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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Potent Antiviral Activity against HSV-1 and SARS-CoV-2 by Antimicrobial Peptoids

Viral infections, such as those caused by Herpes Simplex Virus-1 (HSV-1) and SARS-CoV-2, affect millions of people each year. However, there are few antiviral drugs that can effectively treat these infections. The standard approach in the development of antiviral drugs involves the identification of a unique viral target, followed by the design of an agent that addresses that target. Antimicrobial peptides (AMPs) represent a novel source of potential antiviral drugs. AMPs have been shown to inactivate numerous different enveloped viruses through the disruption of their viral envelopes. However, the clinical development of AMPs as antimicrobial therapeutics has been hampered by a number of factors, especially their enzymatically labile structure as peptides. We have examined the antiviral potential of peptoid mimics of AMPs (sequence-specific N-substituted glycine oligomers). These peptoids have the distinct advantage of being insensitive to proteases, and also exhibit increased bioavailability and stability. Our results demonstrate that several peptoids exhibit potent in vitro antiviral activity against both HSV-1 and SARS-CoV-2 when incubated prior to infection. In other words, they have a direct effect on the viral structure, which appears to render the viral particles non-infective. Visualization by cryo-EM shows viral envelope disruption similar to what has been observed with AMP activity against other viruses. Furthermore, we observed no cytotoxicity against primary cultures of oral epithelial cells. These results suggest a common or biomimetic mechanism, possibly due to the differences between the phospholipid head group makeup of viral envelopes and host cell membranes, thus underscoring the potential of this class of molecules as safe and effective broad-spectrum antiviral agents. We discuss how and why differing molecular features between 10 peptoid candidates may affect both antiviral activity and selectivity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Inclusion of a cold hardening scheme to represent frost tolerance is essential to model realistic plant hydraulics in the Arctic–boreal zone in CLM5.0-FATES-Hydro

As temperatures decrease in autumn, vegetation of temperate and boreal ecosystems increases its tolerance to freezing. This process, known as hardening, results in a set of physiological changes at the molecular level that initiate modifications of cell membrane composition and the synthesis of anti-freeze proteins. Together with the freezing of extracellular water, anti-freeze proteins reduce plant water potentials and xylem conductivity. To represent the responses of vegetation to climate change, land surface schemes increasingly employ “hydrodynamic” models that represent the explicit fluxes of water from soil and through plants. The functioning of such schemes under frozen soil conditions, however, is poorly understood. Nonetheless, hydraulic processes are of major importance in the dynamics of these systems, which can suffer from, e.g., winter “frost drought” events. In this study, we implement a scheme that represents hardening into CLM5.0-FATES-Hydro. FATES-Hydro is a plant hydrodynamics module in FATES, a cohort model of vegetation physiology, growth, and dynamics hosted in CLM5.0. We find that, in frozen systems, it is necessary to introduce reductions in plant water loss associated with hardening to prevent winter desiccation. This work makes it possible to use CLM5.0-FATES-Hydro to model realistic impacts from frost droughts on vegetation growth and photosynthesis, leading to more reliable projections of how northern ecosystems respond to climate change.

58 GEOSCIENCES↗
DOE OSTI2021

Whole-soil warming decreases abundance and modifies the community structure of microorganisms in the subsoil but not in surface soil

Abstract. The microbial community composition in subsoils remains understudied, and it is largely unknown whether subsoil microorganisms show a similar response to global warming as microorganisms at the soil surface do. Since microorganisms are the key drivers of soil organic carbon decomposition, this knowledge gap causes uncertainty in the predictions of future carbon cycling in the subsoil carbon pool (> 50 % of the soil organic carbon stocks are below 30 cm soil depth). In the Blodgett Forest field warming experiment (California, USA) we investigated how +4 ∘C warming in the whole-soil profile to 100 cm soil depth for 4.5 years has affected the abundance and community structure of microorganisms. We used proxies for bulk microbial biomass carbon (MBC) and functional microbial groups based on lipid biomarkers, such as phospholipid fatty acids (PLFAs) and branched glycerol dialkyl glycerol tetraethers (brGDGTs). With depth, the microbial biomass decreased and the community composition changed. Our results show that the concentration of PLFAs decreased with warming in the subsoil (below 30 cm) by 28 % but was not affected in the topsoil. Phospholipid fatty acid concentrations changed in concert with soil organic carbon. The microbial community response to warming was depth dependent. The relative abundance of Actinobacteria increased in warmed subsoil, and Gram+ bacteria in subsoils adapted their cell membrane structure to warming-induced stress, as indicated by the ratio of anteiso to iso branched PLFAs. Our results show for the first time that subsoil microorganisms can be more affected by warming compared to topsoil microorganisms. These microbial responses could be explained by the observed decrease in subsoil organic carbon concentrations in the warmed plots. A decrease in microbial abundance in warmed subsoils might reduce the magnitude of the respiration response over time. The shift in the subsoil microbial community towards more Actinobacteria might disproportionately enhance the degradation of previously stable subsoil carbon, as this group is able to metabolize complex carbon sources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter

