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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

First observation of the production of three massive vector bosons and search for long-lived particles using delayed photons in pp collisions at $\sqrt{s}=13\text{ TeV}$

This thesis presents the first observation of the production of three massive vector bosons (VVV with V = W, Z) in proton-proton collisions at the LHC at $\sqrt{s}=13\text{ TeV}$. The search was performed in final states with two same-sign charged leptons (electrons or muons) plus one or two jets, and three, four, five, or six leptons from WWW, WWZ, WZZ and ZZZ decays, with a data sample corresponding to an integrated luminosity of 137 fb -1 collected by the CMS experiment during 2016-2018. The observed (expected) significance of the combined VVV production is 5.7 (5.9) standard deviations, and the production cross section is measured to be 1010$^{+210}_{-200}$(stat) $^{+150}_{-120}$(syst) fb, corresponding to a signal strength of 1.02$^{+0.26}_{-0.23}$. We also found evidence for WWW and for WWZ production, with observed significances of 3.3 and 3.4 standard deviations, respectively. The measured production cross sections for individual VVV processes are also reported. The establishment of VVV production opens a new program of many standard model studies (such as gauge-gauge and Higgs-gauge couplings), and provides a new tool for many new physics searches (such as anomalous gauge coupling searches, new resonance searches). This thesis also reports a search for long-lived supersymmetry particles decaying to photons in proton-proton collisions at the LHC at $\sqrt{s} = 13 TeV$, with a data sample corresponding to an integrated luminosity of 77.4 fb -1 collected by CMS during 2016-2017. Results are interpreted with a gauge-mediated supersymmetry breaking model, where the long-lived particle is a neutralino and the lightest supersymmetry particle is a gravitino. For neutralino proper decay lengths of 0.1, 1, 10, and 100 m, masses up to 320, 525, 360, and 215 GeV are excluded at 95% confidence level, respectively. This result extends the limits from previous searches by one order of magnitude for the neutralino proper decay length and up to 100 GeV more for the neutralino mass. Motivated by the need for precision timing measurements for long-lived particle searches, as well as for improvements in general object reconstruction performance, the timing performance of two types of sensors are studied in this thesis: one with a Cerium doped Lutetium Yttrium Orthosilicate (LYSO:Ce) crystal as the scintillator and a silicon photomultiplier (SiPM) as the photodetector, another with a Cadmium-Telluride sensor as the active material for a sampling calorimeter. Both setups have been demonstrated with test beams to be able to provide timing measurements of particles with a resolution below 30 ps.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Ice-shelf freshwater triggers for the Filchner–Ronne Ice Shelf melt tipping point in a global ocean–sea-ice model

Some ocean modeling studies have identified a potential tipping point from a low to a high basal melt regime beneath the Filchner–Ronne Ice Shelf (FRIS), Antarctica, with significant implications for subsequent Antarctic ice sheet mass loss. To date, investigation of the climate drivers and impacts of this possible event have been limited because ice-shelf cavities and ice-shelf melting are only now starting to be included in global climate models. Using a global ocean–sea-ice configuration of the Energy Exascale Earth System Model (E3SM) that represents both ocean circulations and melting within ice-shelf cavities, we explore freshwater triggers (iceberg melt and ice-shelf basal melt) of a transition to a high-melt regime at FRIS in a low-resolution (30 km in the Southern Ocean) global ocean–sea-ice model. We find that a realistic spatial distribution of iceberg melt fluxes is necessary to prevent the FRIS melt regime change from unrealistically occurring under historical-reanalysis-based atmospheric forcing. Further, improvement of the default parameterization for mesoscale eddy mixing significantly reduces a large regional fresh bias and weak Antarctic Slope Front structure, both of which precondition the model to melt regime change. Using two different stable model con figurations, we explore the sensitivity of FRIS melt regime change to regional ice-sheet freshwater fluxes. Through a series of sensitivity experiments prescribing incrementally increasing melt rates from the smaller, neighboring ice shelves in the eastern Weddell Sea, we demonstrate the potential for an ice-shelf melt “domino effect” should the upstream ice shelves experience increased melt rates. The experiments also reveal that modest ice-shelf melt biases in a model, especially at coarse ocean resolution where narrow continental shelf dynamics are not well resolved, can lead to an unrealistic melt regime change at downstream ice shelves. Thus, we find that remote connections between melt fluxes at different ice shelves are sensitive to baseline model conditions. Our results highlight both the potential and the peril of simulating prognostic Antarctic ice-shelf melt rates in a low-resolution global model.

