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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Variation in hydrogen emission lines of the QSO PKS 0736 + 017

Significant variations of the broad hydrogen emission lines in the QSO 0736 + 017 have been found. Between 1978 and 1980 the H-beta line intensity dropped by 40-percent, and between 1985 and 1986 it increased by more than 50 percent. The H-gamma line intensity underwent a larger fractional change. Line variations occurred in less than 1 yr after variations of the underlying continuum, indicating that a major part of the broad line emission originates in a region of 1 lt-yr or smaller if it is spherical.

Zheng, W.↗
NASA NTRS1991

The X-ray cooling flow in the cluster of galaxies around PKS 2354-35

The identification of the bright, hard X-ray source 4U 0009-33 = 3A 2356-341 = 1H 2355-350 is presently confirmed on the basis of Exosat CMA detector measurements of position and spatial extent. On the basis of these X-ray observations, a strong accretion flow is deduced; the luminosity and core radius imply a central density of at least 0.008/cu cm. The central cooling time is not greater than 5 billion yr, and the mass accretion rate is about 320 solar masses/yr.

Schwartz, Daniel A.↗
NASA NTRS2016

First NuSTAR Observations of the BL Lac-Type Blazar PKS 2155-304: Constraints on the Jet Content and Distribution of Radiating Particles

We report the first hard X-ray observations with NuSTAR of the BL Lac-type blazar PKS2155-304, augmented with soft X-ray data from XMM-Newton and gamma-ray data from the Fermi Large Area Telescope, obtained in 2013April when the source was in a very low flux state. A joint NuSTAR and XMM spectrum, covering the energy range 0.5-60 keV, is best described by a model consisting of a log-parabola component with curvature Beta = -0.3(+0.2 -0.1) and a (local) photon index 3.04 +/- 0.15 at photon energy of 2 keV, and a hard power-law tail with photon index 2.2 +/- 0.4. The hard X-ray tail can be smoothly joined to the quasi-simultaneous gamma-ray spectrum by a synchrotron self-Compton component produced by an electron distribution with index p 2.2. Assuming that the power-law electron distribution extends down to gamma (sub min) = 1 and that there is one proton per electron, an unrealistically high total jet power of Lp approximately 10 (exp 47) erg s(sub -1) is inferred. This can be reduced by two orders of magnitude either by considering a significant presence of electron-positron pairs with lepton-to-proton ratio n(sub e+e-/n(sub p) approx. 30, or by introducing an additional, low-energy break in the electron energy distribution at the electron Lorentz factor gamma br1 approx. 100. In either case, the jet composition is expected to be strongly matter-dominated

gamma ray↗
DOE OSTI2022

ClusterCAD 2.0: an updated computational platform for chimeric type I polyketide synthase and nonribosomal peptide synthetase design

Abstract Megasynthase enzymes such as type I modular polyketide synthases (PKSs) and nonribosomal peptide synthetases (NRPSs) play a central role in microbial chemical warfare because they can evolve rapidly by shuffling parts (catalytic domains) to produce novel chemicals. If we can understand the design rules to reshuffle these parts, PKSs and NRPSs will provide a systematic and modular way to synthesize millions of molecules including pharmaceuticals, biomaterials, and biofuels. However, PKS and NRPS engineering remains difficult due to a limited understanding of the determinants of PKS and NRPS fold and function. We developed ClusterCAD to streamline and simplify the process of designing and testing engineered PKS variants. Here, we present the highly improved ClusterCAD 2.0 release, available at https://clustercad.jbei.org. ClusterCAD 2.0 boasts support for PKS-NRPS hybrid and NRPS clusters in addition to PKS clusters; a vastly enlarged database of curated PKS, PKS-NRPS hybrid, and NRPS clusters; a diverse set of chemical ‘starters’ and loading modules; the new Domain Architecture Cluster Search Tool; and an offline Jupyter Notebook workspace, among other improvements. Together these features massively expand the chemical space that can be accessed by enzymes engineered with ClusterCAD.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Supervised learning with word embeddings derived from PubMed captures latent knowledge about protein kinases and cancer