Tripartite ATP-independent periplasmic (TRAP) transporters are secondary-active transporters that receive their substrates via a soluble-binding protein to move bioorganic acids across bacterial or archaeal cell membranes. Recent cryo-electron microscopy (cryo-EM) structures of TRAP transporters provide a broad framework to understand how they work, but the mechanistic details of transport are not yet defined. Here we report the cryo-EM structure of the Haemophilus influenzae N-acetylneuraminate TRAP transporter (HiSiaQM) at 2.99 Å resolution (extending to 2.2 Å at the core), revealing new features. The improved resolution (the previous HiSiaQM structure is 4.7 Å resolution) permits accurate assignment of two Na + sites and the architecture of the substrate-binding site, consistent with mutagenic and functional data. Moreover, rather than a monomer, the HiSiaQM structure is a homodimer. We observe lipids at the dimer interface, as well as a lipid trapped within the fusion that links the SiaQ and SiaM subunits. We show that the affinity (K D ) for the complex between the soluble HiSiaP protein and HiSiaQM is in the micromolar range and that a related SiaP can bind HiSiaQM. This work provides key data that enhances our understanding of the ‘elevator-with-an-operator’ mechanism of TRAP transporters.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Catalyst comprising Pt, Ni, and Cr

Catalysts comprising nanostructured elements comprising microstructured whiskers having an outer surface at least partially covered by a catalyst material comprising at least 90 atomic percent collectively Pt, Ni, and Cr, wherein the Pt is present in a range from 32.4 to 35.8 atomic percent, the Ni is present in a range from 57.7 to 63.7 atomic percent, and the Cr is present in a range from 0.5 to 10.0 atomic percent, and wherein the total atomic percent of Pt, Ni, and Cr equals 100. Catalyst described herein are useful, for example, in fuel cell membrane electrode assemblies.

Steinbach, Andrew J. L.↗
DOE OSTI2022

Catalyst

Catalyst comprising a first layer having an outer layer with a layer comprising Pt directly thereon, wherein the first layer has an average thickness in a range from 0.04 to 30 nanometers, and wherein the layer. Catalysts described herein are useful, for example, in fuel cell membrane electrode assemblies.

Steinbach, Andrew J. L.↗
DOE OSTI2024

Catalyst

Catalysts comprising a Ta layer having an outer layer with a layer comprising Pt directly thereon, wherein the Ta layer has an average thickness in a range from 0.04 to 30 nanometers, wherein the layer comprising Pt has an average thickness in a range from 0.04 to 50 nanometers, and wherein the Pt and Ta are present in an atomic ratio in a range from 0.01:1 to 10:1. Catalyst described herein are useful, for example, in fuel cell membrane electrode assemblies.

Steinbach, Andrew J. L.↗
DOE OSTI2024

Catalyst

Nanoporous oxygen reduction catalyst material comprising at least 90 collectively Pt, Ni, and Ta. The nanoporous oxygen reduction catalyst material is useful, for example, in fuel cell membrane electrode assemblies.

Steinbach, Andrew J. L.↗
DOE OSTI2022

Design of Graded Cathode Catalyst Layers with Various Ionomers for Fuel Cell Application

Proton exchange membrane fuel cells (PEMFCs) powered by green hydrogen (H2) have become a promising alternative to conventional hydrocarbon-fueled power generators. Despite technological advancements, further improvements in efficiency, durability, and low-cost production are required for the widespread adoption of PEMFCs. Though numerous approaches to improve PEMFC electrodes have been reported, most strategies utilize a single material set (e.g., one combination of catalyst and ionomer) to improve performance. Alternatively, anisotropic (graded) electrode structures with locally tunable properties may yield superior electrode performance due to improved ionic and gas phase transport. In this work, graded cathode catalyst layers (CCLs) incorporating different ionomers (Nafion D2020, Aquivion D79-25BS, and HOPI) were designed and prepared. Performance screening shows that some of these graded electrode structures have comparable performance to optimized single-ionomer electrode structures (D2020) suggesting some synergistic benefit. Additionally, we show that electrodes with lower equivalent weight (EW) D79 ionomer near the membrane and D2020 ionomer near the gas diffusion media outperformed electrodes with the inverted configuration. Finally, EIS analysis shows some graded ionomer structures (e.g. D79/D2020) have better than expected H+ conductivity, generally leading to better electrode performance. However, further optimization of ionomer content and catalyst ink formulations is needed to improve overall PEMFC performance.

DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Amphipathic Binder Integrating Ultrathin and Highly Ion-Conductive Sulfide Membrane for Cell-Level High-Energy-Density All-Solid-State Batteries

Current sulfide solid-state electrolyte (SE) membranes utilized in all-solid-state lithium batteries (ASLBs) have a high thickness (0.5–1.0 mm) and low ion conductance (<25 mS), which limit the cell-level energy and power densities. Therefore, based on ethyl cellulose's unique amphipathic molecular structure, superior thermal stability, and excellent binding capability, this work fabricates a freestanding SE membrane with an ultralow thickness of 47 µm. With ethyl cellulose as an effective disperser and a binder, the Li 6 PS 5 Cl is uniformly dispersed in toluene and possesses superior film formability. In addition, an ultralow areal resistance of 4.32 Ω cm -2 and a remarkable ion conductance of 291 mS (one order higher than the state-of-the-art sulfide SE membrane) are achieved. The ASLBs assembled with this SE membrane deliver cell-level high gravimetric and volumetric energy densities of 175 Wh kg -1 and 675 Wh L -1 , individually.

25 ENERGY STORAGE↗
DOE OSTI2023

Grooved electrodes for high-power-density fuel cells

Proton exchange membrane fuel cells (PEMFCs) are leading candidates to decarbonize the transport sector, but widespread deployment will require improvements in lifetime, fuel economy and cost. Here we present the grooved electrode, an alternative electrode structure that enhances PEMFC performance and durability by coupling high ionomer (ion-conducting binder) content for improved H + transport with grooves for rapid O 2 transport. Grooved electrodes provide up to 50% higher performance than state-of-the-art conventional electrodes under standard operating conditions. Fuel cell diagnostics combined with multiphysics modelling demonstrate that grooved electrodes provide facile O 2 transport despite their high ionomer content, enabling improved reaction rate uniformity. Grooved electrodes also provide improved durability, with less performance loss after carbon corrosion compared with baseline electrodes. Machine learning analysis demonstrates the potential to further optimize grooved structures for next-generation PEMFCs with enhanced performance and durability, enabling smaller and cheaper fuel cell stacks with higher fuel efficiency.

25 ENERGY STORAGE↗
DOE OSTI2020

Final Technical Report for project entitled Highly Active, Durable, and Ultra-Low PGM NSTF Thin Film ORR Catalysts and Support

In this project, the objective was to develop new oxygen reduction reaction (ORR) electrocatalysts for proton exchange membrane fuel cells (PEMFCs) which could exceed all of the Department of Energy (DOE) 2020 targets listed in DE-FOA-0001224, Subtopic 1b, Table I. The expected outcome was development of one or more electrocatalysts which are substantially improved over the current state-of-the-art in terms of overall activity, durability, and cost, and are suitable for automotive traction and stationary fuel cell applications. This report summarizes this project’s progress towards meeting the stated objectives and includes a summary of key findings and conclusions. The development activities towards new highly active and durable thin film electrocatalysts has led to the discovery of several electrocatalysts which approached or exceeded several DOE 2020 targets for activity, durability, and performance in proton exchange membrane fuel cell (membrane electrode assemblies (MEAs). In this project, electrocatalyst development focused on systematic physical and electrochemical characterization of electrocatalyst activity, durability, and performance in MEAs as a function of electrocatalyst fabrication, compositional and structural variables. The project approach was to develop relationships between the catalyst functional responses (activity, durability and performance) with catalyst physical properties and catalyst fabrication methods. Additionally, the thin film catalysts were integrated onto the unique and durable 3M Nanostructured Thin Film (NSTF) support, consisting of arrays of self-assembled organic crystalline whiskers. The catalysts were evaluated against the project targets via extensive electrochemical characterization in MEA format at 3M, advanced structural and compositional microscopy at Oak Ridge National Laboratory (ORNL), and atomic structure analysis via XAFS at Argonne National Laboratory (ANL). The extensive electrochemical and physical characterization resulted in development of several trends which correlate the catalysts’ electrochemical properties to their physical properties, including composition, structure, and method of fabrication. The development was guided by density functional theory (DFT) modeling at Purdue University and kinetic Monte Carlo (kMC) modeling at Johns Hopkins University. The catalyst simulations provided key insights into the observed experimental activity and durability trends, and additionally were utilized to assess new electrocatalyst concepts prior to or coincident with physical catalyst development. This development has led to several electrocatalyst candidates with activity and durability which approach or exceed DOE targets. One class of catalysts, based on nm-scale thin layers of Pt on Ir, met or exceeded 6 of the 6 DOE targets the project addressed.

