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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Re-Observing the First Hours of Supernova 1987A

This project was designed to use archival data from the International Ultraviolet Explorer (IUE) to measure the flux from the shock breakout from SN 1987A, emitted in the first few hours of the event, reflected from neighboring dust clouds in the form of a light echo. Such hot flux from the initial moments of a SN had never been observed before, and this offers a unique opportunity to measure it in reflection. Gilmozzi (1991, in "SN 1987A and Other Supernova") had reported such a detection of using IUE from observations made in 1988 and 1989. Our analysis of these data showed that this detection was very weak, and subject to changes comparable to the size of the signal according to various reasonable means of extracting the spectra. In fact, the features reported by Gilmozzi (1998 in "Ultraviolet Astrophysics Beyond IUE") are not found in a conventional NEWSIPS extraction or extended-source extraction of these data. The 1995 and 1996 IUE data collected for Crotts and Gilmozzi shows a more robust signal (about 20sigma,) from a cloud that echoes brighter in the optical than the 1988 feature. This shows a well-detected signal of about 5 x 10(exp -16) ergs per s/sq cm/Angstroms/arc sq sec at 1300 Angstroms, with a declining slope to redder wavelengths. This surface brightness, while detected with confidence in both large and small SVVT apertures, is still fainter than the reflected flux expected for most models of shock breakout. We have also taken the opportunity to recover the echo signal from exposures taken on Astro-1 and Astro-2 flights of the Ultraviolet Imaging Telescope (UIT) while pointed towards SN 1987A. These data yield a complementary result on the reflected flux, an upper limit of about 5 x 10(exp -17) ergs per s/sq cm/Angstroms/arc sq sec, spread over fainter optically echoing clouds, and over the same band where the signal was detected by IUE. While this appears in contradiction with the IUE result, it is made consistent by the corresponding strengths of the echoes in the optical.

Crotts, Arlin P. S.↗
NASA NTRS1986

Carbon-13 NMR studies of salt shock-induced carbohydrate turnover in the marine cyanobacterium Agmenellum quadruplicatum

Carbon turnover in response to abrupt changes in salinity, including the mobilization of glycogen for use in osmoregulation was studied with pulse-chase strategies utilizing nuclear magnetic resonance (NMR)-silent and NMR-detectable 12C and 13C isotopes, respectively. Growth of Agmenellum quadruplicatum in 30%-enriched 13C bicarbonate provided sufficient NMR-detectability of intracellular organic osmoregulants for these studies. A comparison of NMR spectra of intact cells and their ethanol extracts showed that the intact cell data were suitable for quantitative work, and, when combined with ESR measurements of cell volumes, yielded intracellular glucosylglycerol concentrations without disrupting the cells. NMR pulse-chase experiments were used to show that 13C-enriched glycogen, which had previously been accumulated by the cells under nitrogen-limited growth at low salinities, could be utilized for the synthesis of glucosylglycerol when the cells were abruptly transferred to hypersaline media, but only in the light. It was also shown that the accumulation of glucosylglycerol in the light occurred on a time scale similar to that of cell doubling. Depletion of glucosylglycerol when cells abruptly transferred to lower salinities appeared to be rapid--the intracellular pool of this osmoregulant was decreased 2-fold within 2 hours of hypotonic shock.

NASA Discipline Life Support Systems↗
DOE OSTI2023

Search for leptonic charge asymmetry in $t\overline{t}W$ production in final states with three leptons at $\sqrt{s}$ = 13 TeV