58 GEOSCIENCES↗
DOE OSTI2025

Sizing Accuracy of Low-Cost Optical Particle Sensors Under Controlled Laboratory Conditions

Low-cost particulate matter sensors have seen increased use for monitoring at personal and local levels due to their affordability, ease of operation, and high time resolution. However, the quality of data reported by these sensors can be questionable, and a thorough evaluation of their performance is necessary. This study evaluated the particle sizing accuracy of several commonly used optical sensors, including the Alphasense optical particle counter (OPC), TSI DustTrak DRX aerosol monitor, Plantower PMS5003 sensor, and Sensirion SPS30 sensor, using laboratory-generated monodisperse particles. The OPC and DRX agreed partially with reference instruments and showed promise in detecting coarse-size particles. However, the PMS5003 and SPS30 did not correctly size fine and coarse particles. Furthermore, their reported mass distributions do not directly correspond to their number distribution. Despite these limitations, field measurements involving a dust storm period showed that the SPS30 correlated reasonably well with reference instruments for both PM2.5 and PM10, though the regression slopes differed significantly. These findings underscore the need for caution when interpreting data from low-cost optical sensors, particularly for coarse particles. Recommendations for improving the performance of these sensors are also provided.

Gautam, Prakash↗
DOE OSTI2024

Ice-shelf freshwater triggers for the Filchner–Ronne Ice Shelf melt tipping point in a global ocean–sea-ice model

Abstract. Some ocean modeling studies have identified a potential tipping point from a low to a high basal melt regime beneath the Filchner–Ronne Ice Shelf (FRIS), Antarctica, with significant implications for subsequent Antarctic ice sheet mass loss. To date, investigation of the climate drivers and impacts of this possible event have been limited because ice-shelf cavities and ice-shelf melting are only now starting to be included in global climate models. Using a global ocean–sea-ice configuration of the Energy Exascale Earth System Model (E3SM) that represents both ocean circulations and melting within ice-shelf cavities, we explore freshwater triggers (iceberg melt and ice-shelf basal melt) of a transition to a high-melt regime at FRIS in a low-resolution (30 km in the Southern Ocean) global ocean–sea-ice model. We find that a realistic spatial distribution of iceberg melt fluxes is necessary to prevent the FRIS melt regime change from unrealistically occurring under historical-reanalysis-based atmospheric forcing. Further, improvement of the default parameterization for mesoscale eddy mixing significantly reduces a large regional fresh bias and weak Antarctic Slope Front structure, both of which precondition the model to melt regime change. Using two different stable model configurations, we explore the sensitivity of FRIS melt regime change to regional ice-sheet freshwater fluxes. Through a series of sensitivity experiments prescribing incrementally increasing melt rates from the smaller, neighboring ice shelves in the eastern Weddell Sea, we demonstrate the potential for an ice-shelf melt “domino effect” should the upstream ice shelves experience increased melt rates. The experiments also reveal that modest ice-shelf melt biases in a model, especially at coarse ocean resolution where narrow continental shelf dynamics are not well resolved, can lead to an unrealistic melt regime change at downstream ice shelves. Thus, we find that remote connections between melt fluxes at different ice shelves are sensitive to baseline model conditions. Our results highlight both the potential and the peril of simulating prognostic Antarctic ice-shelf melt rates in a low-resolution global model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

