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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Engineering an Extremely Hybrid PKS for Adipic Acid Production

Polyketide synthases (PKSs) are modular enzymes with exceptional potential as biocatalysts for producing non-native compounds. Here, we report the first PKS-based pathway for adipic acid (AA), an industrial monomer for nylon production, by engineering one of the most extensively hybridized PKS systems to date. Using a retrobiosynthetic approach, we identified EtnB, a succinyl-CoA-loading module that uniquely retains the terminal carboxyl group, enabling access to dicarboxylic polyketide products, rarely produced by canonical PKSs. EtnB was coupled to a fully reducing extension module through an engineered communication linker, which improved ACP–KS interactions, enhanced titers, and demonstrated selective succinyl-CoA loading in vivo . This construct integrates genes from five organisms─with domains from seven PKS modules joined across six non-natural junctions─and functions in both Escherichia coli and Pseudomonas putida . Additional engineering that included AT domain exchanges, optimization of extender unit supply, and host strain metabolic rewiring further increased AA production. Together, this work demonstrates that highly chimeric PKSs can be rendered functional through rational design, expands the PKS toolkit with a carboxyl-retaining loading module, and establishes a versatile platform for engineering diacids and other noncanonical products through PKS pathways.

biomanufacturing↗
DOE OSTI2023

MeerKAT view of the dancing ghosts – peculiar galaxy pair PKS 2130−538 in Abell 3785

ABSTRACT We present MeerKAT L-band (886–1682 MHz) observations of the extended radio structure of the peculiar galaxy pair PKS 2130−538 known as the ‘Dancing Ghosts’. The complex of bending and possibly interacting jets and lobes originate from two active galactic nuclei hosts in the Abell 3785 galaxy cluster, one of which is the brightest cluster galaxy. The radio properties of the PKS 2130−538 – flux density, spectral index, and polarization – are typical for large, bent-tail galaxies. We also investigate a number of thin extended low surface brightness filaments originating from the lobes. South-east from the Dancing Ghosts, we detect a region of low surface brightness emission that has no clear origin. While it could originate from the Abell 3785 radio halo, we investigate the possibility that it is associated with the two PKS 2130−538 hosts. We find no evidence of interaction between the two PKS 2130−538 hosts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Bioinformatic and Mechanistic Analysis of the Palmerolide PKS-NRPS Biosynthetic Pathway From the Microbiome of an Antarctic Ascidian

Complex interactions exist between microbiomes and their hosts. Increasingly, defensive metabolites that have been attributed to host biosynthetic capability are now being recognized as products of host-associated microbes. These unique metabolites often have bioactivity targets in human disease and can be purposed as pharmaceuticals. Polyketides are a complex family of natural products that often serve as defensive metabolites for competitive or pro-survival purposes for the producing organism, while demonstrating bioactivity in human diseases as cholesterol lowering agents, anti-infectives, and anti-tumor agents. Marine invertebrates and microbes are a rich source of polyketides. Palmerolide A, a polyketide isolated from the Antarctic ascidian Synoicum adareanum, is a vacuolar-ATPase inhibitor with potent bioactivity against melanoma cell lines. The biosynthetic gene clusters (BGCs) responsible for production of secondary metabolites are encoded in the genomes of the producers as discrete genomic elements. A candidate palmerolide BGC was identified from a S. adareanum microbiome-metagenome based on a high degree of congruence with a chemical structure-based retrobiosynthetic prediction. Protein family homology analysis, conserved domain searches, active site and motif identification were used to identify and propose the function of the ~75 kbp trans-acyltransferase (AT) polyketide synthase-non-ribosomal synthase (PKS-NRPS) domains responsible for the stepwise synthesis of palmerolide A. Though PKS systems often act in a predictable co-linear sequence, this BGC includes multiple trans-acting enzymatic domains, a non-canonical condensation termination domain, a bacterial luciferase-like monooxygenase (LLM), and is found in multiple copies within the metagenome-assembled genome (MAG). Detailed inspection of the five highly similar pal BGC copies suggests the potential for biosynthesis of other members of the palmerolide chemical family. This is the first delineation of a biosynthetic gene cluster from an Antarctic microbial species, recently proposed as Candidatus Synoicihabitans palmerolidicus. These findings have relevance for fundamental knowledge of PKS combinatorial biosynthesis and could enhance drug development efforts of palmerolide A through heterologous gene expression.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The Peculiar Variable X-Ray Spectrum of the Active Galactic Nucleus PKS 2005–489