A search for the leptonic charge asymmetry (${A}_{c}^{\ell}$) of top-quark-antiquark pair production in association with a $W$ boson ($t\overline{t}W$) is presented. The search is performed using final states with exactly three charged light leptons (electrons or muons) and is based on $\sqrt{s}$= 13 TeV proton-proton collision data collected with the ATLAS detector at the Large Hadron Collider at CERN during the years 2015–2018, corresponding to an integrated luminosity of 139 fb –1 . A profile-likelihood fit to the event yields in multiple regions corresponding to positive and negative differences between the pseudorapidities of the charged leptons from top-quark and top-antiquark decays is used to extract the charge asymmetry. At reconstruction level, the asymmetry is found to be –0.12 ± 0.14 (stat.) ± 0.05 (syst.). An unfolding procedure is applied to convert the result at reconstruction level into a charge-asymmetry value in a fiducial volume at particle level with the result of –0.11 ± 0.17 (stat.) ± 0.05 (syst.). The Standard Model expectations for these two observables are calculated using Monte Carlo simulations with next-to-leading-order plus parton shower precision in quantum chromodynamics and including next-to-leading-order electroweak corrections. They are ${–0.084}_{–0.003}^{+0.005}$ (scale) ± 0.006 (MC stat.) and ${–0.063}_{–0.004}^{+0.007}$ (scale) ± 0.004 (MC stat.) respectively, and in agreement with the measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Assessments of advanced reactor heat supply to high temperature industrial unit operations: Heat Engines and Heat Pumps

In this report, the feasibility of employing Advanced Nuclear Reactors to supply the necessary high-quality heat to Industrial Processes is investigated. As a first step, the most relevant industrial applications that could benefit from this coupling were identified. Four industries including petroleum refining (distillation, catalyst regeneration, hydro-steam cracking), chemical polymers, steel manufacturing (metals annealing/soaking) and cement manufacturing (calcination of limestone and dolomite industries) were considered. An overview of the heat duties, i.e., the temperatures and thermal powers required by representative plants of the different processes, was provided. Secondly, the thermodynamic conditions of the steam produced by representative designs of Advanced Reactor concepts (Liquid Metal Fast Breeder Reactors, Molten Salt Reactors, and High Temperature Gas-cooled Reactors) were summarized. The comparison between the requirements of the industrial processes and the capabilities of the candidate nuclear power plants showed that only a few processes could benefit from the coupling. Although Advanced Reactors operate at higher temperatures than Light Water Reactors, the thermodynamic conditions of the generated steam flow rates are generally not suitable for the selected applications. At the same time, data indicate that most of the processes can be suitably supplied if the temperature of steam is elevated to 900 °C. One possible solution to boost the quality of the steam from the nuclear island involves the use of a heat pump. Based on a technology similar to that found in refrigerators and air conditioners, heat pumps extract heat from a source, elevate its temperature and transfer it to where it is needed. A simple numerical example illustrating the viability of this method is described. Specifically, the energy conversion cycle of a conventional Pressurized Water Reactor was extended to incorporate a compressor to raise the heating value of the steam produced by the reactor. Two reference configurations, i.e., one where the industrial process coupled to the nuclear power plant exhausts saturated liquid and the other where it exhausts saturated steam, were considered. The thermal efficiencies achievable by increasing the heating value of the reactor steam in this way are significantly greater than by direct electric heating.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1991

Far-ultraviolet mapping of the Cygnus Loop with the Voyager 2 Ultraviolet Spectrometer

FUV maps of the Cygnus Loop made using spectroscopic data from the Voyager 2 Ultraviolet Spectrometer are presented. Emission line features at about 980 and about 1035 A dominate the 500-1700 A spectra of the Cygnus Loop as observed with Voyager. Maps were generated in the light of these two features. The 980 and 1035 A maps are compared with X-ray and optical images of the Cygnus Loop that have been sampled in the same manner. From this comparison it is clear that the 980 A feature arises mainly from regions of bright optical emission, whereas the 1035 A emission more closely resembles the X-ray emission. This general impression can be confirmed by inspection of the spectra as a function of position. Spectra extracted from positions corresponding to the primary shock front show the 1035 A feature to be relatively strong, while the 980 A feature is brighter when substantial optical emission is present within the aperture.

