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At least 163 records · Page 9

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DOE OSTI2023

Development of LpxH Inhibitors Chelating the Active Site Dimanganese Metal Cluster of LpxH

Abstract Despite the widespread emergence of multidrug‐resistant nosocomial Gram‐negative bacterial infections and the major public health threat it brings, no new class of antibiotics for Gram‐negative pathogens has been approved over the past five decades. Therefore, there is an urgent medical need for developing effective novel antibiotics against multidrug‐resistant Gram‐negative pathogens by targeting previously unexploited pathways in these bacteria. To fulfill this crucial need, we have been investigating a series of sulfonyl piperazine compounds targeting LpxH, a dimanganese‐containing UDP‐2,3‐diacylglucosamine hydrolase in the lipid A biosynthetic pathway, as novel antibiotics against clinically important Gram‐negative pathogens. Inspired by a detailed structural analysis of our previous LpxH inhibitors in complex with K. pneumoniae LpxH ( Kp LpxH), here we report the development and structural validation of the first‐in‐class sulfonyl piperazine LpxH inhibitors, JH‐LPH‐45 ( 8 ) and JH‐LPH‐50 ( 13 ), that achieve chelation of the active site dimanganese cluster of Kp LpxH. The chelation of the dimanganese cluster significantly improves the potency of JH‐LPH‐45 ( 8 ) and JH‐LPH‐50 ( 13 ). We expect that further optimization of these proof‐of‐concept dimanganese‐chelating LpxH inhibitors will ultimately lead to the development of more potent LpxH inhibitors for targeting multidrug‐resistant Gram‐negative pathogens.

Pharmacology & Pharmacy↗

DOE OSTI2022

High-yield and high-angular-fluence neutron generation from deuterons accelerated by laser-driven collisionless shock

Since a bright collimated neutron source is an essential tool for global security missions and fundamental scientific research. In this paper, we study a compact high-yield and high-angular-fluence neutron source particularly suitable for high-energy neutron applications utilizing the breakup reaction of laser-driven deuterons in a 9 Be converter. The neutron generation scaling from such a reaction is used to guide the choice and optimization of the acceleration process for bulk ions in a low density CD 2 foam. In particular, the collisionless shock acceleration mechanism is exploited with proper choice in the laser and target parameter space to accelerate these ions toward energies above the temperature of the distribution. Particle-in-cell and Monte Carlo simulations are coupled here to investigate this concept and possible adverse effects as well as the contribution from the surface ions accelerated and the optimal converter design. The simulation results indicated that our design can be a practical approach to increase both the neutron yield and angular fluence of laser-driven neutron sources, reaching >10 11 neutron/pulse (or >10 8 neutron/J) and >10 11 neutron/sr (or >10 8 neutron/sr/J) with present-day kJ-class high-power lasers. Such developments will advance fundamental neutron science, high precision radiography, and other global security applications with laser-driven sources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1981

NASA/BLM APT, phase 2. Volume 2: Technology demonstration

Techniques described include: (1) steps in the preprocessing of LANDSAT data; (2) the training of a classifier; (3) maximum likelihood classification and precision; (4) geometric correction; (5) class description; (6) digitizing; (7) digital terrain data; (8) an overview of sample design; (9) allocation and selection of primary sample units; (10) interpretation of secondary sample units; (11) data collection ground plots; (12) data reductions; (13) analysis for productivity estimation and map verification; (14) cost analysis; and (150) LANDSAT digital products. The evaluation of the pre-inventory planning for P.J. is included.

Source record↗

NASA NTRS1982

The intercrater plains of Mercury and the Moon: Their nature, origin and role in terrestrial planet evolution. Chronology of surface history of Mercury

Phases in the history of the planet Mercury include: (1) condensation and accretion; (2) heating; (3) planetary expansion during heavy bombardment; (4) tidal spin-down and lineament formation; (5) P5 plains emplacement; (6) P4 plains emplacement; (7) peak planetary volume in P3 period; (8) scarp formation; (9) Caloris Basin formation, late class 3; (10) scarp formation and P2 plains formation; (11) smooth plains formation in and around large basins; (12) late or local tectonic stress; and (13) quiescent class 1 period. Although the cooling and contraction of the lithosphere are complete, the core remains molten as an active dynamo, producing the magnetic fields detected by Mariner 10. Plains produced since core formation (P3 to P-1) should record its magnetic activity. Cratering during the Class 2 and Class 1 periods is probably not enough to distribute ballistic materials and homogenize any color differences.