PIONEER: Studies of Rare Pion Decays

A next-generation rare pion decay experiment, PIONEER, is strongly motivated by several inconsistencies between Standard Model (SM) predictions and data pointing towards the potential violation of lepton flavor universality. It will probe non-SM explanations of these anomalies through sensitivity to quantum effects of new particles even if their masses are at very high scales. Measurement of the charged-pion branching ratio to electrons vs. muons $R_{e/\mu}$ is extremely sensitive to new physics effects. At present, the SM prediction for $R_{e/\mu}$ is known to 1 part in $10^4$, which is 15 times more precise than the current experimental result. An experiment reaching the theoretical accuracy will test lepton flavor universality at an unprecedented level, probing mass scales up to the PeV range. Measurement of pion beta decay, $\pi^+\to \pi^0 e^+ \nu (\gamma)$, with 3 to 10-fold improvement in sensitivity, will determine $V_{ud}$ in a theoretically pristine manner and test CKM unitarity, which is very important in light of the recently emerged tensions. In addition, various exotic rare decays involving sterile neutrinos and axions will be searched for with unprecedented sensitivity. The experiment design benefits from experience with the recent PIENU and PEN experiments at TRIUMF and the Paul Scherrer Institut (PSI). Excellent energy and time resolutions, greatly increased calorimeter depth, high-speed detector and electronics response, large solid angle coverage, and complete event reconstruction are all critical aspects of the approach. The PIONEER experiment design includes a 3$\pi$ sr 25 radiation length calorimeter, a segmented low gain avalanche detector stopping target, a positron tracker, and other detectors. Using intense pion beams, and state-of-the-art instrumentation and computational resources, the experiments can be performed at the PSI ring cyclotron.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Leveraging Calibration Transfer Techniques for Remote Monitoring of Samarium and Europium in LiCl Using Laser-Induced Florescence Spectroscopy for Radioisotope Production Applications

Radioisotope production relies on complex chemical processes that must be performed in radiological hot cells or glove boxes because of the radioactive and otherwise hazardous materials being used. In these situations, optical sensors can provide real-time monitoring to users, which is unobtainable by more traditional methods. This study explores the use of calibration transfer methods to train a model on one instrument and date and then transfer it to another instrument of the same or different configuration on a different date. By performing laser-induced fluorescence measurements of Eu(III) and Sm(III) in 10 M LiCl over the course of 6 months using two disparate spectrometers and two different training sets, a strategy for calibrating and deploying models for online monitoring was established. Three transfer techniques were compared: direct standardization (DS), piecewise direct standardization (PDS), and external parameter orthogonalization (EPO). DS and PDS outperformed EPO for day-to-day transfers, and EPO was not effective for instrument-to-instrument transfers. Transferring the initial date’s full factorial model provided better prediction performance compared with retraining models the day of measurements using a D-optimal designed calibration set. For both day-to-day and instrument-to-instrument transfers, five Kennard–Stone selected samples were sufficient. Based on this choice, the initial-date, high-resolution spectrometer model was transferred to a lower-resolution, compact spectrometer 6 months later to monitor a simulated, real-time demonstration. Here, the combined predictions of the DS and PDS transferred models were able to accurately track the anticipated concentration profiles, maintaining root-mean-square error of prediction values below 10 ppm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Omics-Lethal Human Viruses, MERS-CoV Experiment MCL002

The purpose of this experiment was to evaluate the human host response to wild-type Middle Eastern Respiratory Syndrome coronavirus (icMERS) and icMERS-CoV mutants icMERS-RFP, icMERS-DNSP16, and icMERS-d4B virus infection. Sample data was obtained from human bronchial epithelial cells (Calu-3 clone 2B4) for proteome, metabolome, and lipidome expression analysis. Secondary host-associated viral dataset downloads contain one or more statistically processed (normalization data transformation) quantitative dataset collections resulting in qualitative expression analyses of primary host-pathogen experimental study designs. Leveraging unique high-resolution Omics capabilities for proteomics, metabolomics, and lipidomics dataset download each have a direct relationship to a primary sample submission corresponding to a specific MERS-CoV virus infection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Omics-Lethal Human Viruses, MERS-CoV Experiment MCL003