PKS 2005-489 is a well-known, bright southern BL Lac object that has been detected up to TeV energies. In a low-flux state it exhibits the expected multiwavelength double-peaked spectrum in the radio- γ -ray band. The high-flux state shows extreme flux variations in the X-ray band with a hardening as well as a peculiar curved feature in the spectrum. Thus far, PKS 2005-489 is the only source to exhibit such a feature. To study the X-ray variability further, we obtained the first hard X-ray spectrum of the source with the Nuclear Spectroscopic Telescope Array. We compare quasi-simultaneous radio, optical, UV, soft and hard X-ray, and γ -ray data of PKS 2005-489 to archival data in order to study its broadband behavior. We find a very consistent quiet state in the spectral energy distribution, with little variation in spectral shape or flux between the 2012 and 2020 data. A possible explanation for the peculiar X-ray spectrum in the flaring state is an additional component in the jet, possibly accelerated via magnetic reconnection, that is not co-spatial to the low-flux state emission region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Multiwavelength optical and NIR variability analysis of the Blazar PKS 0027-426

ABSTRACT We present multiwavelength spectral and temporal variability analysis of PKS 0027-426 using optical griz observations from Dark Energy Survey between 2013 and 2018 and VEILS Optical Light curves of Extragalactic TransienT Events (VOILETTE) between 2018 and 2019 and near-infrared (NIR) JKs observations from Visible and Infrared Survey Telescope for Astronomy Extragalactic Infrared Legacy Survey (VEILS) between 2017 and 2019. Multiple methods of cross-correlation of each combination of light curve provides measurements of possible lags between optical–optical, optical–NIR, and NIR–NIR emission, for each observation season and for the entire observational period. Inter-band time lag measurements consistently suggest either simultaneous emission or delays between emission regions on time-scales smaller than the cadences of observations. The colour–magnitude relation between each combination of filters was also studied to determine the spectral behaviour of PKS 0027-426. Our results demonstrate complex colour behaviour that changes between bluer when brighter, stable when brighter, and redder when brighter trends over different time-scales and using different combinations of optical filters. Additional analysis of the optical spectra is performed to provide further understanding of this complex spectral behaviour.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Resonant scattering at the center of the galaxy cluster PKS 0745-191 with XRISM

We report evidence of the resonant scattering effect at the center of the galaxy cluster PKS 0745-191 with XRISM. We analyzed XRISM/Resolve commissioning-phase observations of the distant cluster PKS 0745-191 ($z = 0.103$) with a $54$ ks exposure. The gain drift was corrected using the onboard modulated X-ray source (MXS), and spectra were extracted from all the pixels that were well illuminated by MXS, the core region (four central pixels, $\sim$100 kpc), and the surrounding region. A single-temperature collisional ionization equilibrium (CIE) model fits the full field-of-view spectrum with $kT \approx 6$ keV and a turbulent velocity of ${\approx}120$ km s$^{-1}$. From the core ($r < 50$ kpc) spectrum, we detected a ${\approx}22\%$ suppression of the Fe xxv He$\alpha$ resonance (w) line relative to the CIE prediction. We performed a Monte Carlo simulation to calculate the resonant scattering (RS) effect using radial profiles from Chandra data. The RS-inferred turbulence agrees with that by Resolve line-broadening, demonstrating that RS provides an independent and consistent constraint on ICM turbulence. These results highlight XRISM/Resolve’s potential for turbulence studies in galaxy clusters.