08 HYDROGEN↗
DOE OSTI2021

Editors’ Choice—Diffusion Media for Cation Contaminant Transport Suppression into Fuel Cell Electrodes

Polymer electrolyte membrane fuel cells provide an alternative option to fossil fuel-based energy conversion devices. However, the corrosion of fuel cell components, specifically the bipolar plates, introduces contaminants (e.g., Fe, Ni) into the membrane electrode assembly (MEA). These contaminants accelerate the ionomer degradation by acting as a Fenton’s reagent, decreasing the fuel cell’s durability. This study presents the mechanism and the diffusion media properties affecting the transport of cation contaminants into the MEA. Cation contaminant transport was studied after altering the gas diffusion layers (GDLs) wettability, emulating the GDL properties after prolonged operation, by ex situ hydrogen peroxide treatment or in situ electrochemical potential cycling. A GDL with crack-free microporous layer (MPL) showed a lower cation transport rate to the catalyst layer than MPL with cracks after both ex situ and in situ treatment. A novel GDL was developed from modification of the conventional GDL via the addition of a hydrophobic layer to the GDL substrate, which suppressed the contaminant cation transport significantly. This novel GDL also showed improved fuel cell performance.

25 ENERGY STORAGE↗
DOE OSTI2021

Resolving Anodic Current and Temperature Distributions in a Polymer Electrolyte Membrane Water Electrolysis Cell Using a Pseudo-Two-Phase Computational Fluid Dynamics Model

Expanding upon our prior experimental work, we constructed a three-dimensional model of a polymer electrolyte membrane water electrolyzer using computational fluid dynamics. We applied the assumption of pseudo-two-phase flow, the flow of two phases with equal velocity. Experimental data were used to obtain parameters and to determine the conditions under which this model was valid. Anodic distributions of current density, temperature, liquid saturation, and relative humidity were obtained at various flow rates. The overall current density and temperature difference from inlet to outlet at the anode agreed strongly with experimental measurements under most circumstances. This verification allowed us to further examine the apparent gas coverage calculated from experimental and model temperature data. Results suggested a low liquid saturation and low relative humidity at the anode due to the consumption of liquid water and water vapor. However, we questioned the accuracy of the pseudo-two-phase assumption at low water feed rates. We concluded that the model was applicable to systems with liquid water feed rates greater than 0.6 ml min -1 cm -2 . Therefore, it is a fair screening method that can advise which operating conditions lead to excessive temperatures or drying at the anode, thereby promoting the longevity of the membrane and catalyst.

25 ENERGY STORAGE↗
DOE OSTI2021

Fabrication and Characterization of Cross-Linked Phenyl-Acrylate-Based Ion Exchange Membranes and Performance in a Direct Urea Fuel Cell

Ion exchange membranes (IEMs) are crucial for direct fuel cells, including direct methanol and direct urea fuel cells (DUFCs). While commercially available IEMs (e.g., FAA-3-50) show decent power density in direct fuel cells, they experience considerable methanol or urea crossover, reducing device performance and motivating design of IEMs that suppress fuel crossover. Here, we prepare cross-linked IEMs with high mechanical toughness utilizing a cross-linker (methylenebis(acrylamide)), hydrophobic monomer (phenyl acrylate (PA) or phenyl methacrylate (PMA)), and charged monomer (2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS) for cation exchange or methacroylcholine chloride (MACC) for anion exchange). To validate these membranes in a fuel cell application, we perform DUFC experiments utilizing a PA/MACC AEM and observe good power density compared to FAA-3-50. Furthermore, to understand the role of urea crossover in DUFC performance, permeabilities of both membranes to urea are measured by diffusion cells with in situ ATR-FTIR spectroscopy, where our PA/MACC exhibited lower urea permeability than FAA-3-50.

36 MATERIALS SCIENCE↗