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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Long-Term Stability of Nicotinamide Cofactors in Common Aqueous Buffers: Implications for Cell-Free Biocatalysis

The use of nicotinamide cofactors in cell-free biocatalytic systems is necessitated by the high specificity that these enzymes show for their natural redox mediators. Unfortunately, isolation and use of natural cofactors is costly, which suggests that enhancing their stability is key to enabling their use in industrial processes. This study details NAD+ and NADH stability in three buffer systems (sodium phosphate, HEPES, and Tris) at 19 °C and 25 °C and for up to 43 d. In Tris, both NADH and NAD+ were found to be highly stable. NADH degradation rates of 4 μM/d (19 °C) and 11 μM/d (25 °C) were observed in Tris buffer, corresponding to >90% and 75% remaining after 43 d, respectively. Higher degradation rates (up to 34 μM/d) were observed when sodium phosphate or HEPES buffers were used. The effect of a mild increase in temperature was determined to be significant for long-term stability, and it was shown that degradation under these conditions can be easily monitored via UV–Vis, because the degradation proceeds via the oxidation/de-aromatization of the dihydropyridine ring. Overall, this work emphasizes that the choice of buffer system is consequential for bioreactor systems employing natural nicotinamide cofactors for extended periods of time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Diversity in the Common Fold: Structural Insights into Class D β-Lactamases from Gram-Negative Pathogens

Class D β-lactamases (DBLs) represent a major threat to antibiotic efficacy by hydrolyzing β-lactam drugs, including last-resort carbapenems, thereby driving antimicrobial resistance in Gram-negative bacteria. The enzymes share a structurally conserved two-domain α/β architecture with seven active-site motifs and three flexible extended loops (the P-loop, Ω-loop, and newly designated B-loop) that surround the active site. While each of these loops is known to influence enzyme function, their coordinated roles have not been fully elucidated. To investigate the significance of their interplay, we compared the sequences and crystal structures of 40 DBLs from clinically relevant Gram-negative pathogens and performed molecular dynamics simulations on selected representatives. Combined structural and dynamical analyses revealed a strong correlation between B-loop architecture and carbapenemase activity in the pathogens Klebsiella and Acinetobacter, particularly regarding loop length and spatial organization. These findings emphasize the B-loop’s critical contribution, in concert with the P- and Ω-loops, in tuning active site versatility, substrate recognition, catalytic activity, and structural stability. A deeper understanding of how these motifs and loops govern DBL function may inform the development of novel antibiotics and inhibitors targeting this class of enzymes.

antibiotic resistance↗
DOE OSTI2024

Frank–Kasper Phases of Diblock Copolymer Melts: Self-Consistent Field Results of Two Commonly Used Models

We constructed phase diagrams of conformationally asymmetric diblock copolymer A-B melts using the polymer self-consistent field (SCF) calculations of both the dissipative particle dynamics chain (DPDC) model (i.e., compressible melts of discrete Gaussian chains with the DPD non-bonded potential) and the “standard” model (i.e., incompressible melts of continuous Gaussian chains with the Dirac δ-function non-bonded potential) in the χN-ε plane, where χN and ε characterize, respectively, the repulsion and conformational asymmetry between the A and B blocks, at the A-block volume fraction f = 0.2 and 0.3. Consistent with previous SCF calculations of the “standard” model, σ and A15 are the only stable Frank–Kasper (FK) phases among the five FK (i.e., σ, A15, C14, C15 and Z) phases considered. The stability of σ and A15 is due to their delicate balance between the energetic and entropic contributions to the Helmholtz free energy per chain of the system, which, within our parameter range, increases in the order of σ/A15, Z, and C14/C15. While in general the SCF phase diagrams of these two models are qualitatively consistent, A15 is not stable for the DPDC model at the copolymer chain length N = 10 and f = 0.3; any differences in the SCF phase diagrams are solely due to the differences between these two models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

