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DOE OSTI2022

Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN

High-fidelity replication of the large RNA genome of coronaviruses (CoVs) is mediated by a 3'-to-5' exoribonuclease (ExoN) in nonstructural protein 14 (nsp14), which excises nucleotides including antiviral drugs misincorporated by the low-fidelity viral RNA-dependent RNA polymerase (RdRp) and has also been implicated in viral RNA recombination and resistance to innate immunity. Here, we determined a 1.6-Å resolution crystal structure of severe acute respiratory syndrome CoV 2 (SARS-CoV-2) ExoN in complex with its essential cofactor, nsp10. The structure shows a highly basic and concave surface flanking the active site, comprising several Lys residues of nsp14 and the N-terminal amino group of nsp10. Modeling suggests that this basic patch binds to the template strand of double-stranded RNA substrates to position the 3' end of the nascent strand in the ExoN active site, which is corroborated by mutational and computational analyses. We also show that the ExoN activity can rescue a stalled RNA primer poisoned with sofosbuvir and allow RdRp to continue its extension in the presence of the chain-terminating drug, biochemically recapitulating proofreading in SARS-CoV-2 replication. Molecular dynamics simulations further show remarkable flexibility of multidomain nsp14 and suggest that nsp10 stabilizes ExoN for substrate RNA binding to support its exonuclease activity. Our high-resolution structure of the SARS-CoV-2 ExoN–nsp10 complex serves as a platform for future development of anticoronaviral drugs or strategies to attenuate the viral virulence.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1998

Polar Plasma Wave Observations in the Auroral Region and Polar Cap

Auroral kilometric radiation (AKR), sometimes associated with auroral myriametric radiation (AMR), has been observed by the plasma wave instrument on board Polar on almost every northern hemisphere pass. High spectral resolution plots of the AKR obtained by the wide-band receiver of the plasma wave instrument on board the spacecraft often show discrete, negative-slope striations each extending over a period of several seconds. A preliminary survey of over 4000 spectrograms (each for 48 seconds of data) indicates that the striations are seen in the northern hemisphere near apogee about 5% of the time. The frequency range is 40 kHz less than f less than 100 kHz, but a few observations of signatures have been made at higher frequency (f less than 225 khz. The frequency drift rates R, are similar ranging from -9.0 kHz/sec less than R less than -1.0 kHz/sec. No data is currently available for perigee (southern hemisphere) passes. The paucity of positive-slope features may be due to the location of the satellite at altitudes well above the AKR source region. Past studies have suggested these features are due to AKR wave growth stimulated by the propagation of electromagnetic ion cyclotron waves travelling up (-R) or down (+R) the field line, through the source region. High-resolution waveform data from both Polar and FAST show the presence of solitary waves in the auroral region which may also be a source of these striations. AMR is seen as diffuse emission associated with, but at lower frequency than the lower AKR. Direction finding of these emissions is not conclusive, but for one case, they have a source region distinct from the magnetic field line containing the AKR source, but possibly associated with the auroral cavity density gradient.

Menietti, J. D.↗

DOE OSTI2026

Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds

Hydrogen bonds (H-bonds) are central to biomolecular structure and dynamics. Although H-bonds are typically characterized by well-defined proton positions, proton delocalization has been proposed to play a role in facilitating enzyme catalysis and allostery in some systems. Experimentally locating protons is difficult, hampering the study of proton mobility in H-bonds. We used neutron crystallography, atomic resolution X-ray bond length analysis, and large quantum mechanics/molecular mechanics-Born–Oppenheimer molecular dynamics (QM/MM-BOMD) simulations to comprehensively characterize the shared proton/deuteron in a Glu–Asp low-barrier hydrogen bond (LBHB) in the bacterial protein YajL that is a conventional H-bond in the homologous disease-associated human protein DJ-1. X-ray bond length analysis of protiated and perdeuterated DJ-1 and YajL shows no significant effect of deuteron substitution on these carboxylic acid-carboxylate H-bonds but does reveal an effect at the active site glutamic acid near a cysteine thiolate. Residues in an H-bonded network that might favor LBHB formation in YajL were interrogated by the mutation of homologous residues in DJ-1. A distal DJ-1 substitution increases proton delocalization in the Glu–Asp H-bond, demonstrating that mutations within extended H-bond networks can modulate proton transfer barriers in carboxylic acid-carboxylate H-bonds. In addition, proton mobility in the H-bond is correlated with dimer-spanning motions in the QM/MM-BOMD simulations of YajL and DJ-1. Our results show that proton delocalization can be tuned using combined bioinformatic, structural, and computational information, opening the possibility of using engineered proton delocalization as a probe of H-bonding environments and as a tool to test hypotheses about LBHB function.

