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At least 739 records · Page 41

Intrinsic Lyα Profiles of High-velocity G, K, and M Dwarfs

Observations of HILymanα, the brightest UV emission line of late-type stars, are critical for understanding stellar chromospheres and transition regions, modeling photochemistry in exoplanet atmospheres, and measuring the abundances of neutral hydrogen and deuterium in the interstellar medium. Yet Lyαobservations are notoriously challenging owing to severe attenuation from interstellar gas, hindering our understanding of this important emission line’s basic morphology. We present high-resolution far- and near-UV spectroscopy of five G, K, and M dwarfs with radial velocities large enough to Doppler-shift the stellar Lyαemission line away from much of the interstellar attenuation, allowing the line core to be directly observed. We detect self-reversal in the Lyαemission-line core for all targets, and we show that the self-reversal depth decreases with increasing surface gravity. Mg II self-reversed emission-line profiles provide some useful information to constrain the Lyαline core, but the differences are significant enough that Mg II cannot be used directly as an intrinsic Lyαtemplate during reconstructions. We show that reconstructions that neglect self-reversal could overestimate intrinsic Lyαfluxes by as much as 60%–100% for G and K dwarfs and 40%–170% for M dwarfs. The five stars of our sample have low magnetic activity and subsolar metallicity; a larger sample size is needed to determine how sensitive these results are to these factors.

Allison Youngblood↗

A New Era for Modern Bubble Chamber Technology: Cooling and Real-Time Control for the MAMBA Neutrino Bubble Chamber∗

Future neutrino experiments such as DUNE will be limited less by statistics than by how well neutrino--nucleus interactions are understood, and the cleanest way to improve that understanding is to measure interactions with light nuclei such as hydrogen or deuterium. The detector best suited to the job, the bubble chamber, has not been built for a neutrino beam in about fifty years. MAMBA (Modern Adaptive Modular Bubble chamber Archetype) is a small prototype at Fermilab intended to bring the technology back with modern cryogenics and automation, cycling continuously at 1~Hz. This paper summarizes my work on two of its subsystems during a summer internship. A new solid copper thermal link brought the coldhead to 21.3~K in a commissioning cooldown, near the 20~K operating target. An Industrial Shields Raspberry Pi programmable logic controller (PLC) running OpenPLC was characterized at a median round-trip response of 0.64~ms over 20,000 trials, with 0.66\% of trials exceeding 1~ms. Both results support continuous cycling.

Williams, Nicholas [Fermilab; DuPage Coll.]↗

Benchmarking Guanidinium Organosulfonate Hydrogen-Bonded Frameworks for Structure Determination of Encapsulated Guests

Single crystal X-ray diffraction (SCXRD) is arguably the most definitive method for molecular structure determination, but it is often challenged by compounds that are liquids or oils at room temperature or do not form crystals adequate for analysis. Our laboratory previously reported a simple, cost-effective, single-step crystallization method based on guanidinium organosulfonate (GS) hydrogen bonded frameworks for structure determination of a wide range of encapsulated guest molecules, including assignment of the absolute configuration of chiral centers. Herein, we expand on those results and report a head-to-head comparison of the GS method with adamantoid “molecular chaperones”, which have been reported to be useful hosts for structure determination. Inclusion compounds limited to only two GS hosts are characterized by low R1 values and Flack parameters, infrequent disorder of the host and guest, and manageable disorder when it does exist. The structures of some target molecules that were not included or resolved using the adamantoid chaperones were successfully included and resolved by the GS hosts, and vice versa. Of the 32 guests attempted by the GS method, 31 inclusion compounds afforded successful guest structure solutions, a 97% success rate. The GS hosts and adamantoid chaperones are complementary with respect to guest inclusion, arguing that both should be employed in the arsenal of methods for structure determination. Furthermore, the low cost of organosulfonate host components promises an accessible route to molecular structure determination for a wide range of users.