Leake, M. A.↗

NASA NTRS1994

Flat microwave spectra seen at X-class flares

We report peculiar spectral activity of four large microwave bursts as obtained from the Solar Arrays at the Owens Valey Radio Observatory during observations of X-class flares on 24 May 1990 and 7, 8, 22 March 1991. Main observational points that we newly uncovered are: (1) flat flux spectra over 1-18 GHz in large amounts of flux ranging from 10(exp 2) to 10(exp 4) s.f.u. at the maximum phase, (2) a common evolutionary pattern in which the spectral region of dominant flux shifts from high frequencies at the initial rise to low frequencies at the decaying phase, and (3) unusual time profiles that are impulsive at high frequencies but more extended at lower frequencies. We carry out the model calculations of microwave spectra under assumptions of gyrosynchrotron mechanism and a dipole field configuration to reproduce the observational characteristics. Our results are summarized as follows. First, a flat microwave spectrum reaching up to 10(exp 2) - 10(exp 4) s.f.u. may occur in a case where a magnetic loop is extended to an angular size of approximately (0.7-7.0) x 10(exp -7) sterad and contains a huge number (N(E greater than 10 keV) approx. 10(exp 36) - 10(exp 38)) of nonthermal electrons with power-law index approx. 3-3.5 over the entire volume. Second, the observed spectral activity could adequately be accounted for by the shrinking of the region of nonthermal electrons to the loop top and by the softening of the power-law spectrum of electrons in a time scale ranging 3-45 min depending on the event. Third, the extended microwave activity at lower frequencies is probably due to electrons trapped in the loop top where magnetic fields are low. Finally, we clarify the physical distinction between these large, extended microwave bursts and the gradual/post-microwave bursts often seen in weak events, both of which are characterized by long-period activity and broadband spectra.

Lee, Jeongwoo W.↗

NASA NTRS2013

Thermal Design and Analysis of the Supersonic Flight Dynamics Test Vehicle for the Low Density Supersonic Decelerator Project

The thermal design and analysis of the experimental Supersonic Flight Dynamics Test (SFDT) vehicle is presented. The SFDT vehicle is currently being designed as a platform to help demonstrate key technologies for NASA's Low Density Supersonic Decelerator (LDSD) project. The LDSD project is charged by NASA's Office of the Chief Technologist (OCT) with the task of advancing the state of the art in Mars Entry, Descent, and Landing (EDL) systems by developing and testing three new technologies required for landing heavier payloads on Mars. The enabling technologies under development consist of a large 33.5 meter diameter Supersonic Ringsail (SSRS) parachute and two different types of Supersonic Inflatable Aerodynamic Decelerator (SIAD) devices - a robotic class, SIAD-R, that inflates to a 6 meter diameter torus, and an exploration class, SIAD-E, that inflates to an 8 meter diameter isotensoid. As part of the technology development effort, the various elements of the new supersonic decelerator system must be tested in a Mars-like environment. This is currently planned to be accomplished by sending a series of SFDT vehicles into Earth's stratosphere. Each SFDT vehicle will be lifted to a stable float altitude by a large helium carrier balloon. Once at altitude, the SFDT vehicles will be released from their carrier balloon and spun up via spin motors to provide trajectory stability. An onboard third stage solid rocket motor will propel each test vehicle to supersonic flight in the upper atmosphere. After main engine burnout, each vehicle will be despun and testing of the deceleration system will begin: first an inflatable decelerator will be deployed around the aeroshell to increase the drag surface area, and then the large parachute will be deployed to continue the deceleration and return the vehicle back to the Earth's surface. The SFDT vehicle thermal system must passively protect the vehicle structure and its components from cold temperatures experienced during the ascent phase of the mission as well as from the extreme heat fluxes produced during the supersonic test phase by the main motor plume and aeroheating. The passive thermal design approach for the SFDT vehicle relies upon careful and complex bounding analysis of all three modes of heat transfer - conduction, convection, and radiation - coupled with a tightly managed transient power dissipation timeline for onboard electronics components throughout all mission phases.