The purpose of this experiment was to evaluate the human host response to wild-type icMERS-CoV virus infection and mockulum. Sample data was obtained from human lung adenocarcinoma cells (Calu-3) for proteome, metabolome, and lipidome expression analysis. Resulting quantitative data profiles were evaluated for extreme outlier behavior using MPLEX protocol. Secondary host-associated viral dataset downloads contain one or more statistically processed (normalization data transformation) quantitative dataset collections resulting in qualitative expression analyses of primary host-pathogen experimental study designs. Leveraging unique high-resolution Omics capabilities for proteomics, metabolomics, and lipidomics dataset download each have a direct relationship to a primary sample submission corresponding to a specific MERS-CoV virus infection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Preserved and variable spatial‐chemical changes of lipids across tomato leaves in response to central vein wounding reveals potential origin of linolenic acid in signal transduction cascade

Abstract Membrane lipids serve as substrates for the generation of numerous signaling lipids when plants are exposed to environmental stresses, and jasmonic acid, an oxidized product of 18‐carbon unsaturated fatty acids (e.g., linolenic acid), has been recognized as the essential signal in wound‐induced gene expression. Yet, the contribution of individual membrane lipids in linolenic acid generation is ill‐defined. In this work, we performed spatial lipidomic experiments to track lipid changes that occur locally at the sight of leaf injury to better understand the potential origin of linolenic and linoleic acids from individual membrane lipids. The central veins of tomato leaflets were crushed using surgical forceps, leaves were cryosectioned and analyzed by two orthogonal matrix‐assisted laser desorption/ionization mass spectrometry imaging platforms for insight into lipid spatial distribution. Significant changes in lipid composition are only observed 30 min after wounding, while after 60 min lipidome homeostasis has been re‐established. Phosphatidylcholines exhibit a variable pattern of spatial behavior in individual plants. Among lysolipids, lysophosphatidylcholines strongly co‐localize with the injured zone of wounded leaflets, while, for example, lysophosphatidylglycerol (LPG) (16:1) accumulated preferentially toward the apex in the injured zone of wounded leaflets. In contrast, two other LPGs (LPG [18:3] and LPG [18:2]) are depleted in the injured zone. Our high‐resolution co‐localization imaging analyses suggest that linolenic acids are predominantly released from PCs with 16_18 fatty acid composition along the entire leaf, while it seems that in the apex zone PG (16:1_18:3) significantly contributes to the linolenic acid pool. These results also indicate distinct localization and/or substrate preferences of phospholipase isoforms in leaf tissue.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Continuum laser absorption spectroscopy of C 2 (a 3 Π u ) in a sublimating cloud of carbon black

A direct optical absorption diagnostic has been developed for rotationally resolved measurements of diatomic carbon (a 3 Π u →d 3 Π g (0,0) and (1,1)) at a repetition rate of 525 kHz and resolution of 7.3 pm over the range of 511.1–514.1 nm. The diagnostic utilizes a high-power pulsed continuum laser light source dispersed in a spectrograph and imaged by a high-speed camera. Measurements have been performed that capture the temporal evolution of C 2 number density and temperature of a cloud of carbon black sublimating in shock heated gas at high temperature and pressure (T = 5500 K, P = 3.7 atm). A simultaneous light absorption measurement of the condensed phase enables comparisons of the gaseous C 2 number density to the condensed phase mass. The continuum laser absorption diagnostic is applied to C 2 in this work but shows promise in being a simple “drop-in” system for absorption spectroscopy in the visible range at rapid repetition rates and high dispersion, filling an important gap for laser diagnostic systems.

Willhardt, Colton Dean [Univ. of Illinois at Urban↗
DOE OSTI2020

Atomic-Scale Structural Mapping of Active Sites in Monolayer PGM-Free Catalysts by Low-Voltage 4D-STEM