36 MATERIALS SCIENCE↗

NUB1 traps unfolded FAT10 for ubiquitin-independent degradation by the 26S proteasome

The ubiquitin-like modifier FAT10 targets hundreds of proteins in the mammalian immune system to the 26S proteasome for degradation. This degradation pathway requires the cofactor NUB1, yet the underlying mechanisms remain unknown. Here, we reconstituted a minimal in vitro system with human components and revealed that NUB1 uses the intrinsic instability of FAT10 to trap its N-terminal ubiquitin-like domain in an unfolded state and deliver it to the 26S proteasome for engagement, allowing the degradation of FAT10-ylated substrates in a ubiquitin-independent and p97-independent manner. Using hydrogen–deuterium exchange, structural modeling and site-directed mutagenesis, we identified the formation of an intricate complex with FAT10 that activates NUB1 for docking to the 26S proteasome, and our cryo-EM studies visualized the highly dynamic NUB1 complex bound to the proteasomal Rpn1 subunit during FAT10 delivery and the early stages of ATP-dependent degradation. These findings identified a previously unknown mode of cofactor-mediated, ubiquitin-independent substrate delivery to the 26S proteasome that relies on trapping partially unfolded states for engagement by the proteasomal ATPase motor.

Arkinson, Connor↗

Global patterns of diversity and metabolism of microbial communities in deep-sea hydrothermal vent deposits

When deep-sea hydrothermal fluids mix with cold oxygenated fluids, minerals precipitate out of solution and form hydrothermal deposits. These actively venting deep-sea hydrothermal deposits support a rich diversity of thermophilic microorganisms which are involved in a range of carbon, sulfur, nitrogen, and hydrogen metabolisms. Global patterns of thermophilic microbial diversity in deep-sea hydrothermal ecosystems have illustrated the strong connectivity between geological processes and microbial colonization, but little is known about the genomic diversity and physiological potential of these novel taxa. Here we explore this genomic diversity in 42 metagenomes from four deep-sea hydrothermal vent fields and a deep-sea volcano collected from 2004 to 2018 and document their potential implications in biogeochemical cycles. Our dataset represents 3635 metagenome-assembled genomes encompassing 511 novel and recently identified genera from deep-sea hydrothermal settings. Some of the novel bacterial (107) and archaeal genera (30) that were recently reported from the deep-sea Brothers volcano were also detected at the deep-sea hydrothermal vent fields, while 99 bacterial and 54 archaeal genera were endemic to the deep-sea Brothers volcano deposits. We report some of the first examples of medium- (≥ 50% complete, ≤ 10% contaminated) to high-quality (> 90% complete, < 5% contaminated) MAGs from phyla and families never previously identified, or poorly sampled, from deep-sea hydrothermal environments. We greatly expand the novel diversity of Thermoproteia, Patescibacteria (Candidate Phyla Radiation, CPR), and Chloroflexota found at deep-sea hydrothermal vents and identify a small sampling of two potentially novel phyla, designated JALSQH01 and JALWCF01. Metabolic pathway analysis of metagenomes provides insights into the prevalent carbon, nitrogen, sulfur, and hydrogen metabolic processes across all sites and illustrates sulfur and nitrogen metabolic “handoffs” in community interactions. We confirm that Campylobacteria and Gammaproteobacteria occupy similar ecological guilds but their prevalence in a particular site is driven by shifts in the geochemical environment. Our study of globally distributed hydrothermal vent deposits provides a significant expansion of microbial genomic diversity associated with hydrothermal vent deposits and highlights the metabolic adaptation of taxonomic guilds. Collectively, our results illustrate the importance of comparative biodiversity studies in establishing patterns of shared phylogenetic diversity and physiological ecology, while providing many targets for enrichment and cultivation of novel and endemic taxa.

59 BASIC BIOLOGICAL SCIENCES↗

Cryogenic Hydrogen Oxygen Propulsion System for Planetary Science Missions

A Cryogenic Hydrogen Oxygen Propulsion System (CHOPS) that uses liquid hydrogen (LH2) and liquid oxygen (LO2) propellants can dramatically enhance NASA's ability to explore the solar system due to their superior specific impulse (Isp) capability. Although these cryogenic propellants can be challenging to manage and store, they allow significant mass advantages over traditional hypergolic propulsion systems and are therefore enabling for many planetary science missions. New cryogenic storage techniques such as subcooling, advanced insulation, low thermal conductivity structures allow for the long term storage and use of cryogenic propellants for solar system exploration and hence allow NASA to deliver more payloads to targets of interest, launch on smaller and less expensive launch vehicles, or both.