Abstract Inhibiting protein kinases (PKs) that cause cancers has been an important topic in cancer therapy for years. So far, almost 8% of >530 PKs have been targeted by FDA-approved medications, and around 150 protein kinase inhibitors (PKIs) have been tested in clinical trials. We present an approach based on natural language processing and machine learning to investigate the relations between PKs and cancers, predicting PKs whose inhibition would be efficacious to treat a certain cancer. Our approach represents PKs and cancers as semantically meaningful 100-dimensional vectors based on word and concept neighborhoods in PubMed abstracts. We use information about phase I-IV trials in ClinicalTrials.gov to construct a training set for random forest classification. Our results with historical data show that associations between PKs and specific cancers can be predicted years in advance with good accuracy. Our tool can be used to predict the relevance of inhibiting PKs for specific cancers and to support the design of well-focused clinical trials to discover novel PKIs for cancer therapy.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1984

X-ray and UV observations of two radio-bright quasars

The two quasars PKS 10004 + 13 (4C 13.41, V about equal to 15.2, z = 0.140) and PKS 0637 - 75 (V = 15.75, z = 0.651) were observed in December 1980 with IUE. Both were detected in the short-wavelength region. The present X-ray upper limit for PKS 1004 + 13 gives the lowest L-x/L-opt measured in quasars. PKS 0637 - 75 was observed nearly simultaneously with the Einstein Observatory and a spectrum obtained with the IPC. The UV and soft X-ray data have been combined and are discussed together with the optical and infrared data for both objects. The extreme L-x/L-opt ratio of PKS 1004 + 13 may be the result of an exceptionally large blackbody UV excess superposed on a power-law continuum of slope about 1.1. An alternative would be a large hydrogen column absorbing low-energy X-rays although this is unlikely. PKS 0637 - 75 shows no evidence for any UV excess. The two quasars seem to be at opposite ends of the degree of dominance of the UV spectrum by a blackbody component. The lack of a Lyman limit discontinuity in PKS 0637 - 75 at the redshift of an intervening galaxy implies that the optically detected, intervening hydrogen is ionized.

Elvis, M.↗
NASA NTRS1994

Searching for cluster magnetic fields in the cooling flows of 0745-191, A2029, and A4059

We have performed sensitive polarimetric radio observations with the Very Large Array (VLA) of three galaxies: PKS 0745-191, PKS 1508+059, and PKS 2354-350, embedded in x-ray cooling flow clusters. High sensitivity, multifrequency maps of all three, along with spectral index and Faraday rotation measure (RM) maps of PKS 1508+059 and PKS 2354-350 are presented. For PKS 1508+059 and PKS 2354-350 models of the electron density of the intracluster medium (ICM) have been used to set lower limits of 0.1 and 2.7 microG, respectively, on the magnetic field in the ICM based on the observed RMs. In an x-ray selected sample of cooling flow clusters with an associated radio source, 57% (8/14) are found to have absolute RMs in excess of 800 radians/sq m. This sample includes the three sources of this study and all the other high RM sources found to date at zeta less than 0.4. These facts are consistent with the high RM phenomenon being produced by magnetic fields associated with the relatively dense, hot x-ray gas in cooling flow clusters.