Two-dimensional (2D) materials have attracted a large amount of attention in both basic and applied fields, and scanning transmission electron microscopy (STEM) is often uniquely well-suited for characterizing the atomic-scale structure of these materials [1-4]. As a result, STEM is poised to significantly impact progress on platinum group metal (PGM)-free catalysts, which are currently under intense development to enable low-cost, commercially viable hydrogen fuel cells [5]. While recent advancements have resulted in fuel cell performance comparable to Pt catalysts by some measures [6], cell durability remains a significant challenge, limiting practical applications [7]. Catalytically active sites in PGM-free materials are proposed to be FeN4 complexes embedded in a graphene lattice (Fig. 1b) within layered or other larger materials, but this is still under debate largely due to the range of potential actives sites predicted by computational methods and lack of methods for directly validating these models [5]. Fundamental insights into the atomic structure and resulting degradation pathways of proposed active sites are therefore needed to fully understand and control cell performance and durability [6].2D materials typically make ideal samples for STEM, but those within PGM-free catalysts present additional challenges since these materials are often defect-rich, with a high density of edges, dopant atoms, etc., which significantly increase susceptibility to beam damage at standard operating voltages. This makes analysis of potential FeN4 active sites particularly challenging, since a large proportion of Fe exists at edge sites where beam-induced atomic displacements can prohibit high-resolution structural characterization [6]. Conventional dark-field imaging compounds this problem by producing less signal for a given dose and being less sensitive to light elements than dose-efficient phase contrast imaging techniques such as those enabled by four-dimensional (4D)-STEM [8-10] (Fig. 1a). Consequently, active site structural analysis is often left to methods such as low-resolution imaging combined with quantum chemical calculations [6], which hinders accurate determination of reaction and degradation mechanisms.Here, we demonstrate direct atomic-scale structural mapping of FeN4 sites by performing low-voltage 4D-STEM on a model PGM-free catalyst system with many exposed monolayer regions. To accomplish this, we pair a 30 keV aberration-corrected probe with a fast pixelated detector that has optimal performance at low beam voltages [11]. This enables us to simultaneously image light and heavy elements with high signal-to-noise by center-of-mass analysis (Fig. 1c) while minimizing beam-induced atomic displacements at sensitive sites. The monolayer nature of these materials additionally allows for experimental validation by direct comparison with multislice simulations [12] of model structures (Fig. 1d-e). This work demonstrates how low-voltage 4D-STEM will provide new insights into the atomic-scale structure and degradation mechanisms of active sites in PGM-free catalysts, facilitating the development of low-cost hydrogen fuel cells and other energy conversion technologies in the future [13].

Zachman, Michael↗
DOE OSTI2022

Soft-Shear-Aligned Vertically Oriented Lamellar Block Copolymers for Template-Free Sub-10 nm Patterning and Hybrid Nanostructures

The template-free unidirectional alignment of lamellar block copolymers (l-BCPs) for sub-10 nm high-resolution patterning and hybrid multicomponent nanostructures is important for technological applications. Here we demonstrate a modified soft-shear directed self-assembly (SDSA) approach for aligning pristine l-BCPs and l-BCPs with incorporated polymer grafted nanoparticles (PGNPs), as well as the l-BCPs conversion to aligned gold nanowires, and hybrid of metallic gold nanowire and dielectric silica nanoparticle in the form of line-dot nanostructures. The smallest patterns have a half-pitch as small as 9.8 nm. In all cases, soft-shear is achieved using a high molecular mass polymer topcoat layer, with support on a neutral bottom layer. We also show that the hybrid line-dot nanostructures have a red-shifted plasmonic response in comparison to the neat gold nanowires. These template-free aligned BCPs and nanowires have potential use in nanopatterning applications and the line-dot nanostructures should be useful in the plasmonic sensing of biomolecules and other molecular species based on the plasmonic response of the nanowires.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Optimal 1D Ly α forest power spectrum estimation – III. DESI early data