Lin, Jiusheng [University of Nebraska, Lincoln, NE↗

NASA NTRS1977

The solar boron abundance

Positive evidence for the presence of boron in the sun is reported, and the chemical abundance of boron in the photosphere is derived from photoelectric measurements of the solar spectrum near 2500 A obtained with a rocketborne high-resolution spectrometer. Short sections of the spectrum in the vicinities of the B I lines at 2496.772 and 2497.723 A are plotted. The photospheric boron abundance is determined primarily by analyzing the solar-center spectrum near the first of the two lines in the framework of several single-component photospheric models. The logarithmic boron abundance obtained is 2.6, with an estimated uncertainty of plus or minus 0.3 dex, on the scale where that of hydrogen is 12.0. This value is shown to be in excellent agreement with that predicted for a nucleosynthesis model in which Li, Be, and B are produced by cosmic-ray spallation.

Kohl, J. L.↗

NASA NTRS1981

A case study of height and temperature analyses derived from Nimbus-6 satellite soundings

Height and temperature analyses were constructed on a subset of the LFM grid using only Nimbus-6 satellite temperature profiles from approximately 1800 GMT 22 Feb. 1976. Several experiments were performed to evaluate various features of these satellite derived analyses. Fields derived from the bracketing LFM analyses provide the verification data. The results indicate that Nimbus-6 soundings were able to correctly position the major troughs and ridges, but underestimate gradients in the analyses due primarily to the soundings being too warm in the troughs. No advantage could be found in using a set of satellite soundings with a greater horizontal resolution than the DST soundings.

Koehler, T. L.↗

NASA NTRS1982

Active wavefront correction in large telescopes

Astronomical progress with the MMT telescope, which attains high-resolution imaging by partial compensation for atmospheric distortion, is discussed. The small tertiary and beam combiner mirrors at the MMT bring six images to a common focus, where there is a TV system for acquisition and guiding. Individual image positions can be controlled by stepper motors driving actuators on the secondaries, each step moving an image 0.05 arc seconds in the focal plane. The instrument's correction for image jiggle due to atmospheric turbulence and drift of the relative positions of the images due to gravitational and thermal effects on the structure are described. A scheme for correcting residual structural errors is discussed. It appears that the telescope can work to about the 17th visual magnitude. For faint sky limited objects comparable performance would require a perfectly rigid single mirror of the same aperture to have 50 percent more collecting area and cost at least 1.5 times more.

Angel, J. R. P.↗

NASA NTRS1986

Velocity-resolved observations of water in Comet Halley

High resolution (lambda/delta lambda approx. = 3 x 10 to the 5th power) near-infrared observations of H2O emission from Comet Halley were acquired at the time of maximum post-perihelion geocentric Doppler shift. The observed widths and absolute positions of the H2O line profiles reveal characteristics of the molecular velocity field in the coma. These results support H2O outflow from a Sun-lit hemisphere or the entire nucleus, but not from a single, narrow jet emanating from the nucleus. The measured pre- and post-perihelion outflow velocities were 0.9 + or - 0.2 and 1.4 + or - 0.2 km/s, respectively. Temporal variations in the kinematic properties of the outflow were inferred from changes in the spectral line shapes. These results are consistent with the release of H2O into the coma from multiple jets.

Larson, Harold P.↗

NASA NTRS1986

Velocity-resolved observations of water in Comet Halley

An infrared spectrum of comet Halley was recorded at the Kuiper Airborne Observatory with an instrumental velocity resolution of 1.1 km/sec. A total of 13 emission lines in the 2.65 micron spectral region were assigned to neutral gaseous H2O : 10 in the 001 to 000 band and 3 in the hot 011 to 010 band. The position and widths of these lines are functions of the gas velocity field in the coma. Analysis indicates that the neutral gas outflow is widely dispersed about the nucleus. This spectroscopic picture is consistent with spacecraft images that show multiple jets releasing material into most of the sunfacing hemisphere.

Larson, Harold P.↗

NASA NTRS1986

A fluorescent gated proportional counter for X-ray astronomy

The development of a position-sensitive proportional counter having a large drift volume is reported. It incorporates a fluorescent gating technique which results in a large improvement in background rejection over conventional proportional counters, and in addition offers the benefit of enhanced energy resolution (predicted to be about 3 percent at 40 keV) above the K shell of Xe.

Ramsey, B. D.↗

NASA NTRS1992

Improved accuracy in ground-based facilities - Development of an automated film-reading system for ballistic ranges

Software for an automated film-reading system that uses personal computers and digitized shadowgraphs is described. The software identifies pixels associated with fiducial-line and model images, and least-squares procedures are used to calculate the positions and orientations of the images. Automated position and orientation readings for sphere and cone models are compared to those obtained using a manual film reader. When facility calibration errors are removed from these readings, the accuracy of the automated readings is better than the pixel resolution, and it is equal to, or better than, the manual readings. The effects of film-reading and facility-calibration errors on calculated aerodynamic coefficients is discussed.