thermal desktop↗

NASA NTRS1992

Hypersonic vehicle control law development using H infinity and mu-synthesis

Applicability and effectiveness of robust control techniques to a single-stage-to-orbit (SSTO) airbreathing hypersonic vehicle on an ascent accelerating path and their effectiveness are explored in this paper. An SSTO control system design problem, requiring high accuracy tracking of velocity and altitude commands while limiting angle of attack oscillations, minimizing control power usage and stabilizing the vehicle all in the presence of atmospheric turbulence and uncertainty in the system, was formulated to compare results of the control designs using H infinity and mu-synthesis procedures. The math model, an integrated flight/propulsion dynamic model of a conical accelerator class vehicle, was linearized as the vehicle accelerated through Mach 8. Controller analysis was conducted using the singular value technique and the mu-analysis approach. Analysis results were obtained in both the frequency and the time domains. The results clearly demonstrate the inherent advantages of the structured singular value framework for this class of problems. Since payload performance margins are so critical for the SSTO mission, it is crucial that adequate stability margins be provided without sacrificing any payload mass.

Gregory, Irene M.↗

NASA NTRS1992

Hypersonic vehicle control law development using H infinity and mu-synthesis

Applicability and effectivness of robust control techniques to a single-stage-to-orbit (SSTO) airbreathing hypersonic vehicle on an ascent accelerating path and their effectivness are explored in this paper. An SSTO control system design problem, requiring high accuracy tracking of velocity and altitude commands while limiting an angle of attack oscillations, minimizing control power usage and stabilizing the vehicle all in the presence of atmospheric turbulence and uncertainty in the system, was formulated to compare results of the control designs using H infinity and mu-synthesis procedures. The math model, an integrated flight/propulsion dynamic model of a conical accelerator class vehicle, was linearized as the vehicle accelerated through Mach 8. Controller analysis was conducted using the singular value technique and the mu-analysis approach. Analysis results were obtained in both the frequency and the time domains. The results clearly demonstrate the inherent advantages of the structured singular value framework for this class of problems. Since payload performance margins are so critical for the SSTO mission, it is crucial that adequate stability margins be provided without sacrificing any payload mass.

Gregory, Irene M.↗

DOE OSTI2023

Atmospheric Pressure Plasma Treatment of Magnesium Alloy for Enhanced Coating Adhesion and Corrosion Resistance

Atmospheric pressure plasma (AP) treatment, using an open-air jet of ionized CO 2 , N 2 , or air, was applied to AZ91D Mg alloy surfaces to investigate its effects on primer coating adhesion and corrosion resistance. The CO 2 and air AP treatments formed an O- and C-rich surface layer (Mg-O-C) consisting of agglomerated nanoparticles and pits with a depth of a few microns and increasing the surface roughness by 6–8 times compared with the reference 600 grit-finished surface. Then, three commercial primers, zinc phosphate (ZnP), chromate-containing epoxy, and MIL23377, were applied on the treated surfaces to evaluate the corrosion resistance associated with the coating adhesion. Microscopic analysis demonstrated stronger interlocking between the primer layer and the nano-/microrough Mg-O-C surface compared to the untreated (600 grit-finished) surfaces, indicating improved coating adhesion and corrosion resistance. Crosscut tests of the MIL23377 primer on the CO 2 and air AP-treated surfaces showed the highest level of adhesion, ASTM class 5B. Salt spray corrosion tests showed that after 8 days of exposure, the primer coatings on air AP-treated surfaces had corrosion areas that were more than four times smaller than that of the 600 grit-finished surface. The N 2 AP treatment showed similar adhesion enhancement. The preliminary operation expenses for AP treatment using CO 2 , N 2 , and air were estimated at USD 30.62, USD 35.45, and USD 29.75 (from an air cylinder)/USD 0.66 (from an air compressor) per m 2 , respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins

A challenge for design of protein–small-molecule recognition is that incorporation of cavities with size, shape, and composition suitable for specific recognition can considerably destabilize protein monomers. This challenge can be overcome through binding pockets formed at homo-oligomeric interfaces between folded monomers. Interfaces surrounding the central homo-oligomer symmetry axes necessarily have the same symmetry and so may not be well suited to binding asymmetric molecules. To enable general recognition of arbitrary asymmetric substrates and small molecules, we developed an approach to designing asymmetric interfaces at off-axis sites on homo-oligomers, analogous to those found in native homo-oligomeric proteins such as glutamine synthetase. We symmetrically dock curved helical repeat proteins such that they form pockets at the asymmetric interface of the oligomer with sizes ranging from several angstroms, appropriate for binding a single ion, to up to more than 20 Å across. Of the 133 proteins tested, 84 had soluble expression in E. coli, 47 had correct oligomeric states in solution, 35 had small-angle X-ray scattering (SAXS) data largely consistent with design models, and 8 had negative-stain electron microscopy (nsEM) 2D class averages showing the structures coming together as designed. Both an X-ray crystal structure and a cryogenic electron microscopy (cryoEM) structure are close to the computational design models. The nature of these proteins as homo-oligomers allows them to be readily built into higher-order structures such as nanocages, and the asymmetric pockets of these structures open rich possibilities for small-molecule binder design free from the constraints associated with monomer destabilization.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Performance of Subyearling Fall Chinook Salmon Tagged with 8-, 9-, and 12-mm Passive Integrated Transponder Tags in the Snake River

Abstract Inferences based on tagged individuals from a population are limited in part by the minimum size of fish that can be tagged. Smaller tags allow a greater proportion of a population to be represented by tagging and should reduce potential tag effects on fish performance. We evaluated different performance metrics of juvenile fall Chinook Salmon Oncorhynchus tshawytscha tagged with 8-, 9-, and 12-mm PIT tags in the Snake River. We did not find evidence that posttagging mortality of 45–49-mm-FL fish tagged with 8-mm tags was higher than the posttagging mortality of larger fish tagged with 9- and 12-mm tags. The incisions of fish tagged with 8-mm tags using 14-guage needles healed faster than those of fish tagged with larger tags using 12-guage needles. For individuals that received 8-mm tags, growth in length and mass was higher for 45–49-mm fish than for 50–59-mm fish and 60-mm and larger fish. Growth of the larger size-classes (50–59 and ≥60 mm) was also generally higher for those tagged with 8-mm tags compared to those tagged with 9- and 12-mm tags, respectively. There were no strong relationships between tag burden (i.e., tag weight expressed as a percentage of fish weight) at the time of tagging and growth metrics for any tag size or fish size-class. Releases made to compare the detection efficiency of the three tag types in the juvenile fish bypass at Lower Granite Dam, Washington, showed that 99–100% of all fish were detected. Survival of fish from rearing areas to Lower Granite Dam generally increased with fish size and varied by year, but there was no strong evidence of a tag size effect. The 8-mm PIT tag allowed us to represent a larger portion (i.e., 6.2–24.1%) of the subyearling fall Chinook Salmon population in the Snake River without compromising fish performance or detectability at the dam.

Tiffan, Kenneth F.↗

NASA NTRS1984

Prescription of land-surface boundary conditions in GISS GCM 2: A simple method based on high-resolution vegetation data bases

A simple method was developed for improved prescription of seasonal surface characteristics and parameterization of land-surface processes in climate models. This method, developed for the Goddard Institute for Space Studies General Circulation Model II (GISS GCM II), maintains the spatial variability of fine-resolution land-cover data while restricting to 8 the number of vegetation types handled in the model. This was achieved by: redefining the large number of vegetation classes in the 1 deg x 1 deg resolution Matthews (1983) vegetation data base as percentages of 8 simple types; deriving roughness length, field capacity, masking depth and seasonal, spectral reflectivity for the 8 types; and aggregating these surface features from the 1 deg x 1 deg resolution to coarser model resolutions, e.g., 8 deg latitude x 10 deg longitude or 4 deg latitude x 5 deg longitude.