EVIDENCE FOR A COMMON ACCELERATION MECHANISM FOR ENRICHMENTS OF {sup 3}He AND HEAVY IONS IN IMPULSIVE SEP EVENTS

We have surveyed the period 1997–2015 for a rare type of {sup 3}He-rich solar energetic particle (SEP) event, with enormously enhanced values of the S/O ratio, that differs from the majority of {sup 3}He-rich events, which show enhancements of heavy ions increasing smoothly with mass. Sixteen events were found, most of them small but with solar source characteristics similar to other {sup 3}He-rich SEP events. A single event on 2014 May 16 had higher intensities than the others, and curved Si and S spectra that crossed the O spectrum above ∼200 keV nucleon{sup −1}. Such crossings of heavy-ion spectra have never previously been reported. The dual enhancement of Si and S suggests that element Q / M ratio is critical to the enhancement since this pair of elements uniquely has very similar Q / M ratios over a wide range of temperatures. Besides {sup 3}He, Si, and S, in this same event the C, N, and Fe spectra also showed curved shape and enhanced abundances compared to O. The spectral similarities suggest that all have been produced from the same mechanism that enhances {sup 3}He. The enhancements are large only in the high-energy portion of the spectrum, and so affect only a small fraction of the ions. The observations suggest that the accelerated plasma was initially cool (∼0.4 MK) and was then heated to a few million kelvin to generate the preferred Q / M ratio in the range C–Fe. The temperature profile may be the distinct feature of these events that produces the unusual abundance signature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

MONTE CARLO POPULATION SYNTHESIS OF POST-COMMON-ENVELOPE WHITE DWARF BINARIES AND TYPE Ia SUPERNOVA RATE

Binary population synthesis (BPS) studies provide a comprehensive way to understand the evolution of binaries and their end products. Close white dwarf (WD) binaries have crucial characteristics for examining the influence of unresolved physical parameters on binary evolution. In this paper, we perform Monte Carlo BPS simulations, investigating the population of WD/main-sequence (WD/MS) binaries and double WD binaries using a publicly available binary star evolution code under 37 different assumptions for key physical processes and binary initial conditions. We considered different combinations of the binding energy parameter ( λ {sub g}: considering gravitational energy only; λ {sub b}: considering both gravitational energy and internal energy; and λ {sub e}: considering gravitational energy, internal energy, and entropy of the envelope, with values derived from the MESA code), CE efficiency, critical mass ratio, initial primary mass function, and metallicity. We find that a larger number of post-CE WD/MS binaries in tight orbits are formed when the binding energy parameters are set by λ {sub e} than in those cases where other prescriptions are adopted. We also determine the effects of the other input parameters on the orbital periods and mass distributions of post-CE WD/MS binaries. As they contain at least one CO WD, double WD systems that evolved from WD/MS binaries may explode as type Ia supernovae (SNe Ia) via merging. In this work, we also investigate the frequency of two WD mergers and compare it to the SNe Ia rate. The calculated Galactic SNe Ia rate with λ = λ {sub e} is comparable to the observed SNe Ia rate, ∼8.2 × 10{sup 5} yr{sup 1} – ∼4 × 10{sup 3} yr{sup 1} depending on the other BPS parameters, if a DD system does not require a mass ratio higher than ∼0.8 to become an SNe Ia. On the other hand, a violent merger scenario, which requires the combined mass of two CO WDs ≥ 1.6 M {sub ⊙} and a mass ratio >0.8, results in a much lower SNe Ia rate than is observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