ABSTRACT The 1D power spectrum P1D of the Ly α forest provides important information about cosmological and astrophysical parameters, including constraints on warm dark matter models, the sum of the masses of the three neutrino species, and the thermal state of the intergalactic medium. We present the first measurement of P1D with the quadratic maximum likelihood estimator (QMLE) from the Dark Energy Spectroscopic Instrument (DESI) survey early data sample. This early sample of 54 600 quasars is already comparable in size to the largest previous studies, and we conduct a thorough investigation of numerous instrumental and analysis systematic errors to evaluate their impact on DESI data with QMLE. We demonstrate the excellent performance of the spectroscopic pipeline noise estimation and the impressive accuracy of the spectrograph resolution matrix with 2D image simulations of raw DESI images that we processed with the DESI spectroscopic pipeline. We also study metal line contamination and noise calibration systematics with quasar spectra on the red side of the Ly α emission line. In a companion paper, we present a similar analysis based on the Fast Fourier Transform estimate of the power spectrum. We conclude with a comparison of these two approaches and discuss the key sources of systematic error that we need to address with the upcoming DESI Year 1 analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The ones that got away: chemical tagging of globular cluster-origin stars with Gaia BP/RP spectra

ABSTRACT Globular clusters (GCs) are sites of extremely efficient star formation, and recent studies suggest they significantly contributed to the early Milky Way’s stellar mass build-up. Although their role has since diminished, GCs’ impact on the Galaxy’s initial evolution can be traced today by identifying their most chemically unique stars – those with anomalous nitrogen and aluminum overabundances and oxygen depletion. While they are a perfect tracer of clusters, be it intact or fully dissolved, these high-[N/O], high-[Al/Fe] GC-origin stars are extremely rare within the current Galaxy. To address the scarcity of these unusual, precious former GC members, we train a neural network (NN) to identify high-[N/O], high-[Al/Fe] stars using low-resolution Gaia Blue Photometer/Red Photometer spectra. Our NN achieves a classification accuracy of approximately $\approx 99~{{\ \rm per\ cent}}$ and a false positive rate of around $\approx 7~{{\ \rm per\ cent}}$, identifying 878 new candidates in the Galactic field. We validate our results with several physically motivated sanity checks, showing, for example, that the incidence of selected stars in Galactic GCs is significantly higher than in the field. Moreover, we find that most of our GC-origin candidates reside in the inner Galaxy, having likely formed in the proto-Milky Way, consistent with previous research. The fraction of GC candidates in the field drops at a metallicity of [Fe/H]$\approx -1$, approximately coinciding with the completion of spin-up, i.e. the formation of the Galactic stellar disc.

Kane, Sarah G. (ORCID:0000000184111012)↗
DOE OSTI2023

A Large Area Picosecond Photodetector for Neutron Transmission Measurements at DICER at LANSCE

The Device for Indirect Capture Experiments on Radionuclides (DICER) is a new instrument that is being developed at the Los Alamos Neutron Science Center (LANSCE) to study neutron capture reactions on short-lived radionuclides. To achieve that, DICER is using an indirect technique based on measuring the neutron transmission through very small samples (0.12–1.2 mm in diameter, $\mu \text{g}$ -mg in mass). The main detection system of DICER consists of two dual photomultiplier (PMT)-based detectors which are sensitive to the scintillation light produced when neutrons interact with 6 Li glass disks. DICER is developing a new collimation system that includes a 0.1-mm collimator. In such small sizes, the need for neutron beam imaging is crucial and necessary to confirm the appropriate alignment between the irradiated sample and the neutron detectors. The large area picosecond photodetector (LAPPD) is a multichannel plate (MCP)-based photodetector, with picosecond-level timing, single-photon detection capabilities, and spatial resolution of the order of 1 mm. Coupling the LAPPD with a 6 Li glass scintillator results in a neutron imaging detector. The first irradiation of the LAPPD at DICER indicated that apart from imaging the beam, the LAPPD can be used as the main neutron detection system. Furthermore, these results were proof of principle measurements demonstrating the capabilities of the beamline, and the challenge with small samples will be addressed in the future. The first efforts and developments, including irradiations of the LAPPD and the first beam images, will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Constraining the Nature of the PDS 70 Protoplanets with VLTI/GRAVITY