Blair, William P.↗
NASA NTRS2007

ISRU at a Lunar Outpost: Implementation and Opportunities for Partnerships and Commercial Development

The NASA Lunar Architecture Team (LAT), which was commissioned to help answer the question "how" will humans return to the Moon, and the Synthesis Team and the recently released Global Exploration Strategy, which was commissioned to help answer the question "why" will humans return to the Moon and go on to Mars have identified the ability to extract and use in-situ resources as important to extending human frontiers, reduce dependence on Earth, and further economic and commercial expansion into space. The extraction and processing of space resources into useful products, known as In-Situ Resource Utilization (ISRU), can have a substantial impact on mission and architecture concepts. In particular, the ability to make propellants, life support consumables, and fuel cell reagents can significantly reduce the cost, mass, and risk of sustained human activities beyond Earth. Potential lunar resources include solar wind implanted volatiles, vast quantities of metal and mineral oxides, possible water/ice at the poles, abundant solar energy, regions of permanent light and darkness, the vacuum of space itself, and even scavenging leftover descent propellants and/or trash and waste from human crew activities. Suitable processing can transform these raw resources into useful materials and products. The establishment of a human lunar Outpost, as proposed by NASA at the 2nd Space Exploration Conference in Houston in December 2006, opens up the possibility for the first time of breaking our reliance on Earth supplied consumables and learn to "live off the land". The ISRU phasing and capability incorporation strategy developed during LAT Phase I & II is based on the premise that while ISRU is a critical capability and key to successful implementation of the US Vision for Space Exploration, it is also an unproven capability for human lunar exploration and can not be put in the critical path of architecture success until it has been proven. Therefore, ISRU needs to take incremental steps toward the desired end state. However, at the same time, the lunar architecture needs to be open enough to take advantage of ISRU when proven available.

Sanders, Gerald B.↗
NASA NTRS2014

Field Results from Three Campaigns to Validate the Performance of the Miniaturized Laser Heterodyne Radiometer (Mini‐LHR) for Measuring Carbon Dioxide and Methane in the Atmospheric Column

In a collaboration between NASA GSFC and GWU, a low-cost, surface instrument is being developed that can continuously monitor key carbon cycle gases in the atmospheric column: carbon dioxide (CO2) and methane (CH4). The instrument is based on a miniaturized, laser heterodyne radiometer (LHR) using near infrared (NIR) telecom lasers. Despite relatively weak absorption line strengths in this spectral region, spectrallyresolved atmospheric column absorptions for these two molecules fall in the range of 60-80% and thus sensitive and precise measurements of column concentrations are possible. In the last year, the instrument was deployed for field measurements at Park Falls, Wisconsin; Castle Airport near Atwater, California; and at the NOAA Mauna Loa Observatory in Hawaii. For each subsequent campaign, improvement in the figures of merit for the instrument has been observed. In the latest work the absorbance noise is approaching 0.002 optical density (OD) noise on a 1.8 OD signal. An overview of the measurement campaigns and the data retrieval algorithm for the calculation of column concentrations will be presented. For light transmission through the atmosphere, it is necessary to account for variation of pressure, temperature, composition, and refractive index through the atmosphere that are all functions of latitude, longitude, time of day, altitude, etc. For temperature, pressure, and humidity profiles with altitude we use the Modern-Era Retrospective Analysis for Research and Applications (MERRA) data. Spectral simulation is accomplished by integrating short-path segments along the trajectory using the SpecSyn spectral simulation suite developed at GW. Column concentrations are extracted by minimizing residuals between observed and modeled spectrum using the Nelder-Mead simplex algorithm. We will also present an assessment of uncertainty in the reported concentrations from assumptions made in the meteorological data, LHR instrument and tracker noise, and radio frequency bandwidth and describe additional future goals in instrument development and deployment target

meteorological data↗
DOE OSTI2023

Novel Approaches and Technologies for Aging Management

As part of the application process for license renewal and subsequent license renewal, nuclear utilities must perform an evaluation to confirm that they have appropriately considered aging effects on plant structures, systems, components within the scope of the license renewal. This effort within the Light Water Reactor Sustainability program’s Risk-informed System Analysis pathway is focused on risk-informed and performance-based approaches for aging management of buried piping, specifically managing selective leaching degradation phenomena. Selective leaching is a commonly occurring aging and degradation mechanism in buried pipes at nuclear power plants. To better understand the extent of selective leaching and its effect on the health of buried components, the licensees currently rely on visual inspections and destructive examinations which require extraction of multiple buried components. This research explores technological solutions that may replace or supplement existing inefficient, costly, and labor-intensive methods used in aging management.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2013