THE BEAMING STRUCTURES OF JUPITER’S DECAMETRIC COMMON S-BURSTS OBSERVED FROM THE LWA1, NDA, AND URAN2 RADIO TELESCOPES

On 2015 February 21, simultaneous observations of Jupiter's decametric radio emission between 10 and 33 MHz were carried out using three powerful low-frequency radio telescopes: the Long Wavelength Array Station One in the USA, the Nançay Decameter Array in France, and the URAN2 telescope in Ukraine. We measured the lag times of short-bursts (S-bursts) for 105 minutes of data over effective baselines of up to 8460 km by using cross-correlation analysis of the spectrograms from each instrument. Of particular interest is the measurement of the beaming thickness of S-bursts, testing if either flashlight- or beacon-like beaming is emanating from Jupiter. We find that the lag times for all pairs drift slightly as time elapses, in agreement with expectations from the flashlight-like beaming model. This leads to a new constraint of the minimum beaming thickness of 2.″66. Also, we find that most of the analyzed data abound with S-bursts, whose occurrence probability peaks at 17–18 MHz.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Astronomy Commons Platform: A Deployable Cloud-based Analysis Platform for Astronomy

Abstract We present a scalable, cloud-based science platform solution designed to enable next-to-the-data analyses of terabyte-scale astronomical tabular data sets. The presented platform is built on Amazon Web Services (over Kubernetes and S3 abstraction layers), utilizes Apache Spark and the Astronomy eXtensions for Spark for parallel data analysis and manipulation, and provides the familiar JupyterHub web-accessible front end for user access. We outline the architecture of the analysis platform, provide implementation details and rationale for (and against) technology choices, verify scalability through strong and weak scaling tests, and demonstrate usability through an example science analysis of data from the Zwicky Transient Facility’s 1Bn+ light-curve catalog. Furthermore, we show how this system enables an end user to iteratively build analyses (in Python) that transparently scale processing with no need for end-user interaction. The system is designed to be deployable by astronomers with moderate cloud engineering knowledge, or (ideally) IT groups. Over the past 3 yr, it has been utilized to build science platforms for the DiRAC Institute, the ZTF partnership, the LSST Solar System Science Collaboration, and the LSST Interdisciplinary Network for Collaboration and Computing, as well as for numerous short-term events (with over 100 simultaneous users). In a live demo instance, the deployment scripts, source code, and cost calculators are accessible. 4 4 http://hub.astronomycommons.org/

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Stability of Cool Cores during Galaxy Cluster Growth: A Joint Chandra/SPT Analysis of 67 Galaxy Clusters along a Common Evolutionary Track Spanning 9 Gyr

We present the results of a joint analysis of Chandra X-ray and South Pole Telescope (SPT) Sunyaev–Zel’dovich (SZ) observations targeting the first sample of galaxy clusters at 0.3 < z < 1.3, selected to be the progenitors of well-studied nearby clusters based on their expected accretion rate. We develop a new procedure in order to tackle the analysis challenge that is estimating the intracluster medium (ICM) properties of low-mass and high-redshift clusters with ~150 X-ray counts. One of the dominant sources of uncertainty on the ICM density profile estimated with a standard X-ray analysis with such shallow X-ray data is due to the systematic uncertainty associated with the ICM temperature obtained through the analysis of the background-dominated X-ray spectrum. We show that we can decrease the uncertainty on the density profile by a factor varying between 2 and 8 with a joint deprojection of the X-ray surface brightness profile measured by Chandra and the SZ-integrated Compton parameter available in the SPT cluster catalog. We apply this technique to the whole sample of 67 clusters in order to track the evolution of the ICM core density during cluster growth. We confirm that the evolution of the gas density profile is well modeled by the combination of a fixed core and a self-similarly evolving non-cool-core profile. We show that the fraction of cool cores in this sample is remarkably stable with redshift although clusters have gained a factor of ~4 in total mass over the past ~9 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Merger Signatures are Common, but not Universal, in Massive, Recently Quenched Galaxies at z ~ 0.7

