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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Closing the Loop on Automotive Carbon Fiber Prepreg Manufacturing Scrap

The project demonstrated how to “close the loop” on carbon fiber by integrating industrial carbon fiber scrap into new functional components in an automotive lightweighting application. The project serves as a validation of discontinuous recycled carbon fiber in a commercial context, while generating comprehensive material data throughout the production chain. To this end, the project exhibited increasing complexity as material evaluation progressed from benchtop to commercial scale through full-scale part production, with key material properties thoroughly characterized throughout the process. Of particular focus was the form of the fiber that was fed into compounding, as recycled fiber has historically been problematic to feed at commercial-scale. Carbon fiber is energy-intensive to manufacture, so reuse of existing fiber material can reduce costs and increase sustainability. Additionally, by integrating recovered short fiber into a thermoplastic, regrind processes can be used to provide feedstock for later generations of product. While regrind plastics are not “infinitely recyclable”, reusing the manufacturing scrap over several generations of products can greatly increase material sustainability and lower the fractional embodied energy of each successive product. As such, this project supports the IACMI technical goals of (1) 25% lower carbon fiber-reinforced polymer (CFRP) cost, (2) 50% reduction in CFRP embodied energy, and (3) 80% composite recyclability into useful products. The initial stage of the project involved down selecting surface treatment (sizing) chemistries. Sizing evaluations were performed on Vartega’s chemically recycled intermediate modulus fiber along with standard modulus dry scrap which was oversized with sizing provided by Michelman. More dramatic improvements from sizing were found on the standard rather than the intermediate modulus fibers. The strength of the chemically recycled individual fibers were evaluated by Michelman and ORNL through single fiber testing and found to be comparable to similarly evaluated virgin fibers. UDRI’s mechanical testing on injection molded test specimens identified similar mechanical properties and fiber distribution relative to benchmark specimens. Additional surface chemistry tests and visualizations were performed by the Colorado School of Mines to confirm close conformance between the benchmark and recycled-fiber specimens. As the mechanical test results exceeded the 80% threshold established as the go/no-go(GNG), the project scale was increased to use commercial-scale equipment that would both better characterize the manufacturing utility of the target product format and allow qualitative assessment of a complex commercial part. An upscaled compounding evaluation was performed with a 27 mm twin-screw compounding extruding using oversized standard modulus fibers that were formatted to improve bulk solids transfer. The project team anticipated that milestone mechanical benchmarks could be achieved given the favorable performance of the sized standard modulus material identified in the initial micro-compounding trials. While the mechanical performance did meet the milestone target for that phase of the project, mechanical properties for this standard modulus-based compound were still less than those of the Ford specification. To compare the performance, the project team oversized intermediate modulus dry fibers and compounded them with the project resin at BASF using a 40 mm compounder. Test specimen mechanical performance exceeded the targets laid out in both the project milestone and the Ford specification. A series of prototype parts were successfully molded, albeit with instances of short shot components due to the high thermal conductivity of the carbon fiber compared to glass fiber for which the prototype tool was designed for. The project demonstrated that recycled carbon fiber is a viable option in fiber reinforced compound, providing greatly increased strength and modulus for applications that require them. The “agglomerated” format that facilitated effective bulk solids transfer of recovered fiber showed promise for industrial application.

36 MATERIALS SCIENCE↗
DOE OSTI2025

X-Ray Spectra from General Relativistic Radiation Magnetohydrodynamic Simulations of Thin Disks

We compare X-ray emission from several general relativistic, multifrequency, radiation magnetohydrodynamic simulations of thin black hole accretion disks with different accretion rates and spins. The simulations were performed using the M1 closure scheme, resolved with 12 frequency (energy) bins logarithmically spaced from 5 × 10 −3 to 5 × 10 3 ​​​ keV. We apply a general relativistic Monte Carlo transport code to postprocess the simulation data with greater fidelity in frequency resolution and Compton scattering treatment. Despite the relatively few energy bins and Kompaneets approximation to Compton scattering utilized in the M1 method, we find generally good agreement between the methods. Both produce prominent thermal profiles with peaks around 2–2.5 keV, where agreement is particularly strong and representative of the soft state. Both also find weaker (lower-luminosity) thermally sourced emission extending out to 100 keV due to the hotter innermost regions of the disks. Inverse Compton scattering becomes increasingly effective at hardening spectral outputs with increasing black hole spin, and becomes the dominant mechanism for photons that escape with energies between 10 to several hundred keV. At very high rates of spin, the radiation flux in this upscattered component becomes comparable to the thermal flux, a phenomenon typically associated with intermediate states. Beyond 10 4 keV, we observe faint, free–free emission from hot, optically thin coronal regions developing near the horizon, common to both spinning and nonspinning black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