Basin Excavation, Lower Crust, Composition, and Bulk Moon Mass balance in Light of a Thin Crust

New lunar gravity results from GRAIL have been interpreted to reflect an overall thin and low-density lunar crust. Accordingly, crustal thickness has been modeled as ranging from 0 to 60 km, with thinnest crust at the locations of Crisium and Moscoviense basins and thickest crust in the central farside highlands. The thin crust has cosmochemical significance, namely in terms of implications for the Moon s bulk composition, especially refractory lithophile elements that are strongly concentrated in the crust. Wieczorek et al. concluded that the bulk Moon need not be enriched compared to Earth in refractory lithophile elements such as Al. Less Al in the crust means less Al has been extracted from the mantle, permitting relatively low bulk lunar mantle Al contents and low pre- and post-crust-extraction values for the mantle (or the upper mantle if only the upper mantle underwent LMO melting). Simple mass-balance calculations using the method of [4] suggests that the same conclusion might hold for Th and the entire suite of refractory lithophile elements that are incompatible in olivine and pyroxene, including the KREEP elements, that are likewise concentrated in the crust.

Jolliff, B. L.↗
DOE OSTI2023

Multiple-core-hole resonance spectroscopy with ultraintense X-ray pulses

Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is crucial for gaining insights into the structure and dynamics of matter. One key aspect of nonlinear light–matter interaction was, so far, not studied systematically at free-electron lasers—its dependence on the photon energy. Here, we use resonant ion spectroscopy to map out the transient electronic structures occurring during the complex charge-up pathways of xenon. Massively hollow atoms featuring up to six simultaneous core holes determine the spectra at specific photon energies and charge states. We also illustrate how different X-ray pulse parameters, which are usually intertwined, can be partially disentangled. The extraction of resonance spectra is facilitated by the possibility of working with a constant number of photons per X-ray pulse at all photon energies and the fact that the ion yields become independent of the peak fluence beyond a saturation point. Our study lays the groundwork for spectroscopic investigations of transient atomic species in exotic, multiple-core-hole states that have not been explored previously.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1993

SALI chemical analysis of provided samples

SRI has completed the chemical analysis of all the samples supplied by NASA. The final batch of four samples consisted of: one inch diameter MgF2 mirror, control 1200-ID-FL3; one inch diameter neat resin, PMR-15, AO171-IV-55, half exposed and half unexposed; one inch diameter chromic acid anodized, EOIM-3 120-47 aluminum disc; and AO-exposed and unexposed samples of fullerene extract material in powdered form, pressed into In foil for analysis. Chemical analyses of the surfaces were performed by the surface analysis by laser ionization (SALI) method. The analyses emphasize surface contamination or general organic composition. SALI uses nonselective photoionization of sputtered or desorbed atoms and molecules above but close (approximately one mm) to the surface, followed by time-of-flight (TOF) mass spectrometry. In these studies, we used laser-induced desorption by 5-ns pulse-width 355-nm light (10-100 mJ/sq cm) and single-photon ionization (SPI) by coherent 118-nm radiation (at approximately 5 x 10(exp 5) W/sq cm). SPI was chosen primarily for its ability to obtain molecular information, whereas multiphoton ionization (not used in the present studies) is intended primarily for elemental and small molecule information. In addition to these four samples, the Au mirror (EOIM-3 200-11, sample four) was depth profiled again. Argon ion sputtering was used together with photoionization with intense 355-nm radiation (35-ps pulsewidths). Depth profiles are similar to those reported earlier, showing reproducibility. No chromium was found in the sample above noise level; its presence could at most be at the trace level. Somewhat more Ni appears to be present in the Au layer in the unexposed side, indicating thermal diffusion without chemical enhancement. The result of the presence of oxygen is apparently to tie-up/draw out the Ni as an oxide at the surface. The exposed region has a brownish tint appearance to the naked eye.