We present visual classifications of merger-induced tidal disturbances in 143 M* ~ 10 11 M ⊙ post-starburst galaxies at z ~ 0.7 identified in the $SQuIGG\vec{L}E$ Sample. This sample spectroscopically selects galaxies from the Sloan Digital Sky Survey that have stopped their primary epoch of star formation within the past ~500 Myr. Visual classifications are performed on Hyper Suprime-Cam imaging. We compare to a control sample of mass- and redshift-matched star-forming and quiescent galaxies from the Large Early Galaxy Census and find that post-starburst galaxies are more likely to be classified as disturbed than either category. This corresponds to a factor of $3.6$$^{+2.9}_{-1.3}$ times the disturbance rate of older quiescent galaxies and $2.1$$^{+1.9}_{-.73}$ times the disturbance rate of star-forming galaxies. Assuming tidal features persist for ≲500 Myr, this suggests merging is coincident with quenching in a significant fraction of these post-starbursts. Galaxies with tidal disturbances are younger on average than undisturbed post-starburst galaxies in our sample, suggesting tidal features from a major merger may have faded over time. This may be exacerbated by the fact that, on average, the undisturbed subset is fainter, rendering low-surface-brightness tidal features harder to identify. However, the presence of 10 young (≲150 Myr since quenching) undisturbed galaxies suggests that major mergers are not the only fast physical mechanism that shut down the primary epoch of star formation in massive galaxies at intermediate redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A Common Origin of Magnetism from Planets to White Dwarfs

Isolated magnetic white dwarfs have field strengths ranging from kilogauss to gigagauss. However, the origin of the magnetic field has not been hitherto elucidated. Whether these fields are fossil, hence the remnants of original weak magnetic fields amplified during the course of the evolution of their progenitor stars, or are the result of binary interactions, or, finally, they are produced by other internal physical mechanisms during the cooling of the white dwarf itself, remains a mystery. At sufficiently low temperatures, white dwarfs crystallize. Upon solidification, phase separation of its main constituents, {sup 12}C and {sup 16}O, and of the impurities left by previous evolution occurs. This process leads to the formation of a Rayleigh–Taylor unstable liquid mantle on top of a solid core. This convective region, as it occurs in solar system planets like the Earth and Jupiter, can produce a dynamo able to yield magnetic fields of strengths of up to 0.1 MG, thus providing a mechanism that could explain magnetism in single white dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Common practices for quantifying methane emissions from plumes detected by remote sensing

This document provides a set of community-accepted practices for quantifying methane emissions based on plumes detected via spectroscopic remote sensing. Its primary goal is to promote consistency in the generation, validation, reporting, and quality assessment of methane emission estimates derived from remote sensing radiances. Developed by subject matter experts with deep experience across all stages of the measurement process, this guidance reflects a critical evaluation of current methodologies and highlights key practices needed to produce reliable, interoperable, and traceable products. The focus is specifically on methane emissions quantified from distinct plumes originating from localized sources, rather than diffuse emissions spread over large regions, which are beyond the scope of this work. This document is intended to serve both data producers and users. For producers, it offers a framework for aligning with field-recognized standards to ensure their outputs meet rigorous quality and transparency criteria. For users, it provides a reference to assess dataset fitness-for-purpose by highlighting essential metadata, assumptions, and methodological choices that underpin emission estimates. By fostering a shared understanding of best practices, this work aims to enhance comparability, confidence, and utility of remotely sensed methane emission products.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

A widespread family of serine/threonine protein phosphatases shares a common regulatory switch with proteasomal proteases

PP2C phosphatases control biological processes including stress responses, development, and cell division in all kingdoms of life. Diverse regulatory domains adapt PP2C phosphatases to specific functions, but how these domains control phosphatase activity was unknown. We present structures representing active and inactive states of the PP2C phosphatase SpoIIE from Bacillus subtilis. Based on structural analyses and genetic and biochemical experiments, we identify an α-helical switch that shifts a carbonyl oxygen into the active site to coordinate a metal cofactor. Our analysis indicates that this switch is widely conserved among PP2C family members, serving as a platform to control phosphatase activity in response to diverse inputs. Remarkably, the switch is shared with proteasomal proteases, which we identify as evolutionary and structural relatives of PP2C phosphatases. Although these proteases use an unrelated catalytic mechanism, rotation of equivalent helices controls protease activity by movement of the equivalent carbonyl oxygen into the active site.

59 BASIC BIOLOGICAL SCIENCES↗