Matthews, E.↗

NASA NTRS1994

The magnetic fields, ages, and original spin periods of millisecond pulsars

Accurate determination of the spin-down rates of millisecond pulsars requires consideration of the apparent acceleration of the pulsars due to their high transverse velocities. We show that for several nearby pulsars the neglect of this effect leads to substantial errors in inferred pulsar ages and magnetic fields. Two important ramifications follow. (1) The intrinsic magnetic field strengths of all millisecond pulsars lie below 5 x 10(exp 8) G, strengthening an earlier suggestion of a 'gap' between the magnetic field strengths of millisecond pulsars and of high-mass binary pulsars such as PSR B1913+16, which are thought to have been formed by mass transfer in low-mass and high-mass X-ray binaries, respectively. This result suggests that the magnetic field strengths of recycled pulsars are related to their formation and evolution in binary systems. (2) The corrected characteristic ages of several millisecond pulsars appear to be greater than the age of the Galactic disk. We reconcile this apparent paradox by suggesting that some millisecond pulsars were born with periods close to their current periods. This conclusion has important implications for the interpretation of the cooling ages of white dwarf companions, the birthrate discrepancy between millisecond pulsars and their X-ray binary progenitors, and the possible existence of a class of weakly magnetized (B much less than 10(exp 8)G), rapidly rotating neutron stars.

Camilo, F.↗

DOE OSTI2025

Ligand-Driven Electrochemical Tuning of Co 6 Se 8 Chevrel Clusters

Molecular “Chevrel-type” clusters of the formula Co 6 Se 8 L 6 (L = neutral ligand) are a well-studied class of clusters due to their utility as molecular analogues to the Chevrel extended solid phase and their application as subunits in hierarchical materials. However, their solution and optical properties remain relatively underexplored. Aiming to develop the fundamental relationships between the molecular and electronic structures of these clusters and their electrochemical and photophysical properties, this work reports the preparation of a series of Co 6 Se 8 (P(C 6 H 4 R) 3 ) 6 -type clusters with R = Cl (1), F (2), H (3), CH 3 (4), and OCH 3 (5) via a stepwise synthetic approach. Solution and solid-state experimental characterization and density functional theory calculations reveal that the Co 6 Se 8 cores of 1–5 maintain consistent electronic and structural properties despite the variation of the triarylphosphine ligand para-substituent Hammett parameters (σ p ). However, cyclic voltammetry measurements indicate that the electron transfer energetics of 1–5 are strongly influenced by ligand substitution, with the E 1/2 of a given redox event spanning ∼0.5 V depending on the triarylphosphine ligand’s σ p . In conclusion, these findings support the characterization of Co 6 Se 8 clusters as atomically precise nanoclusters with both the structural robustness and the electrochemical tunability needed to act as components in larger charge transfer assemblies.

Wheaton, Amelia M. [Argonne National Laboratory (A↗

NASA NTRS1994

Classification of asteroid spectra using a neural network

The 52-color asteroid survey (Bell et al., 1988) together with the 8-color asteroid survey (Zellner et al., 1985) provide a data set of asteroid spectra spanning 0.3-2.5 micrometers. An artificial neural network clusters these asteroid spectra based on their similarity to each other. We have also trained the neural network with a categorization learning output layer in a supervised mode to associate the established clusters with taxonomic classes. Results of our classification agree with Tholen's classification based on the 8-color data alone. When extending the spectral range using the 52-color survey data, we find that some modification of the Tholen classes is indicated to produce a cleaner, self-consistent set of taxonomic classes. After supervised training using our modified classes, the network correctly classifies both the training examples, and additional spectra into the correct class with an average of 90% accuracy. Our classification supports the separation of the K class from the S class, as suggested by Bell et al. (1987), based on the near-infrared spectrum. We define two end-member subclasses which seem to have compositional significance within the S class: the So class, which is olivine-rich and red, and the Sp class, which is pyroxene-rich and less red. The remaining S-class asteroids have intermediate compositions of both olivine and pyroxene and moderately red continua. The network clustering suggests some additional structure within the E-, M-, and P-class asteroids, even in the absence of albedo information, which is the only discriminant between these in the Tholen classification. New relationships are seen between the C class and related G, B, and F classes. However, in both cases, the number of spectra is too small to interpret or determine the significance of these separations.