Becker, Christopher H.↗
NASA NTRS2017

3-D-Observation of Matrix of MIL 090657 Meteorite by Absorption-Phase Tomography

MIL 090657 meteorite (CR2.7) is one of the least altered primitive carbonaceous c hondrites [1]. This meteorite has amorphous silicates like GEMS (glass with embedded metal and sulfide), which are characteristically contained in cometary dust, in matrix [2,3] as with the Paris meteorite [4]. Three lithologies have been recognized; lithology-1 (L 1) dominated by submicron anhydrous silicates, lithology-2 (L2) by GEMS-like amorphous silicates and lithology-3 (L3) by phyllosilicates [2]. Organic materials are abundant in L 1 and L2 [2,3]. L 1 and L2 were further divided into sub-lithology respectively based on their textures and compositions [5]. These studies were performed by 2D SEM and TEM observations of sample surfaces and thin sections that are unable to reveal what constitute each lithology and how these lithologies are distributed and related to each other. This information will provide important insights into alteration and aggregation processes on asteroids and in the early solar nebula. In this study, MIL 090657 matrix was examined in 3D using two types of X-ray tomography; DET (dual-energy tomography) [6] and SIXM (scanning-imaging X-ray microscopy) [7]. Mineral phases can be discriminated based on absorption contrasts at two different X-ray energies in DET. In SIXM, materials composed of light elements such as water or organic materials can be identified based on phase and absorption contrasts. By combining these methods, we can discriminate not only organic materials from voids but also hydrous alteration products, such as hydrated silicates and carbonates, from anhydrous minerals [8]. In this study, we first observed cross sections of MIL 090657 matrix fragments C1 00 mm) in detail using FE-SEM/ EDS. Based on the results, three house-shaped samples (3 0 -50 mm) were extracted from L 1, L2 and their boundary (H1, H3 and H5, respectively) using FIB. 3D imaging of these samples were conducted at BL47XU of SPring-8, a synchrotron radiation facility, with -30-40 nm/ voxel and - 70-80 nm/ voxel at 7keV and 8keV in DET and -100 nm/ voxel at 8keV in SIXM. We found new lithologies that we named L4, L5 and L6 in H1 and H3 in addition to L 1 and L2. L4. L5 and L6 are mainly composed of probably phyllosilicates with different Fe contents. Sulfide and framboidal magnetite were recognized in L4. L5 includes magnetite and carbonate and L6 includes anhydrous silicates having cracks inside. L 1, L2, L4 and L5 are porous while few voids were observed in L6. L4 adjoins to L 1 with boundary, which is not very distinct. L2, L5 and L6 adjoin to each other, and the boundaries of L6 with L2 and L5 are clear. In H5, coarse mineral grains C5-1 0 mm) such as Fe-metal and enstatite are present in L 1 and L2. L 1-L2 boundary is not sharp in 3 D. In conclusion, we found a variety of lithologies by 3D observation for the first time, suggesting that t he MIL 0 90657 meteorite experienced complex alteration and aggregation histories. As L2 is dominated by amorphous silicates, which are extremely susceptible to aqueous alteration, t his is p resumed to be t he most primitive lithology. The contact between L2 and phyllosilicate-bearing lithologies (L5 and L6) with clear boundaries indicates that they were aggregated after aqueous alteration of L5 and L6. The indistinct boundary between L 1 and L2 is suggesting that these two lithologies might originally be the same aggregate composed of amorphous silicates and coarse mineral grains. L 1 might have experienced weak aqueous alteration followed by mild thermal alteration [2], while L2 did not undergo aqueous alteration.

Miyama, Sugimoto↗
DOE OSTI2021

Simulation of Isotopic Concentrations and Gamma Spectra from Dynamic Fission Sources

A tool was developed to rapidly generate synthetic gamma-ray spectra to evaluate safeguards material control and accounting methods for liquid-fueled molten salt reactors. Molten salt reactor operations pose unique challenges to nuclear safeguards methods and protocols compared to deployed reactors designs (e.g., light water reactors). This research evaluates the use of gamma-ray spectroscopy to monitor fission product isotopic flow through a reactor model to understand expected operations and investigate changes to the spectra with material diversion scenarios. The large design space of molten salt reactors (e.g., liquid-fueled, liquid-cooled, online separations) could potentially lead to many measurement points within the reactor system. The developed analytical tool generates and evaluates synthetic gamma-ray spectra from dynamic reactor simulations by extracting isotopic inventory to generate source terms. An implementation in the Gamma Detector Response and Analysis Software (GADRAS) Application Program Interface (API) uses the source terms, a model of the reactor component, a detector response function, and measurement plan to quickly generate and analyze spectra. Prospective measurements are then evaluated in the more accurate but slower Geant4 simulations. Utilization of the developed modeling tool and analysis of the subsequent spectra enables optimization of collimation, shielding requirements, and expected count rates that are used to determine key measurement points in the modeled reactor design.