Taylor, Gregory B.↗
NASA NTRS1994

Absorption in X-ray spectra of high-redshift quasars

We present evidence that X-ray absorption is common in high-redshift quasars. We have studied six high-redshift (z approximately 3) quasars with the ROSAT Position Sensitive Proportional Counter (PSPC) of which four are in directions of low Galactic N(sub H). Three out of these four show excess absorption, while only three in approximately 50 z approximately less than 0.4 quasars do, indicating that such absorption must be common, but not ubiquitous, at high redshifts, and that the absorbers must lie at z greater than 0.4. The six quasars were: S5 0014+81, Q0420-388, PKS 0438-436, S4 0636+680. PKS 2000-330, PKS 2126-158, which have redshifts between 2.85 and 3.78. PKS 0438-436 and PKS 2126-158 show evidence for absorption above the local Galactic value at better than 99.999% confidence level. If the absorber is at the redshift of the quasar, then values of N(sub H) = (0.86(+0.49, -0.28)) x 10(exp 22) atoms/sq cm for PKS 0438-436, and N(sub H) = (1.45(+1.20, -0.64)) x 10(exp 22) atoms/ sq cm for PKS 2126-158, are implied, assuming solar abundances. The spectrum of S4 0636+680 also suggests the presence of a similarly large absorption column density at the 98% confidence level. This absorption reverses the trend for the most luminous active galactic nuclei (AGN) to have the least X-ray absorption, so a new mechanism is likely to be responsible. Intervening absorption due to damped Lyman(alpha) systems is a plausible cause. We also suggest, as an intrinsic model, that intracluster material, e.g., a cooling flow, around the quasar could account for both the X-ray spectrum and other properties of these quasars. All the quasars are radio-loud and three are gigahertz peaked (two of the three showing absorption). No excess absorption above the Galactic value is seen toward Q0420-388. This quasar has two damped Lyman(alpha) systems at z = 3.08. The limit on the X-ray column density implies a low ionization fraction, N(H I)/N(H) approximately greater than 4 x 10(exp -3) (3 (sigma)), for solar abundances, for these systems, and can set a weak limit on the size of the absorber. In the emitted frame these PSPC spectra cover the band approximately 0.5-10 keV, which has been well observed for low-redshift quasars and AGN. Comparison of high and low-redshift spectra in this emitted band shows no change of mean spectral index greater than Delta alpha(sub E) greater than 0.3 (99% confidence) with either redshift or luminosity, for radio-loud quasars.

Elvis, Martin↗
DOE OSTI2025

Engineering Polyketide Stereocenters with Ketoreductase Domain Exchanges

Polyketide synthases (PKSs) are versatile biosynthetic megasynthases capable of producing a diverse range of natural products with many applications, including in pharmaceuticals. The stereochemical precision of PKSs makes them a powerful tool for engineering tailored, unnatural polyketides; however, modifying the stereocenters of a PKS product while maintaining production levels remains a significant challenge. In this study, we systematically tested and evaluated strategies for ketoreductase (KR) domain exchanges, the domain responsible for setting stereocenters of polyketide products. After first optimizing the method for KR exchanges, we then performed 44 KR domain exchanges on three different PKSs to obtain high production of all four stereoisomers in vivo. By testing both one- and two-module PKS systems, we investigated how downstream modules process intermediates with altered stereochemistry and found that the configuration of the α-substituents was critical for gatekeeping by the ketosynthase (KS). To overcome this constraint, we investigated two different strategies for altering the KS domain, including introducing targeted mutations in the downstream KS, and exploring boundaries in exchanging the entire functional unit from the donor PKS. Both strategies successfully modified the KS stereocontrol with distinct trade-offs; the functional unit exchange resulted in higher titer improvements, though it was more likely to break the entire PKS. This study demonstrates a comprehensive approach to successfully engineering all four stereochemical configurations in multiple PKS systems, advancing our understanding of and ability to rationally modify polyketide stereochemistry through multiple engineering strategies.

Keiser, Leah S. [Joint BioEnergy Institute (JBEI),↗
DOE OSTI2020

Predicting the chemical space of fungal polyketides by phylogeny-based bioinformatics analysis of polyketide synthase-nonribosomal peptide synthetase and its modification enzymes

Fungal polyketide synthase (PKS)–nonribosomal peptide synthetase (NRPS) hybrids are key enzymes for synthesizing structurally diverse hybrid natural products (NPs) with characteristic biological activities. Predicting their chemical space is of particular importance in the field of natural product chemistry. However, the unexplored programming rule of the PKS module has prevented prediction of its chemical structure based on amino acid sequences. Here, we conducted a phylogenetic analysis of 884 PKS–NRPS hybrids and a modification enzyme analysis of the corresponding biosynthetic gene cluster, revealing a hidden relationship between its genealogy and core structures. This unexpected result allowed us to predict 18 biosynthetic gene cluster (BGC) groups producing known carbon skeletons (number of BGCs; 489) and 11 uncharacterized BGC groups (171). The limited number of carbon skeletons suggests that fungi tend to select PK skeletons for survival during their evolution. The possible involvement of a horizontal gene transfer event leading to the diverse distribution of PKS–NRPS genes among fungal species is also proposed. This study provides insight into the chemical space of fungal PKs and the distribution of their biosynthetic gene clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