Structure, property and performance characteristics of HCD-ion plated TiN coatings
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Erdemir, A.↗
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Hydrogen Contaminant Detector Transition to Production (HCD-TTP II)
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Moscoso, Jerome↗
Human-Centered Design Capability
For NASA, human-centered design (HCD) seeks opportunities to mitigate the challenges of living and working in space in order to enhance human productivity and well-being. Direct design participation during the development stage is difficult, however, during project formulation, a HCD approach can lead to better more cost-effective products. HCD can also help a program enter the development stage with a clear vision for product acquisition. HCD tools for clarifying design intent are listed. To infuse HCD into the spaceflight lifecycle the Space and Life Sciences Directorate developed the Habitability Design Center. The Center has collaborated successfully with program and project design teams and with JSC's Engineering Directorate. This presentation discusses HCD capabilities and depicts the Center's design examples and capabilities.
Fitts, David J.↗
Native Top-Down Mass Spectrometry Characterization of Model Integral Membrane Protein Bacteriorhodopsin
Bacteriorhodopsin (bR) from Halobacterium salinarum has been a model system for structural biology and is a structural template for the characterization of membrane G-protein couple receptors (GPCRs) in particular. Here, in this study, wild-type bacteriorhodopsin and two single-residue mutants were characterized by native top-down mass spectrometry (nTD-MS) with Orbitrap-based high-energy collision dissociation (HCD) and electron capture dissociation (ECD). After in-source dissociation ejected the membrane protein from detergent micelles, high-resolution native MS measurement allowed for identification of multiple proteoforms as well as lipid-bound forms. Further top-down MS measurements by HCD produced a large number of product ions for in-depth sequencing and unambiguous localization of post-translational modifications. For the first time, native TD-MS with ECD was used to characterize an integral membrane protein. ECD yielded fragments originating from all helices and loop regions, even accessing a sequence stretch that HCD could not. Combining HCD and ECD fragmentation patterns significantly enhanced the sequence coverage of bR. We propose bR to be a model analyte for testing nTD-MS performance for membrane proteins.
crystal cleavage↗
Heavy Duty Hydrogen: Reference Station, Fueling Performance Test Device Concepts, and Station Capacity Model (CRADA Final Report)
This project will provide valuable information on (1) reference station design, (2) exploration of design concepts for a fueling performance test device, and (3) modeling of station capacity. The work applies to heavy-duty (HD) hydrogen fueling stations with large dispensing capacity and high flowrates servicing HD hydrogen trucks such as class 8 trucks in long haul applications. Additionally, a 4th area will provide near-real-time verification of fuel quality with on-site hydrogen contaminant detectors (HCDs) for use at both light-duty (LD) and HD stations. The work leverages national lab capabilities including staff and equipment at SNL, NLR, and ANL with collaboration and funding cost share from California agencies (CEC, SCAQMD, and GO-Biz). This project will provide tools and information that lead to more efficient design, acceptance, and commissioning of these larger capacity, higher flowrate stations serving HD applications. The HCD work will benefit both LD and HD stations. Note: The 4th area (HCD) mentioned above continued outside of this CRADA and will not be included in this report. There are no tasks included in this CRADA for HCD and the summary text for it should have been removed prior to this CRADA contract execution but remained in error and is included here for completeness.
08 HYDROGEN↗
Broadening JPL’s Mission Formulation Paradigm with Human Centered Design
Within NASA’s highly competitive environment for funding, Human Centered Design (HCD) and cybernetics could provide advantages to proposers during the mission formulation phase. Opportunities are limited when it comes to funding new science missions. Proposers are challenged to make a compelling case about the scientific desirability, technical feasibility, and resource viability of their concepts. Organizations follow established processes for proposal development using teams that typically include scientists, engineers, and managers. These team members are highly experienced subject matter experts (SME) in their own disciplines, and can respond to requirements from the solicitation. However, they are typically not trained as designers and communicators. Their approach is rooted within NASA’s science and technology paradigm. How can we improve the proposal development process, refine workflow between team members, and deliver clear and appealing offerings to the stakeholders and evaluators? These questions have been addressed by today’s most innovative companies (e.g., Apple, Google, 3M, Dyson), where the design process is not limited simply to engineering and management, but involves an all-encompassing approach drawing from fields such as social sciences, design, and the arts. Like these commercial enterprises, NASA currently employs systems thinking and integrated design, but can benefit further by moving beyond its current practices, which are mostly driven by rigid engineering, technology, science, and project management considerations. At JPL’s Innovation Foundry and through the Solar System Mission Formulation Office, we broadened this paradigm by including HCD in the mission formulation workflow. Our goal was to create a proposal with improved clarity and appeal, thus helping our team to communicate its message and aid evaluators with their work. In this paper we provide examples and lessons learned from our recent proposal development effort using HCD. We discuss touch points where we infused non-linear designerly approaches and cybernetic circularity into the workflow. Implemented design topics include operational design for team building; process design throughout distinct phases of the proposal development and writing process; communication design for streamlined exchange of information within the team and to stakeholders; interaction design; graphic design; and creating boundary objects. While these approaches may feel new or foreign to SMEs and managers in the aerospace community, they produced significant benefits in this mission formulation effort. We will describe how such approaches can be used to broaden NASA’s technology-driven paradigm through design, thus creating an environment which fosters innovation, improved communication, and strategic advantage for proposers and their organizations.