O'Brien, Sean↗
DOE OSTI2025

Directing Polymorphism of Colloid Crystals Using Conformational Entropy of Polymer Chains

Controlling the polytypes of close-packed structures of spherical colloids is still a challenging problem despite their wide occurrence. Here, in this work, we show that systematic engineering of the polytype structures of close-packed colloids is possible by using the conformational entropy of polymer chains confined in the interstitial space of colloid crystals. Our interstitial space analysis shows that the hexagonal close-packed (HCP) structures offer larger local interstitial space domains, and the structure director chains in favor of HCP counteract the entropic advantages of the face-centered cubic (FCC) lattices. Using model block copolymer colloids and the known lattice entropy of FCC, a proportionality parameter, β CP = 1.91 × 10 –3 ± 3.67 × 10 –4 , for quantifying the conformational entropy contribution toward HCP structures is extracted. This work demonstrates that the interstitial space of colloid crystals serves as a new structure engineering tool for the self-assembly of colloids.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Fluorescence Signatures of Rare Earth Metals during Precipitation in Various Conditions

Fluorescence spectroscopy is a widely used sensor methodology that analyzes light emitted from a compound or element as it decays from an excited state. This technique is very sensitive and selective, which is ideal to characterize analytes at lower limits of detection. Key example targets of significant industry and research interest include rare earth elements (REEs) such as dysprosium (Dy) and europium (Eu). These are widely used in advanced technologies including semiconductors, electric vehicle motors, lasers, and permanent magnets. Identifying new sources and responsible reutilization of REEs is essential, and new approaches to extract and recycle REEs could be notably enhanced through the integration of on-line sensors. The sensors can support faster process design, informed scale-up, and cost-effective deployment. This study covers the initial exploration of applying fluorescence-based on-line monitoring to REEs within a precipitation process. This study demonstrates the successful scale-up of a fluorescence -based sensing approach, from stationary cuvettes and small-volume microfluidic devices to continuous flow systems operating at the bench scale (10-25mL). This work also provides initial insight into the challenges of signal’s effects and utility within a turbid environment. Using a modular design for monitoring flowing solutions in a flow tube, fluorescence can be characterized for a variety of analytical targets. In this study, detection performance parameters between the cuvette and flow tube system were compared. Additionally, the response of Dy during precipitation by sodium bicarbonate in the two measurement designs was explored. This letter represents a starting point to bridge the gap between traditional fluorescence sensor measurements in a cuvette to future developments that explore the ability to integrate fluorescence sensors into extraction and separation processes at industrially relevant scales.

fluorescence↗
DOE OSTI2021

Characterizing the plasma-induced thermal loads on a 200 kW light-ion helicon plasma source via infra-red thermography

The light-ion helicon plasma source of the Proto-MPEX linear plasma device has been recently upgraded to enable pulsed (0.5–1 s) operation up to 200 kW. The main objective of this work is to report on the plasma-induced surface heat fluxes incident on the helicon window during high power operation (60–150 kW net power) for the purpose of the design of the upcoming material plasma exposure eXperiment (MPEX). The IR imaging system and associated physics models for the extraction of surface heat fluxes are presented. Furthermore, experimental results demonstrate that the control of the plasma strike point via magnetic flux mapping and the use of dedicated limiters is effective at reducing the heat loads on the dielectric window. Moreover, it is found that the flux mapping must create a gap between the plasma and the dielectric window of at least the plasma radial decay length. Extrapolated to 200 kW net RF power, this mode of operation can reduce the power lost to the dielectric window by 33%. The results presented have direct application to the design of high-powered helicon plasma sources that operate in a steady state. Examples include linear divertor simulators such as MPEX, electric thrusters, negative ion sources for NBI and linear plasma–material interaction test stands.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Application of sulfur SAD to small crystals with a large asymmetric unit and anomalous substructure

