3) Demonstration of a viable recovery process at the 50 L scale for purifying the product (i.e., AA-HMDA salt) and deliver multiple kg-quantity batches of purified product for further testing.

09 BIOMASS FUELS↗
DOE OSTI2022

Safeguards by Design Projects (Final Report-FY-22)

This University Engagement project challenged engineering students at universities, that do not have Bachelor degree programs in nuclear engineering but do have research reactors and some nuclear engineering coursework, to incorporate Safeguards by Design concepts into their Senior Capstone Design Project. This University Engagement project was part of the U. S. Department of Energy’s (DOE) National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation, Office of International Nuclear Safeguards, Next Generation Safeguards Initiative (NGSI), Human Capital Development (HCD): University Engagement Program. This program exposed university students with Mechanical Engineering majors and Nuclear Engineering minors to the concepts of international nuclear safeguards. In FY22, three teams at the University of Rhode Island and two teams at the University of Texas - Austin participated in researching, designing, building, and testing projects to support international nuclear safeguards measurements or verification. The projects involved engaging in activities at the university’s research reactors. All the projects engaged students with prototyping a design and/or tool for application at the Universities’ reactor. At the end of the course, most of the students expressed the experience was positive and they learned more about international nuclear safeguards and applying requirements than they had previously encountered. This school year the projects were further complicated by the COVID-19 pandemic. Both universities had limited in classes on campus, still relying on Zoom classes, and limited direct student/professor interactions. Furthermore, Los Alamos National Laboratory (LANL) greatly restricted travel, therefore making it impossible to visit the students at the end of the semester for the review of their design projects. The final design and review meeting for the projects happened via meetings over the internet. Additionally, the teams did build and test some prototypes but could only do so in a limited capacity.

42 ENGINEERING↗
DOE OSTI2015

Characterization of protein N -glycosylation by tandem mass spectrometry using complementary fragmentation techniques

The analysis of post-translational modifications (PTMs) by proteomics is regarded as a technically challenging undertaking. While in recent years approaches to examine and quantify protein phosphorylation have greatly improved, the analysis of many protein modifications, such as glycosylation, are still regarded as problematic. Limitations in the standard proteomics workflow, such as use of suboptimal peptide fragmentation methods, can significantly prevent the identification of glycopeptides. The current generation of tandem mass spectrometers has made available a variety of fragmentation options, many of which are becoming standard features on these instruments. Lastly, we have used three common fragmentation techniques, namely CID, HCD, and ETD, to analyze a glycopeptide and highlight how an integrated fragmentation approach can be used to identify the modified residue and characterize the N -glycan on a peptide.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1971

Instabilities and turbulence in highly ionized plasmas in a magnetic field

Experimental and theoretical work has been extended on the physical mechanisms of plasma turbulence and coherent instabilities. Turbulence is described in terms of parametric effects and experimental and theoretical results show that energy is transferred in both directions of the frequency spectrum. Energy transfer to higher frequencies results in turbulence acting as a safety valve against the growth of coherent, low frequency instabilities. Energy transfer to lower frequencies results in anomalously high diffusion rates. A linear theory has been applied to the drift instability in the Rensselaer HCD and reasonable agreement between predictions and experimental results has been obtained.

Noon, J. H.↗
NASA NTRS1973

Low-frequency instabilities and plasma turbulence

A theoretical and experimental study is reported of steady-state and time-dependent characteristics of the positive column and the hollow cathode discharge (HCD). The steady state of a non-isothermal, cylindrical positive column in an axial magnetic field is described by three moment equations in the plasma approximation. Volume generation of electron-ion pairs by single-stage ionization, the presence of axial current, and collisions with neutrals are considered. The theory covers the range from the low pressure, collisionless regime to the intermediate pressure, collisional regime. It yields radial profiles of the charged particle velocities, density, potential, electron and ion temperatures, and demonstrates similarity laws for the positive column. The results are compared with two moment theories and with experimental data on He, Ar and Hg found in the literature for a wide range of pressures. A simple generalization of the isothermal theory for an infinitely long cylinder in an axial magnetic field to the case of a finite column with axial current flow is also demonstrated.

Ilic, D. B.↗
NASA NTRS2008

Design and Verification

As future space missions become longer, an important aspect to consider is the habitability of the spacecraft. The amount of habitable volume affects not only astronaut comfort, but safety and mission success as well. However, as the volume is increased to aid in task performance, the weight of the vehicle and cost of the mission escalates in proportion. Pressure to reduce mission cost is constant, but the risk to mission success and crew survival must remain the priorities. The Constellation Program's Altair Lunar Lander is designed for short duration surface operation missions of seven to ten days. For short duration missions, humans will tolerate fairly primitive environmental situations provided the basic physiological arrangements are acceptable. However, for long-duration lunar surface operations, the living and operational spaces within which the crew work must provide both the essentials of life, as well as the support necessary for the crew to be productive in accomplishing their mission. The Altair is still in the preliminary design phase, which is the optimal time for Human Factors data to be provided to designers and engineers. A Human Centered Design (HCD) approach is being taken with our Human Factors evaluations. Human-in-the-loop testing is conducted using low-medium fidelity mock-ups of proposed lunar architecture. Based on current ConOps (Concept of Operations) procedures, a task analysis is performed in which individual tasks are combined into larger operational scenarios. Subjective and objective performance measures are gathered at both the task and scenario level. These scores are used to determine the functionality of the vehicle in terms of task performance. Results from these evaluations will highlight areas for design or operational improvement.