Astronomy and AstroPhysics↗
DOE OSTI2023

Simultaneous Millimeter-wave, Gamma-Ray, and Optical Monitoring of the Blazar PKS 2326-502 during a Flaring State

Including millimeter-wave data in multiwavelength studies of the variability of active galactic nuclei (AGN) can provide insights into AGN physics that are not easily accessible at other wavelengths. We demonstrate in this work the potential of cosmic microwave background (CMB) telescopes to provide long-term, high-cadence millimeter-wave AGN monitoring over large fractions of sky. We report on a pilot study using data from the SPTpol instrument on the South Pole Telescope (SPT), which was designed to observe the CMB at arcminute and larger angular scales. Between 2013 and 2016, SPTpol was used primarily to observe a single 500 deg2 field, covering the entire field several times per day with detectors sensitive to radiation in bands centered at 95 and 150 GHz. We use SPT 150 GHz observations to create AGN light curves, and we compare these millimeter-wave light curves to those at other wavelengths, in particular γ-ray and optical. In this Letter, we focus on a single source, PKS 2326-502, which has extensive, day-timescale monitoring data in gamma-ray, optical, and now millimeter-wave between 2013 and 2016. We find PKS 2326-502 to be in a flaring state in the first 2 yr of this monitoring, and we present a search for evidence of correlated variability between millimeter-wave, optical R-band, and γ-ray observations. This pilot study is paving the way for AGN monitoring with current and upcoming CMB experiments such as SPT-3G, Simons Observatory, and CMB-S4, including multiwavelength studies with facilities such as Vera C. Rubin Observatories Large Synoptic Survey Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A bimodular PKS platform that expands the biological design space

Traditionally engineered to produce novel bioactive molecules, Type I modular polyketide synthases (PKSs) could be engineered as a new biosynthetic platform for the production of de novo fuels, commodity chemicals, and specialty chemicals. Previously, our investigations manipulated the first module of the lipomycin PKS to produce short chain ketones, 3-hydroxy acids, and saturated, branched carboxylic acids. Building upon this work, we have expanded to multi-modular systems by engineering the first two modules of lipomycin to generate unnatural polyketides as potential biofuels and specialty chemicals in Streptomyces albus. First, we produce 20.6 mg/L of the ethyl ketone, 4,6 dimethylheptanone through a reductive loop exchange in LipPKS1 and a ketoreductase knockouts in LipPKS2. Furthermore, we then show that an AT swap in LipPKS1 and a reductive loop exchange in LipPKS2 can produce the potential fragrance 3-isopropyl-6-methyltetrahydropyranone. Highlighting the challenge of maintaining product fidelity, in both bimodular systems we observed side products from premature hydrolysis in the engineered first module and stalled dehydration in reductive loop exchanges. Collectively, our work expands the biological design space and moves the field closer to the production of "designer" biomolecules.

09 BIOMASS FUELS↗
DOE OSTI2020

Simultaneous observations of the blazar PKS 2155-304 from ultra-violet to TeV energies

Here we report the results of the first ever contemporaneous multi-wavelength observation campaign on the BL Lac object PKS 2155−304 involving Swift , NuSTAR , Fermi -LAT, and H.E.S.S. The use of these instruments allows us to cover a broad energy range, which is important for disentangling the different radiative mechanisms. The source, observed from June 2013 to October 2013, was found in a low flux state with respect to previous observations but exhibited highly significant flux variability in the X-rays. The high-energy end of the synchrotron spectrum can be traced up to 40 keV without significant contamination by high-energy emission. A one-zone synchrotron self-Compton model was used to reproduce the broadband flux of the source for all the observations presented here but failed for previous observations made in April 2013. A lepto-hadronic solution was then explored to explain these earlier observational results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Blazar variability power spectra from radio up to TeV photon energies: Mrk 421 and PKS 2155−304