Mustafi, Shouvanik↗

Intrinsic Lyman Alpha Profiles of High-Velocity G, K, and M Dwarfs

Observations of H I Lyman alpha, the brightest UV emission line of late-type stars, are critical for understanding stellar chromospheres and transition regions, modeling photochemistry in exoplanet atmospheres, and measuring the abundances of neutral hydrogen and deuterium in the interstellar medium. Yet, Lyman alpha observations are notoriously challenging due to severe attenuation from interstellar gas, hindering our understanding of this important emission line's basic morphology. We present high-resolution far- and near-UV spectroscopy of five G, K, and M dwarfs with radial velocities large enough to Doppler shift the stellar Lyman alpha emission line away from much of the interstellar attenuation, allowing the line core to be directly observed. We detect self-reversal in the Lyman alpha emission line core for all targets, and we show that the self-reversal depth decreases with increasing surface gravity. Mg II self-reversed emission line profiles provide some useful information to constrain the Lyman alpha line core, but the differences are significant enough that Mg II cannot be used directly as an intrinsic Lyman alpha template during reconstructions. We show that reconstructions that neglect self-reversal could overestimate intrinsic Lyman alpha fluxes by 60-100% for G and K dwarfs and 40-170% for M dwarfs.

Allison Ann Youngblood↗

Developing Fuel Cell Electric Powertrain Architectures for Commercial Vehicles

Here, this article addresses the architecture development for a commercial vehicle fuel cell electric powertrain by establishing a clear multi-step formalized workflow that employs a unique technoeconomic solution for architecture selection. The power capability of the fuel cell, the energy capacity and chemistry of the electrical energy storage (battery), the DC-DC converter (including the input current rating and isolation resistance requirements), the traction drive solution, the on-board hydrogen storage solution, and the real-time power-split management of the fuel cell and the battery are all considered and developed in this effort. The methods were used to select architecture for Class 8 urban, regional, and line haul applications. When compared to traditional load-following power-split controllers, an energy management power-split controller can increase system energy efficiency by up to 19.5%. The energy-efficient power-split controller may increase the required battery capacity for an equivalent life by up to 2.6 times. The impact on the total cost of ownership (TCO) for a variety of financial cases demonstrates that high C-rate capable batteries have the potential to provide better TCO solutions over a six-year vehicle life than low C-rate capable batteries. To achieve TCO parity with the 600 A non-isolated DC-DC converter case, the specific choice of the fuel cell DC-DC converter to achieve a target power output based on current levels (from 500 A to 2400 A) shows that efficiency decreases and cost increases due to the higher current, requiring fuel cell prices to decrease by $50–$100/kW, $60–$110/kW, and $100–$220/kW for urban, regional, and line haul applications, respectively. Key recommendations for powertrain system architectures are provided, with specifics based on vehicle dynamics, mission and application characteristics, end customer use-case profile, critical powertrain component costs, and architecture selection cost function. This study rigorously demonstrates the interplay of the above parameters, with a focus on TCO, and provides application decision-makers with a mechanism and well-defined set of impact factors to consider as part of their architecture selection process.

25 ENERGY STORAGE↗

SunLine Transit Agency Fuel Cell Electric Bus Progress Report - Data Period Focus: Jan. 2020 through Dec. 2021 [Slides]

This report presents early results from a deployment of fuel cell electric buses (FCEBs) operated by SunLine Transit Agency in the Coachella Valley area of California. The five FCEBs, produced by New Flyer, feature an electric drive propulsion system powered by a Ballard fuel cell system. The project team is collaborating with the U.S. Department of Energy (DOE) and DOE's National Renewable Energy Laboratory (NREL) to evaluate the buses in revenue service. The goal of this evaluation is to compare the FCEB performance to that of conventional technology and to track progress over time toward meeting the technical targets set by DOE and the Department of Transportation (DOT). The FCEBs were delivered beginning in mid-2019. The data period covers January 2020 through December 2021. NREL collects data on five 2019 model year compressed natural gas (CNG) buses as a baseline comparison at SunLine. These new CNG buses were phased into service beginning in April 2020.