Diverse Electron-Induced Optical Emissions from Space Observatory Materials at Low Temperatures

Electron irradiation experiments have investigated the diverse electron-induced optical and electrical signatures observed in ground-based tests of various space observatory materials at low temperature. Three types of light emission were observed: (i); long-duration cathodoluminescence which persisted as long as the electron beam was on (ii) short-duration (<1 s) arcing, resulting from electrostatic discharge; and (iii) intermediate-duration (~100 s) glow-termed "flares". We discuss how the electron currents and arcing-as well as light emission absolute intensity and frequency-depend on electron beam energy, power, and flux and the temperature and thickness of different bulk (polyimides, epoxy resins, and silica glasses) and composite dielectric materials (disordered SiO2 thin films, carbon- and fiberglass-epoxy composites, and macroscopically-conductive carbon-loaded polyimides). We conclude that electron-induced optical emissions resulting from interactions between observatory materials and the space environment electron flux can, in specific circumstances, make significant contributions to the stray light background that could possibly adversely affect the performance of space-based observatories.

long-duration cathodoluminescence↗
DOE OSTI2021

Measurements of the Beam Normal Asymmetry using Polarized Elastic Electron Scattering off Various Spin-0 Nuclei at 1 GeV

In this first part of this thesis, I report on the 1 GeV beam normal asymmetry measurements (AT) on various spin-0 nuclei during PREX-II. In a QED framework, this P-even, T-odd observable is a direct probe of the imaginary part of the two-photon exchange amplitude, since time reversal symmetry dictates AT must vanish in the one-photon approximation. At ultrarelativistic energies, the beam normal asymmetry is sensitive to the hadronic structure of the target nucleus. Calculations of the two-photon exchange amplitude are challenging since one has to consider all intermediate hadronic states in the calculation. The treatment of the states are both model and kinematics dependent. Therefore direct measurements of the beam normal asymmetry can test theory models. For experiments which measure the parity-violating asymmetry APV,the beam normal asymmetry can enter as a false asymmetry for APV when the beam is not 100% longitudinally polarized.

Richards, Ryan↗
DOE OSTI2025

Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction

Incremental full configuration interaction (iFCI) is a polynomial-cost electronic structure method that systematically approaches the FCI limit by employing the method of increments to solve the Schrödinger equation through a many-body expansion. This article introduces the many-body basis set amelioration (MBBSA) method, which is designed to allow iFCI to be applicable to larger atomic orbital basis sets. MBBSA uses a series of inexpensive iFCI calculations to approximate the correlation energy that would be found using a more expensive, highly accurate iFCI calculation. Here, when compared to standard iFCI computations on smaller molecules in triple-zeta and larger basis sets, MBBSA provides approximations to the total and relative energies within chemical accuracy. MBBSA exhibits a reduced cost of between 60-92% when compared to standard iFCI calculations, with larger systems experiencing the largest benefit. Tests of MBBSA on two reactions that involve highly correlated systems, the automerization of cyclobutadiene and a Criegee intermediate reaction, show that MBBSA has practical utility for studying realistic chemistries.

Basis sets↗
DOE OSTI2022

Multiwavelength Observations of the Blazar VER J0521+211 during an Elevated TeV Gamma-Ray State