Turner, Neal↗
Analysis of the Value Added When Deploying a Model-Based Approach for the Validation and Verification of the Medical Database Software
The Medical Database (MD) is a virtual repository consisting of two software components: Medical Item Database (MedID) and the Evidence Library (EL). MedID consists of engineering data and associated information for specific medical resource items (e.g., pharmaceutical, medical devices, and supporting components), while the EL is a tool which provides all of the medical evidence necessary. The MD will 1) serve as the single “source of truth” for the Informing Mission Planning via Analysis of Complex Tradespaces (IMPACT) tool suite for both medical evidence and medical resource engineering data and 2) will be used in conjunction with the IMPACT tool suite to inform research prioritizations and perform systematic trade study evaluations to aid stakeholders in making informed decisions regarding simulated human spaceflight missions. The MD project used a Model-Based Systems Engineering (MBSE) approach to support all life cycles of the software development, while in parallel the human factors engineering team used modeling to support Human Centered Design (HCD) strategies in an effort to improve software usability. HCD is a frequently used approach in design frameworks that develops resolutions to complexities and challenges by involving the human perspective in all steps of the problem-solving process. By integrating the model-based approaches used for systems engineering and human factors activities, the project is able to leverage the model-based artifacts originally created for HCD activities for system level and human factors validation. In this presentation, our team highlights the value added when leveraging these model-based artifacts to support the on-going verification and validation activities.
C. Laing↗
Automated Label‐Free Assay for Viral Detection and Inhibitor Screening via Biomembrane‐Functionalized Microelectrode Arrays
Most virus infection assays have indirect readout such as virus number following entry (e.g., PCR, cell lysis). While effective, these technologies are labor‐intensive, require specialized environments (e.g., sterile or RNA‐free), and detect later‐stage viral events like lysis or cell death, lacking sensitivity to early fusion events. To address these limitations, we present biologically relevant 2D membrane materials, host‐cell‐derived supported lipid bilayers (hcd‐SLBs), integrated with organic microelectrode arrays (OMEAs) for detection of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) fusion. By overexpressing angiotensin‐converting enzyme 2 (ACE2) receptors on the native membranes, the platform functions as a viral sensor capable of detecting virus pseudo particles (VPPs) through the late pathway. Additionally, hcd‐SLBs extracted from human lung epithelium expressing native ACE2 detect fusion events through the early pathway. The platform's utility as a drug‐screening tool is demonstrated by testing antibodies targeting either the ACE2 on the host membrane or the viral spike (S) proteins. To enhance the throughput, microfluidics are integrated for automation and OMEAs are incorporated within each channel, miniaturizing the testing units. This system supports high‐throughput data generation, automation, and scalability, providing an efficient platform for viral fusion detection that advances the study of pathogen‐host interactions and accelerates antiviral drug discovery.
Biology↗
Modeling of the high column density systems in the Lyman-Alpha forest
The Lyman-α forests observed in the spectra of high-redshift quasars can be used as a tracer of the cosmological matter density to study baryon acoustic oscillations (BAO) and the Alcock-Paczynski effect. Extraction of cosmological information from these studies requires modeling of the forest correlations. While the models depend most importantly on the bias parameters of the intergalactic medium (IGM), they also depend on the numbers and characteristics of high-column-density systems (HCDs) ranging from Lyman-limit systems with column densities log N HI /1cm -2 > 17 to damped Lyman-α systems (DLAs) with log N HI /1cm -2 > 20.2. These HCDs introduce broad damped absorption characteristic of a Voigt profile. Consequently they imprint a component on the power spectrum whose modes in the radial direction are suppressed, leading to a scale-dependent bias. Using mock data sets of known HCD content, we test a model that describes this effect in terms of the distribution of column densities of HCDs, the Fourier transforms of their Voigt profiles and the bias of the halos containing the HCDs. Our results show that this physically well-motivated model describes the effects of HCDs with an accuracy comparable to that of the ad-hoc models used in published forest analyses. We also discuss the problems of applying the model to real data, where the HCD content and their bias is uncertain.