ABSTRACT We present the results of the power spectral density (PSD) analysis for the blazars Mrk 421 and PKS 2155−304, using good-quality, densely sampled light curves at multiple frequencies, covering 17 decades of the electromagnetic spectrum, and variability time-scales from weeks up to a decade. The data were collected from publicly available archives of observatories at radio from Owens Valley Radio Observatory, optical and infrared (B, V, R, I, J, H, and Kbands), X-rays from the Swift and the Rossi X-ray Timing Explorer, high and very high energy (VHE) γ-rays from the Fermi and Very Energetic Radiation Imaging Telescope Array System as well as the High Energy Stereoscopic System. Our results are: (1) the power-law form of the variability power spectra at radio, infrared, and optical frequencies have slopes ∼1.8, indicative of random-walk-type noise processes; (2) the power-law form of the variability power spectra at higher frequencies, from X-rays to VHE γ-rays, however, have slopes ∼1.2, suggesting a flicker noise-type process; and (3) there is significantly more variability power at X-rays, high and VHE γ-rays on time-scales ≲ 100 d, as compared to lower energies. Our results do not easily fit into a simple model, in which a single compact emission zone is dominating the radiative output of the blazars across all the time-scales probed in our analysis. Instead, we argue that the frequency-dependent shape of the variability power spectra points out a more complex picture, with highly inhomogeneous outflow producing non-thermal emission over an extended, stratified volume.

Goyal, Arti↗
DOE OSTI2021

Transient quasi-periodic oscillations at γ-rays in the TeV blazar PKS 1510-089

ABSTRACT We present periodicity search analyses on the γ-ray light curve of the TeV blazar PKS 1510-089 observed by the Fermi Large Area Telescope. We report the detection of two transient quasi-periodic oscillations: A 3.6-d QPO during the outburst in 2009 that lasted five cycles (MJD 54906–54923); and a periodicity of 92 d spanning over 650 d from 2018 to 2020 (MJD 58200–58850), which lasted for seven cycles. We employed the Lomb–Scargle periodogram, Weighted Wavelet Z-transform, redfit, and the Monte Carlo light-curve simulation techniques to find any periodicity and the corresponding significance. The 3.6-d QPO was detected at a moderate significance of ∼3.5σ, while the detection significance of the 92-d QPO was ∼7.0σ. We explore a few physical models for such transient QPOs including a binary black hole system, precession of the jet, a non-axisymmetric instability rotating around the central black hole near the innermost stable circular orbit, the presence of quasi-equidistant magnetic islands inside the jet, and a geometric model involving a plasma blob moving helically inside a curved jet.

Roy, Abhradeep (ORCID:0000000249984560)↗
DOE OSTI2025

SMBH binary candidate PKS J2134−0153: possible multi-band periodic variability and inter-band time lags

ABSTRACT Studying the periodic flux-variation behaviour of blazars is vital for probing supermassive black hole binaries and the kinematics of relativistic jets. In this work, we report the detection of multi-band possible periodic variations of the blazar PKS J2134−0153, including infrared ($1.6(\pm 0.4)\times 10^3$ day) and optical ($1.8(\pm 1)\times 10^3$ day) wavelengths. The periods in the infrared and optical bands are statistically consistent with the period in the radio band ($P_{\mathrm{Radio}} = 1760\pm 33$ days, obtained from our previous work). Moreover, flux variations in different bands are correlated with evident inter-band time delays, and the time lags of infrared and optical emission with respect to radio emission are $(3.3\pm 2.3)\times 10^{2}$ days and $(3.0\pm 2.3)\times 10^{2}$ days, respectively. The cross-correlations indicate a common origin of radio, infrared, and optical emission. The relative positions between emission regions of infrared and optical emission and radio emission are estimated according to the time lags, i.e. $0.37\pm 0.26$ and $0.33\pm 0.26$ pc. The relative distances seem to be quantitatively consistent with the theoretical prediction.

Ren, Guo-Wei (ORCID:0000000214978371)↗
DOE OSTI2024

Multiwavelength investigations of PKS 2300–18: S-shaped radio quasar with precessing jets and double-peaked broad emission-line spectrum