08 HYDROGEN↗

Scientific Assessment of Stratospheric Ozone: 1989, volume 2. Appendix: AFEAS Report

The results are presented of the Alternative Fluorocarbon Environmental Acceptability Study (AFEAS), which was organized to evaluate the potential effects on the environment of alternate compounds targeted to replace fully halogenated chlorofluorocarbons (CFCs). All relevant current scientific information to determine the environmental acceptability of the alternative fluorocarbons. Special emphasis was placed on: the potential of the compounds to affect stratospheric ozone; their potential to affect tropospheric ozone; their potential to contribute to model calculated global warming; the atmospheric degradation mechanisms of the compounds, in order to identify their products; and the potential environmental effects of the decomposition products. The alternative compounds to be studied were hydrofluorocarbons (HFCs) with one or two carbon atoms and one or more each of fluorine and hydrogen.

Source record↗

Texas Spectroscopic Search for Lyα Emission at the End of Reionization. III. The Lyα Equivalent-width Distribution and Ionized Structures at z > 7

Lyα emission from galaxies can be utilized to characterize the ionization state in the intergalactic medium (IGM). We report our search for Lyα emission at z > 7 using a comprehensive Keck/MOSFIRE near-infrared spectroscopic data set, as part of the Texas Spectroscopic Search for Lyα Emission at the End of Reionization Survey. We analyze data from 10 nights of MOSFIRE observations which together target 72 high-z candidate galaxies in the GOODS-N field, all with deep exposure times of 4.5–19 hr. Utilizing an improved automated emission-line search, we report 10 Lyα emission lines detected (>4σ) at z > 7, significantly increasing the spectroscopically confirmed sample. Our sample includes large equivalent-width (EW) Lyα emitters (>50 Å), and additional tentative Lyα emission lines detected at 3σ–4σ from five additional galaxies. We constrain the Lyα EW distribution at z ~ 7.6, finding a significant drop from z ≲ 6, suggesting an increasing fraction of neutral hydrogen (H I) in the IGM in this epoch. We estimate the Lyα transmission through the IGM (=EW(z)~7.6/EW(z~2–6)) and infer an IGM H I fraction (X(HI)) of 49 (+19,-19)% at z ~ 7.6, which is lower in modest tension (>1σ) with recent measurements at z ~ 7.6. The spatial distribution of the detected Lyα emitters implies the presence of a potential highly ionized region at z ~ 7.55, which hosts four Lyα emitters within a ∼40 cMpc spatial separation. The prominence of this ionized region in our data set could explain our lower inferred value of X(HI), though our analysis is also sensitive to the chosen reference Lyα EW distribution values and reionization models.

Intae Jung↗

Monolithic Photoelectrochemical CO 2 Reduction Producing Syngas at 10% Efficiency

We report increasing anthropogenic carbon dioxide emissions have prompted the search for photoelectrochemical (PEC) methods of converting CO 2 to useful commodity products, including fuels. Ideally, such PEC approaches will be sustained using only sunlight, water, and CO 2 as energetic and reactant inputs. However, low peak conversion efficiencies (< 5%) have made commercialization of fully-integrated PEC devices prohibitive. Here, a 4 cm 2 monolithic PEC device exceeding 10% solar-to-fuel efficiency with principal fuel products of carbon monoxide and hydrogen is reported. The corresponding solar-to-CO and solar-to-H 2 efficiencies are 7% and 3.5%, respectively. Screening of a range of operating conditions reveals a tunable product mixture of H 2 and CO using a gold electrocatalyst. Accordingly, it is shown that device optimization yields a H 2 -to-CO ratio of 1:2 commonly present in synthesis gas (syngas). Notably, the modularity and facile fabrication of this device permit the incorporation of a broad array of materials for various applications. For example, the electrocatalyst may easily be swapped to target a different set of products.

36 MATERIALS SCIENCE↗

Can the Hock Process Be Used to Produce Phenol from Polystyrene?