We report on a long-lasting, elevated gamma-ray flux state from VER J0521+211 observed by VERITAS, MAGIC, and Fermi-LAT in 2013 and 2014. The peak integral flux above 200 GeV measured with the nightly binned light curve is (8.8 ± 0.4) × 10 –7 photons m –2 s –1 , or ~37% of the Crab Nebula flux. Multiwavelength observations from X-ray, UV, and optical instruments are also presented. A moderate correlation between the X-ray and TeV gamma-ray fluxes was observed, and the X-ray spectrum appeared harder when the flux was higher. Using the gamma-ray spectrum and four models of the extragalactic background light (EBL), a conservative 95% confidence upper limit on the redshift of the source was found to be z ≤ 0.31. Unlike the gamma-ray and X-ray bands, the optical flux did not increase significantly during the studied period compared to the archival low-state flux. The spectral variability from optical to X-ray bands suggests that the synchrotron peak of the spectral energy distribution (SED) may become broader during flaring states, which can be adequately described with a one-zone synchrotron self-Compton model varying the high-energy end of the underlying particle spectrum. The synchrotron peak frequency of the SED and the radio morphology of the jet from the MOJAVE program are consistent with the source being an intermediate-frequency-peaked BL Lac object.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Lanthanum-Doped Graphene for Electrocatalytic Reduction of Nitrogen Monoxide

Electrocatalytic conversion of nitrogen oxides is a promising approach to address nitrogen pollution in underground water. Nitrogen oxides, such as nitrate and nitrite, can be reduced to N 2 and NH 3 over an electrocatalyst, with NO as the key intermediate, subsequent reaction of which controls the overall activity and selectivity. Here, we report density functional theory calculations of NO electrocatalytic reduction (NOER) over lanthanum embedded in graphene, through which we show that the localized states in La drive the reaction favorably due to more pronounced molecular adsorption and charge transfer than transition metals such as Co. The free energy profiles are compared between the La-based single-atom catalyst (SAC) and Co-based SAC, for producing N 2 and NH 3 . We find that the La-SAC intensifies the electron transfer to the adsorbed NO, promoting the first protonation step of NO, which is the potential-limiting step on the Co-SAC. Also, an intriguing effect of the water solvent is revealed on the La-SAC. In addition to stabilizing the intermediate species, water molecules that are coordinated with La participate directly in the protonation steps, enhancing the catalyst activity. Furthermore, this study reveals the unique mechanism of NOER over rare-earth-based catalysts, highlighting the potential application of atomically dispersed f-block elements for electrocatalytic reactions.

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

ChemComp: A Compilation Framework for Computing with Chemical Reaction Networks

The acceleration of scientific computation, data analytics, and artificial intelligence is driving a surge in computational requirements. Yet, state-of-the-art high-performance computing systems are approaching physical limitations that impede further significant improvements in energy efficiency. As we move towards post-exascale computing systems, innovative approaches are necessary to overcome this barrier in power consumption. Novel analog and hybrid digital-analog architectures hold promise for enhancing energy efficiency by several orders of magnitude. Biochemical computation stands out among the various solutions being explored due to its potential to enable new classes of devices with immense computational capabilities. These devices can capitalize on the inherent efficacy of biological cells in solving optimization problems and are scalable through increasing reaction system size or vessel capacity, potentially satisfying scientific computing's high-performance requirements. Nonetheless, several theoretical and practical limitations persist, including problem formulation and mapping to chemical reaction networks (CRNs) and implementation of actual CRN devices. In this paper, we propose a framework for biochemical computation using systems chemistry. We present the initial components of our approach: an abstract chemical reaction dialect implemented as a multi-level intermediate representation (MLIR) compiler extension and a pathway to represent mathematical problems with CRNs. To showcase the potential of this approach, we emulate a simplified chemical reservoir device. This work lays the groundwork for leveraging chemistry's computing potential in creating energy-efficient, high-performance computing systems tailored to contemporary computational needs.

artificial intelligence↗
DOE OSTI2022

High‐Performance and Durable Fuel Cells using Co/Sr‐Free Fluorite‐Based Mixed Conducting (Pr,Ce)O 2‐δ Cathode

Abstract A major challenge to overcome in demonstrating solid oxide fuel cells (SOFCs) to be suitable as efficient and environmentally friendly energy conversion devices capable of addressing pressing clean energy and environmental needs is to surmount chemical and thermo‐mechanical instabilities in their operational phase. To date, perovskite‐based mixed conducting cathodes, which include inherent Co and Sr elements for enhanced reactivity and conductivity, have been intensively studied. These Co/Sr‐based oxides, however, exhibit severe thermochemical expansion and suffer from Sr surface segregation, ultimately degrading the electrode performance. Here, high‐performance and durable SOFCs are demonstrated by employing a Co/Sr‐free fluorite‐based mixed conducting (Pr,Ce)O 2‐δ (PCO) cathode eminently compatible with fluorite‐based solid electrolytes. The nanocolumnar PCO electrode developed in this study provides not only a remarkable low level of electrode resistance (e.g., ≈0.05 Ω cm 2 at 600 °C) but also exceptional long‐term stability (e.g., a degradation rate 15 times slower compared to the state‐of‐the‐art La 0.6 Sr 0.4 CoO 3‐δ perovskite). The competitive peak power densities of an anode‐supported single cell with the PCO cathode are also successively achieved, recording a value of 0.92 W cm −2 at 600 °C. These findings herald the development of new Co/Sr‐free electrodes for SOFCs at intermediate temperatures.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Machine Learning Approaches to Predicting Induced Seismicity and Imaging Geothermal Reservoir Properties