Howell, E. S.↗

NASA NTRS2008

An 8 Meter Monolithic UV/Optical Space Telescope

The planned Ares V launch vehicle with its 10 meter fairing and at least 55,600 kg capacity to Earth Sun L2 enables entirely new classes of space telescopes. A consortium from NASA, Space Telescope Science Institute, and aerospace industry are studying an 8-meter monolithic primary mirror UV/optical/NIR space telescope to enable new astrophysical research that is not feasible with existing or near-term missions, either space or ground. This paper briefly reviews the science case for such a mission and presents the results of an on-going technical feasibility study, including: optical design; structural design/analysis including primary mirror support structure, sun shade and secondary mirror support structure; thermal analysis; launch vehicle performance and trajectory; spacecraft including structure, propulsion, GN&C, avionics, power systems and reaction wheels; operations & servicing; mass budget and cost.

Stahl, H. Philip↗

DOE OSTI2022

Prompt D 0 , D + , and D* + production in Pb–Pb collisions at $ \sqrt{s_{\mathrm{NN}}} $ = 5.02 TeV

The production of prompt D 0 , D + , and D* + mesons was measured at midrapidity (|y| < 0.5) in Pb–Pb collisions at the centre-of-mass energy per nucleon–nucleon pair $\sqrt{s_{NN}}$ = 5.02 TeV with the ALICE detector at the LHC. The D mesons were reconstructed via their hadronic decay channels and their production yields were measured in central (0–10%) and semicentral (30–50%) collisions. The measurement was performed up to a transverse momentum (p T ) of 36 or 50 GeV/c depending on the D meson species and the centrality interval. For the first time in Pb–Pb collisions at the LHC, the yield of D 0 mesons was measured down to p T = 0, which allowed a model-independent determination of the p T -integrated yield per unit of rapidity (dN/dy). A maximum suppression by a factor 5 and 2.5 was observed with the nuclear modification factor (R AA ) of prompt D mesons at p T = 6–8 GeV/c for the 0–10% and 30–50% centrality classes, respectively. The D-meson RAA is compared with that of charged pions, charged hadrons, and J/ψ mesons as well as with theoretical predictions. The analysis of the agreement between the measured R AA , elliptic (v 2 ) and triangular (v 3 ) flow, and the model predictions allowed us to constrain the charm spatial diffusion coefficient D s . Furthermore the comparison of R AA and v 2 with different implementations of the same models provides an important insight into the role of radiative energy loss as well as charm quark recombination in the hadronisation mechanisms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Deep Spectroscopy with DESI for Photometric Redshift Training and Calibration

Deep spectroscopic samples can improve photometric redshift (photo-z) estimates and reduce uncertainties on redshift distributions. Such improvements can increase the cosmological constraining power of large imaging-based experiments such as the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST) and mitigate what may be a limiting systematic effect. We present results from the “DESI-Deep pilot” program, which was designed to assess the capability of the Dark Energy Spectroscopic Instrument (DESI) on the 4m Mayall telescope to measure redshifts of galaxies as faint as expected lensing samples for early LSST data (m i ≤ 24.5). We find that DESI is remarkably efficient at this task, with redshift success rates comparable to the results of observations from 10 m class telescopes with only ∼2 × longer integration time (rather than ∼8 × longer as would be expected from aperture-area scaling), while simultaneously achieving ∼30 times larger multiplexing. We also find that the signal-to-noise ratio of the spectra scales as expected for background-limited observations even for the longest exposure times (∼7 hr) and faintest targets in the program. These results demonstrate that DESI could provide the definitive redshift sample for the early years of LSST with a modest investment of observing time. Based upon the results of this program, we provide updated predictions for the time required to collect benchmark samples for photo-z training and calibration using a variety of spectroscopic facilities. Finally, we describe a potential “DESI-Deep” survey designed to train and calibrate photo-z’s for imaging experiments, and provide forecasts of its impact on cosmological inference.

Dey, Biprateep [University of Toronto; University ↗