Polystyrene (PS) is a widely used thermoplastic polymer, but its very low recycling rate has motivated consideration of chemical conversion strategies to convert waste PS into value-added products. Oxidation methods have been widely studied, but they typically generate benzoic acid, a product with a relatively low market demand. Phenol is a higher volume chemical that would be an appealing target, but no methods currently exist for the conversion of PS into phenol. The repeat unit in PS closely resembles cumene, the primary feedstock used to produce phenol through the Hock process. Here, we investigate prospects for adapting the Hock process to PS, generating hydroperoxides through the autoxidation of benzylic C–H bonds followed by the acid-promoted rearrangement of the hydroperoxides to afford phenol and a partially oxygenated polymer. Experimental and computational studies of dimeric and trimeric PS model compounds show that neighboring phenyl rings impose conformational constraints that raise the barrier to hydrogen-atom transfer from the tertiary benzylic C–H bond. These effects are also evident with PS and contribute to lower yields of phenol when PS is subjected to Hock process conditions. Furthermore, these results provide valuable insights that have important implications for other efforts that seek to adapt small-molecule reactivity to polymeric feedstocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fluid-kinetic modeling of a high power density radio frequency inductively coupled positive hydrogen ion source

High power density radio-frequency (RF) inductively coupled positive ion sources are attractive candidates for next-generation neutral beam injection (NBI) systems, where higher injected power and longer pulse lengths are desired without sacrificing source reliability. Operating at absorbed power densities of order $\gt 1~\mathrm{W\,cm}^{-3}$ places these sources in a regime with stronger gas heating, higher dissociation, and non-Maxwellian electron energy distributions. The Large Uniform Plasma for Ionizing Neutrals (LUPIN) is an RF inductively coupled plasma source designed to explore this high power density regime and to provide guidance for a positive ion source upgrade for the DIII-D NBI system. LUPIN is designed to operate at up to 20 kW of RF power at 2 MHz, coupling energy through a cylindrical quartz vessel to achieve target ion current densities of $2100\,\mathrm{A\,m}^{-2}$ . This paper presents fluid-kinetic modeling of LUPIN using the hybrid plasma equipment model where electrons are treated kinetically, and the simulations reveal that electron energy distribution function transitions from nearly Maxwellian in the core to bi-Maxwellian towards the edge. Parametric simulations investigate the effects of RF power, gas pressure, and frequency on plasma density, ion flux, and uniformity. Parametric sweeps reveal that increasing power shifts the primary ionization channel from molecular to atomic with diminishing flux gains due to skin-depth contraction and gas rarefaction. Higher frequency localizes heating and increases $\mathrm{H}_2^+$ and $\mathrm{H}_3^+$ delivery to the grid, while elevated pressure boosts ionization yet hinders ion transport due to increase in collisionality.

inductively coupled plasma↗

Surface Composition Impacts Selectivity of ZnTe Photocathodes in Photoelectrochemical CO 2 Reduction Reaction

Light-driven reduction of CO 2 into chemicals using a photoelectrochemical (PEC) approach is considered as a promising way to meet the carbon neutral target. The very top surface of the photoelectrode and semiconductor/electrolyte interface plays a pivotal role in defining the performance for PEC CO 2 reduction. However, such impact remains poorly understood. Here, we report an electrodeposition-annealing route for tailoring surface composition of ZnTe photocathodes. Our work demonstrates that a Zn-rich surface on the ZnTe photocathode is essential to impact the CO 2 reduction activity and selectivity. In particular, the Zn-rich surface not only facilitated the interfacial charge carrier transfer, but also acted as electrocatalyst for boosting carbon product selectivity and suppressing the hydrogen evolution reaction. This work provides a new avenue to optimize the photocathode, as well as improvement of the CO 2 RR performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Role of Asparagine as a Gatekeeper Residue in the Selective Binding of Rare Earth Elements by Lanthanide‐Binding Peptides