The application of sulfur single-wavelength anomalous dispersion (S-SAD) to determine the crystal structures of macromolecules can be challenging if the asymmetric unit is large, the crystals are small, the size of the anomalously scattering sulfur structure is large and the resolution at which the anomalous signals can be accurately measured is modest. Here, as a study of such a case, approaches to the SAD phasing of orthorhombic Ric-8A crystals are described. The structure of Ric-8A was published with only a brief description of the phasing process [Zeng et al. (2019), Structure , 27 , 1137–1141]. Here, alternative approaches to determining the 40-atom sulfur substructure of the 103 kDa Ric-8A dimer that composes the asymmetric unit are explored. At the data-collection wavelength of 1.77 Å measured at the Frontier micro-focusing Macromolecular Crystallography (FMX) beamline at National Synchrotron Light Source II, the sulfur anomalous signal strength, |Δ ano |/σΔ ano ( d ′′/sig), approaches 1.4 at 3.4 Å resolution. The highly redundant, 11 000 000-reflection data set measured from 18 crystals was segmented into isomorphous clusters using BLEND in the CCP 4 program suite. Data sets within clusters or sets of clusters were scaled and merged using AIMLESS from CCP 4 or, alternatively, the phenix.scale_and_merge tool from the Phenix suite. The latter proved to be the more effective in extracting anomalous signals. The HySS tool in Phenix , SHELXC / D and PRASA as implemented in the CRANK 2 program suite were each employed to determine the sulfur substructure. All of these approaches were effective, although HySS , as a component of the phenix.autosol tool, required data from all crystals to find the positions of the sulfur atoms. Critical contributors in this case study to successful phase determination by SAD included (i) the high-flux FMX beamline, featuring helical-mode data collection and a helium-filled beam path, (ii) as recognized by many authors, a very highly redundant, multiple-crystal data set and (iii) the inclusion within that data set of data from crystals that were scanned over large ω ranges, yielding highly isomorphous and highly redundant intensity measurements.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Metagenome-assembled genomes provide insight into the metabolic potential during early production of Hydraulic Fracturing Test Site 2 in the Delaware Basin

Demand for natural gas continues to climb in the United States, having reached a record monthly high of 104.9 billion cubic feet per day (Bcf/d) in November 2023. Hydraulic fracturing, a technique used to extract natural gas and oil from deep underground reservoirs, involves injecting large volumes of fluid, proppant, and chemical additives into shale units. This is followed by a “shut-in” period, during which the fracture fluid remains pressurized in the well for several weeks. The microbial processes that occur within the reservoir during this shut-in period are not well understood; yet, these reactions may significantly impact the structural integrity and overall recovery of oil and gas from the well. To shed light on this critical phase, we conducted an analysis of both pre-shut-in material alongside production fluid collected throughout the initial production phase at the Hydraulic Fracturing Test Site 2 (HFTS 2) located in the prolific Wolfcamp formation within the Permian Delaware Basin of west Texas, USA. Specifically, we aimed to assess the microbial ecology and functional potential of the microbial community during this crucial time frame. Prior analysis of 16S rRNA sequencing data through the first 35 days of production revealed a strong selection for a Clostridia species corresponding to a significant decrease in microbial diversity. Here, we performed a metagenomic analysis of produced water sampled on Day 33 of production. This analysis yielded three high-quality metagenome-assembled genomes (MAGs), one of which was a Clostridia draft genome closely related to the recently classified Petromonas tenebris. This draft genome likely represents the dominant Clostridia species observed in our 16S rRNA profile. Annotation of the MAGs revealed the presence of genes involved in critical metabolic processes, including thiosulfate reduction, mixed acid fermentation, and biofilm formation. These findings suggest that this microbial community has the potential to contribute to well souring, biocorrosion, and biofouling within the reservoir. Our research provides unique insights into the early stages of production in one of the most prolific unconventional plays in the United States, with important implications for well management and energy recovery.

natural gas↗