ABSTRACT S-shaped radio galaxy jets are prime sources for investigating the dynamic interplay between the central active galactic nucleus (AGN), the jets, and the ambient intergalactic medium. These sources are excellent candidates for studying jet precession, as their S-shaped inversion symmetry strongly indicates underlying precession. We present a multiwavelength analysis of the giant inversion-symmetric S-shaped radio galaxy PKS 2300$-$18, which spans 0.76 Mpc. The host is a quasar at a redshift of 0.128, displaying disturbed optical morphology due to an ongoing merger with a companion galaxy. We conducted a broad-band radio spectral study using multifrequency data ranging from 183 MHz to 6 GHz, incorporating dedicated observations with the upgraded Giant Metrewave Radio Telescope (uGMRT) and Karl G. Jansky Very Large Array (JVLA) alongside archival radio data. A particle injection model was fitted to the spectra of different regions of the source to perform ageing analysis, which was supplemented with a kinematic jet precession model. The ageing analysis revealed a maximum plasma age of $\sim$ 40 Myr, while the jet precession model indicated a precession period of $\sim$ 12 Myr. ROentgen SATellite (ROSAT) data revealed an X-ray halo of Mpc size, and from Chandra the AGN X-ray spectrum was modelled using thermal and power-law components. The optical spectrum displaying double-peaked broad emission lines was modelled, indicating complex broad-line region kinematics at the centre with the possibility of a binary SMBH. We present the results of our multiwavelength analysis of the source, spanning scales from a few light-days to a few Mpc, and discuss its potential evolutionary path.

Misra, Arpita↗
DOE OSTI2023

Multiwavelength Observations of the Blazar PKS 0735+178 in Spatial and Temporal Coincidence with an Astrophysical Neutrino Candidate IceCube-211208A

We report on multiwavelength target-of-opportunity observations of the blazar PKS 0735+178, located 2.°2 away from the best-fit position of the IceCube neutrino event IceCube-211208A detected on 2021 December 8. The source was in a high-flux state in the optical, ultraviolet, X-ray, and GeV γ -ray bands around the time of the neutrino event, exhibiting daily variability in the soft X-ray flux. The X-ray data from Swift-XRT and NuSTAR characterize the transition between the low-energy and high-energy components of the broadband spectral energy distribution (SED), and the γ -ray data from Fermi-LAT, VERITAS, and H.E.S.S. require a spectral cutoff near 100 GeV. Both the X-ray and γ -ray measurements provide strong constraints on the leptonic and hadronic models. We analytically explore a synchrotron self-Compton model, an external Compton model, and a lepto-hadronic model. Models that are entirely based on internal photon fields face serious difficulties in matching the observed SED. The existence of an external photon field in the source would instead explain the observed γ -ray spectral cutoff in both the leptonic and lepto-hadronic models and allow a proton jet power that marginally agrees with the Eddington limit in the lepto-hadronic model. We show a numerical lepto-hadronic model with external target photons that reproduces the observed SED and is reasonably consistent with the neutrino event despite requiring a high jet power.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Hubble Space Telescope Observations within the Sphere of Influence of the Powerful Supermassive Black Hole in PKS 0745-191

We present Space Telescope Imaging Spectrograph observations from the Hubble Space Telescope of the supermassive black hole (SMBH) at the center of PKS 0745-191, a brightest cluster galaxy (BCG) undergoing powerful radio-mode active galactic nucleus (AGN) feedback (P cav ~ 5 × 10 45 erg s -1 ). These high-resolution data offer the first spatially resolved map of gas dynamics within an SMBH's sphere of influence under such powerful feedback. Our results reveal the presence of highly chaotic, nondrotational ionized gas flows on subkiloparsec scales, in contrast to the more coherent flows observed on larger scales. While radio-mode feedback effectively thermalizes hot gas in galaxy clusters on kiloparsec scales, within the core, the hot gas flow may decouple, leading to a reduction in angular momentum and supplying ionized gas through cooling, which could enhance accretion onto the SMBH. This process could, in turn, lead to a self-regulating feedback loop. Compared to other BCGs with weaker radio-mode feedback, where rotation is more stable, intense feedback may lead to more chaotic flows, indicating a stronger coupling between jet activity and gas dynamics. Additionally, we observe a sharp increase in velocity dispersion near the nucleus, consistent with a very massive M BH ~ 1.5 × 10 10 M ⊙ SMBH. The density profile of the ionized gas is also notably flat, paralleling the profiles observed in X-ray gas around galaxies where the Bondi radius is resolved. These results provide valuable insights into the complex mechanisms driving galaxy evolution, highlighting the intricate relationship between SMBH fueling and AGN feedback within the host galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
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↗
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),↗