Lyman alpha forest↗
Safeguards by Design Table Top Exercises Final Report (FY 2023)
This University Engagement project challenged engineering students at universities, that do not have bachelor’s degree programs in nuclear engineering but do have research reactors and some nuclear engineering coursework, to develop capacity in Safeguards by Design concepts through the application of Tabletop Exercises. 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. However, for FY23, the direction of the HCD project had changed to implementing a Tabletop Exercise in Safeguards by Design (SBD). A Tabletop Exercise was not executed during FY23, but relationships with both Universities was maintained and how to integrate the exercise into the curriculum of both programs was determined.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
From STEM to STEAM: Toward a Human-Centered Education
The 20th century was based on local linear engineering of complicated systems. We made cars, airplanes and chemical plants for example. The 21st century has opened a new basis for holistic non-linear design of complex systems, such as the Internet, air traffic management and nanotechnologies. Complexity, interconnectivity, interaction and communication are major attributes of our evolving society. But, more interestingly, we have started to understand that chaos theories may be more important than reductionism, to better understand and thrive on our planet. Systems need to be investigated and tested as wholes, which requires a cross-disciplinary approach and new conceptual principles and tools. Consequently, schools cannot continue to teach isolated disciplines based on simple reductionism. Science; Technology, Engineering, and Mathematics (STEM) should be integrated together with the Arts1 to promote creativity together with rationalization, and move to STEAM (with an "A" for Arts). This new concept emphasizes the possibility of longer-term socio-technical futures instead of short-term financial predictions that currently lead to uncontrolled economies. Human-centered design (HCD) can contribute to improving STEAM education technologies, systems and practices. HCD not only provides tools and techniques to build useful and usable things, but also an integrated approach to learning by doing, expressing and critiquing, exploring possible futures, and understanding complex systems.
Boy, Guy A.↗
Unifying Human Centered Design and Systems Engineering for Human Systems Integration
Despite the holistic approach of systems engineering (SE), systems still fail, and sometimes spectacularly. Requirements, solutions and the world constantly evolve and are very difficult to keep current. SE requires more flexibility and new approaches to SE have to be developed to include creativity as an integral part and where the functions of people and technology are appropriately allocated within our highly interconnected complex organizations. Instead of disregarding complexity because it is too difficult to handle, we should take advantage of it, discovering behavioral attractors and the emerging properties that it generates. Human-centered design (HCD) provides the creativity factor that SE lacks. It promotes modeling and simulation from the early stages of design and throughout the life cycle of a product. Unifying HCD and SE will shape appropriate human-systems integration (HSI) and produce successful systems.
Boy, Guy A.↗
Subject-specific multi-scale modeling of the fate of inhaled aerosols
Determining the fate of inhaled aerosols in the respiratory system is essential in assessing the potential toxicity of inhaled airborne materials, responses to airborne pathogens, or in improving inhaled drug delivery. The availability of high-resolution clinical lung imaging and advances in the reconstruction of lung airways from CT images have led to the development of subject-specific in-silico 3D models of aerosol dosimetry, often referred to as computational fluid-particle-dynamics (CFPD) models. As CFPD models require extensive computing resources, they are typically confined to the upper and large airways. These models can be combined with lower-dimensional models to form multiscale models that predict the transport and deposition of inhaled aerosols in the entire respiratory tract. Understanding where aerosols deposit is only the first of potentially several key events necessary to predict an outcome, being a detrimental health effect or a therapeutic response. To that end, multiscale approaches that combine CFPD with physiologically-based pharmacokinetics (PBPK) models have been developed to evaluate the absorption, distribution, metabolism, and excretion (ADME) of toxic or medicinal chemicals in one or more compartments of the human body. CFPD models can also be combined with host cell dynamics (HCD) models to assess regional immune system responses. Here, this paper reviews the state of the art of these different multiscale approaches and discusses the potential role of personalized or subject-specific modeling in respiratory health.
60 APPLIED LIFE SCIENCES↗
Ultra-stable trimetallic phosphide heterostructure with regulated electronic structure for overall water splitting at high current densities
Developing ultra-stable electrocatalysts for highly efficient overall water splitting at high current density (HCD) is critical for renewable hydrogen/oxygen production in the industry. However, the most active electrocatalysts for large current-driven water splitting are seriously handicapped by insufficient electrical contact kinetics due to the intensive bubble overflow. Herein, we demonstrate the ultra-stable trimetallic phosphides of NiFeP/NiCoP catalysts on a hydrophilic Ni foam skeleton via a corrosion-hydrothermal-phosphating strategy. The optimized NiFeP/NiCoP catalyst stabilizes for 600 h at -1 A cm -2 for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in alkaline solution, and it only needs low overpotentials of 237 and 314 mV to drive HER and OER at 1 A cm -2 , respectively. As expected, the optimized NiFeP/NiCoP electrode maintains 1000 h at 0.5 A cm -2 for water splitting, ranking among the top performers among reported catalysts. Such excellent performance could be attributed to the fast electron transfer for electrochemical reactions, the electron-deficient Fe/Ni sites contribute to forming robust metal oxyhydroxide during OER, and electron-rich Co sites facilitate H adsorption during HER. In conclusion, the findings present a highly promising candidate for ultra-stable non-noble metal electrocatalysts, offering a viable option for hydrogen/oxygen supply for fuel cells and metal-air batteries.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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↗
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↗
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.↗
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.↗