Yates, Leslie A.↗

NASA NTRS1993

Galileo EM-2 contributions to the lunar control network

A local control network is being developed using Galileo images that cover the region north of the Apollo area and lie between 10 and 100 degrees east longitude. This network is tied to the Apollo control network and will have a positional accuracy of approximately 500-1500 m. This region has been photographed by Earth-based telescopes and the Mariner 10 and Lunar Orbiter spacecraft, but the Gallileo images are preferred for control because of their superior viewing angles, resolution, and Galileo's geometrically stable sensor. Based on Davies et al., 1987, the potential accuracy of the near-side Apollo network is estimated to be between 50 and 300 m. The laser ranging retroreflector locations at the Apollo 11, 14, and 15 sites and the Lunikhod 2 site have been determined with an accuracy of about 10 m. The locations of the ALSEP transmitters relative to the retroreflectors have also been measured. These known coordinates are used to estimate errors in the Apollo network. The telescopic control is approximately bounded by 75 degrees north and south latitude and 75 degrees east and west longitudes. The accuracy of the telescopic network is thought to be about one to two km. Thus, the Galileo network might improve coordinates in the telescopic area as well as north and east of it.

Davies, M. E.↗

NASA NTRS1992

Development of an automated film-reading system for ballistic ranges

Yates, Leslie A.↗

NASA NTRS1994

IUE spectra and optical imaging of the oxygen-rich supernova remnant N132D

We present new optical Charge Coupled Devices (CCD) interference filter imagery and International Ultraviolet Explorer (IUE) spectroscopy for the oxygen-rich supernova remnant N132D in the Large Magellanic Cloud. The optical images show a wealth of structure, and comparison with an archival Einstein High Resolution Imager (HRI) X-ray image shows that a few optical features have X-ray counter-parts, but in general there is little correlation between X-ray and optical features. The IUE spectra at two positions show strong lines of carbon and oxygen, with lines of neon, magnesium, silicon, and helium also present and variable in relative intensities. We use optical data for N132D from Dopita & Tuohy (1984) with our UV observations to compare with shock models (both with and without thermal conduction) and X-ray photoionization model calculations. While none of the model fits is entirely satisfactory, the generally weak UV emission relative to optical disagrees with the general character of shock model predictions and indicates that photoionization is the dominant excitation mechanism for the UV/optical emission. This conclusion is similar to what was found for E0102 - 7219, the oxygen-rich remnant in the Small Magellanic Cloud. We derive rough abundances for the emitting material in N132D, compare to stellar nucleosynthesis models, and discuss the implications for its precursor. A precursor near 20 solar mass is consistent with the data.

Blair, William P.↗

NASA NTRS2002

Science Goal Driven Observing: A Step Towards Maximizing Science Returns and Spacecraft Autonomy

While recent missions have made great strides in the ability to autonomously monitor and react to changing health and physical status of spacecraft, little progress has been made in responding quickly to science driven events. Also, the new generation of space-based telescopes will generate data at an unprecedented rate. Yet, while on-board data processing and storage capability will increase rapidly, bandwidth for downloading data will not increase as fast and can become a significant cost of a science program. For observations of inherently variable targets and targets of opportunity, the ability to recognize early if an observation will not meet the science goals, and react accordingly, can have a major positive impact on the overall scientific returns of an observatory and on its operational costs. If the observatory can reprioritize the schedule to focus on alternate targets, discard uninteresting observations prior to downloading, or download them at a reduced resolution its overall efficiency will be dramatically increased. We are investigating and developing tools for a science goal monitoring (SGM) system. The SGM will have an interface to help capture higher-level science goals from the scientists and translate them into a flexible observing strategy that SGM can execute and monitor. SGM will then monitor the incoming data stream and interface with data processing systems to recognize significant events. When an event occurs, the system will use the science goals given it to reprioritize observations, and react appropriately and/or communicate with ground systems - both human and machine - for confirmation and/or further high priority analyses.

Jones, Jeremy↗

NASA NTRS2002

Science Goal Driven Observing: A Step Towards Maximizing Science Returns and Spacecraft Autonomy