Thompson, Shelby G.↗
NASA NTRS2019

Challenges in applying model-based systems engineering: human-centered design perspective

Systems engineering is, by its nature, human-centered. It is about tradeoffs and negotiations by systems engineers among different disciplines and systems to ensure the resulting system of systems can achieve the mission objectives successfully. Applying MBSE means enabling system engineers to use MBSE processes, methods, and tools to perform such work. This requires not only tools and infrastructure that support MBSE but also cultural change in how system engineers approach their work. Although the cultural change is listed as one of the challenges for MBSE infusion to address, its details and how to address them are not often discussed in the literature and the community. We used Human-Centered Design framework to articulate a core set of related challenges and the implications to tool and infrastructure developments. We will discuss the details of the HCD framework applied and discuss the core challenges using an electrical system engineering to harness engineering workflow as a case study.

Jimenez, Alejandro↗
NASA NTRSDate not supplied

Enabling a Voice Management System for Space Applications

The sustainable missions beyond Low Earth Orbit (LEO) envisioned for NASA’s Artemis program will require autonomous capabilities. Moreover, Artemis mission crews will need a means to efficiently interact with a spacecraft’s autonomous systems. This interaction can be facilitated by voice and speech communications because voice-based controls enable users to interact hands- and eyes-free, allowing the user to better focus on critical tasks. The goal of our project was to explore the knowledge and technology needed to successfully design effective Voice User Interfaces (VUIs) for autonomous systems utilizing Human Centered Design (HCD) principles. The focus of the human factors’ aspect of engineering, pays close attention to psychological and physiological principles in the development of autonomous crew operation systems. A main objective was to understand how a crew member, through voice interaction, could efficiently and intuitively communicate with a notional autonomous vehicle system manager. This project was a part of the NASA Moon to Mars eXploration Systems and Habitation (M2M X-Hab) 2020 Academic Innovation Challenge. The work from the BLiSS Team, at the University of Michigan, resulted in the design of a system persona, Diego, to which an astronaut may quickly build trust with autonomous systems, to alleviate known stressors on mental health expected during long duration space missions. Optimal software to facilitate integration of the system persona into a reference Lunar orbiting Gateway station was defined. Additionally, a Speech to Text (STT) system and a Graphical User Interface (GUI) that could be implemented in future missions was developed on an Internet of Things (IOT) platform. The Voice User Interface (VUI) design for the M2M X-Hab 2020 project leveraged previous technology developed by the BLiSS team to incorporate a voice-based interface into NASA’s Platform for Autonomous Systems (NPAS) software. This required technologies to convert voice to text, conduct semantic interpretations, and convert responses from the autonomous system to text and to speech; additionally, the spacecraft background noise environment was assessed, a noise mitigation technique was developed, and a relatable personality for the autonomous system was developed in order to facilitate human-like conversations. The success of our effort was largely due to the diversity of the team that included expertise in Space Systems Engineering, Human Computer Interaction, Aerospace Engineering, Computer Science, Biomedical Engineering, and Applied Physics. The diverse perspectives fostered elaborate discussions, resulting in the conception of three main subsystems: (1) User-System, (2) NPAS-System, and (3) Environment-System. The VUI was unique and had to be efficient and intuitive. For this project, 5 subteams were formed, each with a separate objective, Voice Design team, Background Noise Mitigation team, Software Integration team and Graphical User Interface team. The BLiSS team crafted a personality for the VUI to enable human-like conversation and drive user adoption and trust. User surveys were completed and used to help determine the required VUI system personality traits by capturing perspectives and expectations of prospective “Artemis Generation Astronauts”. To further simulate human-like conversations, the system had to be able to quickly interpret user speech and be able to integrate with NASA’s NPAS platform for quick and reliable information transfer. The outcomes of our research were: (1) a working prototype user interface, that is compatible with NASA’s NPAS platform; (2) software that demonstrates the ability of the VUI system to interpret user requests and respond appropriately; (3) the capability to implement fully expanded conversations between user and system using intuitive communication in four request categories; and (4) software and hardware recommendations that optimize the system’s ability to operate in a noisy environment. Our research has laid the foundation for the development of VUI’s for autonomy, and provides a baseline for future VUI developments.

Voice user interface↗
DOE OSTI2014

Beyond Human Capital Development: Balanced Safeguards Workforce Metrics and the Next Generation Safeguards Workforce

Since its establishment in 2008, the Next Generation Safeguards Initiative (NGSI) has achieved a number of objectives under its five pillars: concepts and approaches, policy development and outreach, international nuclear safeguards engagement, technology development, and human capital development (HCD). As a result of these efforts, safeguards has become much more visible as a critical U.S. national security interest across the U.S. Department of Energy (DOE) complex. However, limited budgets have since created challenges in a number of areas. Arguably, one of the more serious challenges involves NGSI’s ability to integrate entry-level staff into safeguards projects. Laissez fair management of this issue across the complex can lead to wasteful project implementation and endanger NGSI’s long-term sustainability. The authors provide a quantitative analysis of this problem, focusing on the demographics of the current safeguards workforce and compounding pressures to operate cost-effectively, transfer knowledge to the next generation of safeguards professionals, and sustain NGSI safeguards investments.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