We present K-band interferometric observations of the PDS 70 protoplanets along with their host star using VLTI/GRAVITY. We obtained K-band spectra and 100 μas precision astrometry of both PDS 70 b and c in two epochs, as well as spatially resolving the hot inner disk around the star. Rejecting unstable orbits, we found a nonzero eccentricity for PDS 70 b of 0.17 ± 0.06, a near-circular orbit for PDS 70 c, and an orbital configuration that is consistent with the planets migrating into a 2:1 mean motion resonance. Enforcing dynamical stability, we obtained a 95% upper limit on the mass of PDS 70 b of 10 M {sub Jup}, while the mass of PDS 70 c was unconstrained. The GRAVITY K-band spectra rules out pure blackbody models for the photospheres of both planets. Instead, the models with the most support from the data are planetary atmospheres that are dusty, but the nature of the dust is unclear. Any circumplanetary dust around these planets is not well constrained by the planets’ 1–5 μm spectral energy distributions (SEDs) and requires longer wavelength data to probe with SED analysis. However with VLTI/GRAVITY, we made the first observations of a circumplanetary environment with sub-astronomical-unit spatial resolution, placing an upper limit of 0.3 au on the size of a bright disk around PDS 70 b.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Near-infrared chemical abundances of stars in the Sculptor dwarf galaxy

Owing to the recent identification of major substructures in our Milky Way (MW), the astronomical community has started to reevaluate the importance of dissolved and existing dwarf galaxies. In this work, we investigate up to 13 elements in 43 giant stars of the Sculptor dwarf galaxy (Scl) using high-signal-to-noise-ratio near-infrared (NIR) APOGEE spectra. Thanks to the strong feature lines in the NIR, we were able to determine high-resolution O, Si, and Al abundances for a large group of sample stars for the first time in Scl. By comparing the [α/Fe] (i.e., O, Mg, Si, Ca, and Ti) of the stars in Scl, Sagittarius, and the MW, we confirm the general trend that less massive galaxies tend to show lower [α/Fe]. The low [Al/Fe] (~ - 0.5) in Scl demonstrates the value of this ratio as a discriminator with which to identify stars born in dwarf galaxies (from MW field stars). A chemical-evolution model suggests that Scl has a top-light initial mass function (IMF), with a high-mass IMF power index of ~ - 2.7, and a minimum Type Ia supernovae delay time of ~100 Myr. Furthermore, a linear regression analysis indicates a negative radial metallicity gradient and positive radial gradients for [Mg/Fe] and [Ca/Fe], in qualitative agreement with the outside-in formation scenario.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Regioselectivity mechanism of the Thunbergia alata Δ 6 -16:0-acyl carrier protein desaturase

Plant plastidial acyl–acyl carrier protein (ACP) desaturases are a soluble class of diiron-containing enzymes that are distinct from the diiron-containing integral membrane desaturases found in plants and other organisms. The archetype of this class is the stearoyl-ACP desaturase which converts stearoyl-ACP into oleoyl (18:1Δ 9 cis )-ACP. Several variants expressing distinct regioselectivity have been described including a Δ 6 -16:0-ACP desaturase from black-eyed Susan vine ( Thunbergia alata ). We solved a crystal structure of the T. alata desaturase at 2.05 Å resolution. Using molecular dynamics (MD) simulations, we identified a low-energy complex between 16:0-ACP and the desaturase that would position C6 and C7 of the acyl chain adjacent to the diiron active site. The model complex was used to identify mutant variants that could convert the T. alata Δ 6 desaturase to Δ 9 regioselectivity. Additional modeling between ACP and the mutant variants confirmed the predicted regioselectivity. Furthermore, to validate the in-silico predictions, we synthesized two variants of the T. alata desaturase and analyzed their reaction products using gas chromatography-coupled mass spectrometry. Assay results confirmed that mutants designed to convert T. alata Δ 6 to Δ 9 selectivity exhibited the predicted changes. In complementary experiments, variants of the castor desaturase designed to convert Δ 9 to Δ 6 selectivity lost some of their Δ9 desaturation ability and gained the ability to desaturate at the Δ 6 position. The computational workflow for revealing the mechanistic understanding of regioselectivity presented herein lays a foundation for designing acyl-ACP desaturases with novel selectivities to increase the diversity of monoenes available for bioproduct applications.

59 BASIC BIOLOGICAL SCIENCES↗