In the coming decade, the drive to increase the scientific returns on capital investment and to reduce costs will force automation to be implemented in many of the scientific tasks that have traditionally been manually overseen. Thus, spacecraft autonomy will become an even greater part of mission operations. While recent missions have made great strides in the ability to autonomously monitor and react to changing health and physical status of spacecraft, little progress has been made in responding quickly to science driven events. The new generation of space-based telescopes/observatories will see deeper, with greater clarity, and they will generate data at an unprecedented rate. Yet, while onboard data processing and storage capability will increase rapidly, bandwidth for downloading data will not increase as fast and can become a significant bottleneck and cost of a science program. For observations of inherently variable targets and targets of opportunity, the ability to recognize early if an observation will not meet the science goals of variability or minimum brightness, and react accordingly, can have a major positive impact on the overall scientific returns of an observatory and on its operational costs. If the observatory can reprioritize the schedule to focus on alternate targets, discard uninteresting observations prior to downloading, or download them at a reduced resolution its overall efficiency will be dramatically increased. We are investigating and developing tools for a science goal monitoring (SGM) system. The SGM will have an interface to help capture higher-level science goals from scientists and translate them into a flexible observing strategy that SGM can execute and monitor. SGM will then monitor the incoming data stream and interface with data processing systems to recognize significant events. When an event occurs, the system will use the science goals given it to reprioritize observations, and react appropriately and/or communicate with ground systems - both human and machine - for confirmation and/or further high priority analyses.

Koratkar, Anuradha↗

NASA NTRS2004

Precision Formation Delta-V Requirements for Distributed Platforms in Earth Orbit

Distributed spacecraft flying in formation can overcome the resolution limitations of monolithic, Earth-sensing systems. However, formation spacecraft must now expend fuel to counteract disturbances and the gravity gradients between spacecraft. We consider three different formation architectures and determine the (Delta)(nu) required to maintain relative positions at accuracies from 0.1 to 10 m (1(sigma)). The three architectures considered are: (i) Leader/Follower, in which individual spacecraft controllers track with respect to a passive, leader spacecraft, (ii) Center of Formation, in which individual spacecraft controllers track with respect to the geometric center of the formation, and (iii) Iterated Virtual Structure, in which a formation template is fit each timestep and individual spacecraft controllers track with respect to the fitted template.

formation flying↗

NASA NTRS2008

Recent Developments in Transition-Edge Strip Detectors for Solar X-Rays

LMSAL and NIST are developing position-sensitive x-ray strip detectors based on Transition Edge Sensor (TES) microcalorimeters optimized for solar physics. By combining high spectral (E/ delta E approximately equals 1600) and temporal (single photon delta t approximately equals 10 micro s) resolutions with imaging capabilities, these devices will be able to study high-temperature (>l0 MK) x-ray lines as never before. Diagnostics from these lines should provide significant new insight into the physics of both microflares and the early stages of flares. Previously, the large size of traditional TESs, along with the heat loads associated with wiring large arrays, presented obstacles to using these cryogenic detectors for solar missions. Implementing strip detector technology at small scales, however, addresses both issues: here, a line of substantially smaller effective pixels requires only two TESs, decreasing both the total array size and the wiring requirements for the same spatial resolution. Early results show energy resolutions of delta E(sub fwhm) approximately equals 30 eV and spatial resolutions of approximately 10-15 micron, suggesting the strip-detector concept is viable.

Rausch, Adam J.↗

NASA NTRS2022

Tropospheric Ozone Retrieval By A Combination of TROPOMI/S5P Measurements With BASCOE Assimilated Data

We present a new tropospheric ozone dataset based on TROPOspheric Monitoring Instrument (TROPOMI)/Sentinel-5 Precursor (S5P) total ozone measurements combined with stratospheric ozone data from the Belgian Assimilation System for Chemical ObsErvations (BASCOE) constrained by assimilating ozone observations from the Microwave Limb Sounder (MLS). The BASCOE stratospheric data are interpolated to the S5P observations and subtracted from the TROPOMI total ozone data. The difference is equal to the tropospheric ozone residual column from the surface up to the tropopause. The tropospheric ozone columns are retrieved at the full spatial resolution of the TROPOMI sensor (5.5×3.5 km 2 ) with daily global coverage. Compared to the Ozone Mapping and Profiler Suite Modern-Era Retrospective analysis for Research and Applications 2 (OMPS-MERRA-2) data, a global mean positive bias of 3.3 DU is found for the analysed period April 2018 to June 2020. A small negative bias of about −0.91 DU is observed in the tropics relative to the operational TROPOMI tropical tropospheric data based on the convective cloud differential (CCD) algorithm throughout the same period. The new tropospheric ozone data (S5P-BASCOE) are compared to a set of globally distributed ozonesonde data integrated up to the tropopause level. We found 2254 comparisons with cloud-free TROPOMI observations within 25 km of the stations. In the global mean, S5P-BASCOE deviates by 2.6 DU from the integrated ozonesondes. Depending on the latitude the S5P-BASCOE deviate from the sondes and between −4.8 and 7.9 DU, indicating a good agreement. However, some exceptional larger positive deviations up to 12 DU are found, especially in the northern polar regions (north of 70∘). The monthly mean tropospheric column and time series for selected areas showed the expected spatial and temporal pattern, such as the wave one structure in the tropics or the seasonal cycle, including a summer maximum, in the mid-latitudes.

Satellite Retrieval↗