Abstract Lanthanide‐binding tag (LBT) peptides selectively complex lanthanide cations (Ln 3+ ) in their binding pockets and are promising for lanthanide separation. However, designing LBTs that selectively target specific Ln 3+ cations remains a challenge due to limited molecular‐level understanding and control of interactions within the lanthanide‐binding pocket. In this study, we reveal that the N5 asparagine residue acts as a gatekeeper in the binding pocket, resulting in a 100‐fold selectivity for smaller Lu 3+ over larger La 3+ cations. Nuclear magnetic resonance spectroscopy and molecular dynamics simulations show that the N5 residue weakly binds to the larger La 3+ cation, permitting H 2 O molecules inside the pocket. For the smaller Lu 3+ cations, the N5 residue forms an inter‐arm hydrogen bond with the E14 glutamic acid residue, locking the Lu 3+ cation in the pocket and preventing H 2 O infiltration. Mutating the N5 asparagine to a D5 aspartic acid prevents such a hydrogen bond, eliminating the gatekeeping mechanism and precipitously reducing selectivity. The resulting binding affinity to Ln 3+ cations is non‐monotonic but generally increases with cation size. These results suggest a molecular design paradigm: the reduced affinity for larger lanthanides is due to open pocket conformations, while the selectivity of smaller Ln 3+ cations over larger ones is due to the gatekeeping hydrogen bond.

Chemistry↗

Switching CO 2 Electroreduction Selectivity Between C 1 and C 2 Hydrocarbons on Cu Gas-Diffusion Electrodes

We report that regulating the selectivity toward a target hydrocarbon product is still the focus of CO 2 electroreduction. Here, we discover that the original surface Cu species in Cu gas-diffusion electrodes plays a more important role than the surface roughness, local pH, and facet in governing the selectivity toward C 1 or C 2 hydrocarbons. The selectivity toward C 2 H 4 progressively increases, while CH 4 decreases steadily upon lowering the Cu oxidation species fraction. At a relatively low electrodeposition voltage of 1.5 V, the Cu gas-diffusion electrode with the highest Cu δ+ /Cu 0 ratio favors the pathways of hydrogenation to form CH 4 with maximum Faradaic efficiency of 65.4% and partial current density of 228 mA cm -2 at -0.83 V vs RHE. At 2.0 V, the Cu gas-diffusion electrode with the lowest Cu δ+ /Cu 0 ratio prefers C–C coupling to form C 2+ products with Faradaic efficiency topping 80.1% at -0.75 V vs RHE, where the Faradaic efficiency of C 2 H 4 accounts for 46.4% and the partial current density of C 2 H 4 achieves 279 mA cm -2 . This work demonstrates that the selectivity from CH 4 to C 2 H 4 is switchable by tuning surface Cu species composition of Cu gas-diffusion electrodes.

36 MATERIALS SCIENCE↗

National Opacity Program: Analysis of Opacity-relevant X-ray Emission Spectra (Milestone Report ID 7121)

We have produced high energy density iron plasmas at temperatures above 1 keV and electron densities exceeding 1023 cm -3 (~ 1 g/cm 3 ) using the Orion laser at the Atomic Weapons Establishment. These plasmas were created by irradiating 50 µm diameter layered targets with frequency doubled (λ = 527 nm), 1 ps laser pulses focused to a 100 µm diameter producing an irradiance of ~ 2 x 10 18 W/cm 2 . The buried layer targets consist of 160 nm iron sulfide (FeS), 60 nm potassium chloride (KCl), and 15 nm carbon. The combined layers are tamped on both sides with 3 µm of parylene-N. The x-ray emission from the plasma was measured using two time-resolved, and four time-integrated Bragg crystal spectrometers, as well as one time-integrated imaging system. One time-resolved x-ray spectrometer measured emission from L-shell transitions in highly charged iron, the other from K-shell transitions in helium-like S 14+ and hydrogen-like S 15+ . The time-integrated spectrometers are intensity-calibrated and measured emission from K-shell transitions in sulfur, potassium, chlorine, and both K-shell and L-shell transitions in iron. The density and temperature of the plasma were determined by modeling the x-ray spectra using different spectral and hydrodynamic modeling packages. A brief overview of the uncertainties associated with the measurements and models are presented. We also give an overview of our 1-D HYDRA-DCA radiation-hydrodynamics model and improvements for future work. Our results aid in assessing experimental uncertainties associated with plasma uniformity and with x-ray emission employed as diagnostics in opacity experiments at temperatures and densities not achievable elsewhere and represent a significant step in creating and diagnosing plasmas near LTE. These results are summarized as part of the completion requirements for milestone 7121

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