This project developed machine learning (ML) methods, lab data sets, and field data to advance geothermal exploration and geothermal energy production. The work had three focus areas. One involved the development of ML methods to use microearthquakes (MEQs) for imaging geothermal reservoir properties and improving subsurface characterization – most importantly the evolution of permeability within the evolving reservoir. This part of the work included development of ML approaches for automated MEQ location, focal mechanism determination and identification of earthquake precursors. The second area focused on using MEQ signals generated by geothermal exploration and production to predict the relationship between fluid injection and seismicity. Here, we extended to reservoir scale our success in using ML to predict laboratory earthquakes and fault zone stress state. The third focus area was on lab experiments. Here, we developed new ML models for lab earthquake prediction and identification of precursors to failure to improve earthquake forecasting and early warning in geothermal settings. Major outcomes of our work include ML models that learn from MEQ signals during geothermal exploration and production to predict induced seismicity. MEQs occur naturally in connection with drilling and energy production. We developed ML methods to use the seismic waves from these events to characterize the elastic, hydraulic and poromechanical properties of reservoirs. Our work illuminated fracture geometry and the evolution of fracture permeability by incorporating seismic coda wave analysis and ML methods to relate fluid injection and seismicity. We significantly expanded laboratory earthquake prediction to include methods that use both passive measurements of microearthquakes within the lab fault zones and also active source acoustic measurements of fault zone elastic properties. These methods can now predict fault zone stress state, time to failure and the magnitude of lab earthquakes. Our work showed that repetitive stick- slip failure events during frictional sliding (the lab equivalent of earthquakes) are preceded by a cascade of micro-failure events that radiate energy in a manner that foretells unstable failure – manifest as laboratory MEQs. We documented a mapping between fracture properties and statistical attributes of elastic radiation. We extended existing works to geothermal reservoir scale and developed ML methods to determine reservoir permeability, fracture properties, and their evolution during geothermal energy production. An attractive feature of ML algorithms is their ability to handle big datasets and reveal patterns and correlations that may remain invisible to conventional analyses. Our work connected data from field, laboratory and intermediate scales to study permeability, stress, strength, fracture stiffness and geometry. At the field scale we used data from the Newberry Volcano field site, UtahFORGE, EGS Collab, and also the Bedretto underground research lab in Switzerland. These data sets are bridging the gap between the lab scale, theory, and reservoir scale. Our work produced plain language summaries to improve public understanding of DOE research. We also developed openly distributed ML and seismicity datasets for use by all researchers and we published connections between induced seismicity in geothermal areas and reservoir properties including permeability, fracture properties, and stress state. Our models are designed for the large data sets of induced seismicity typically associated with geothermal sites. We produced labeled event catalogs and used them on geothermal data to assess how ML can facilitate geothermal production and exploration. All datasets are available on the GDR Productivity: The project produced 32 publications in peer reviewed journals (two are in review). It supported the work of 6 PhD students, 40 conference presentations, 6 keynote talks at national meetings, and mentoring and professional development for 4 postdoctoral fellows.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Singly Reduced Iridium Chromophores: Synthesis, Characterization, and Photochemistry

One-electron reduced photosensitizers have been invoked as crucial intermediates in photoredox catalysis, including multiphoton excitation and electrophotocatalytic processes. However, such reduced chromophores have been less investigated, limiting mechanistic studies of their associated electron transfer processes. Here, we report a total of 11 different examples of isolable singly reduced iridium chromophores. Chemical reduction of a cyclometalated iridium complex with potassium graphite affords a 19-electron species. Structural and spectroscopic characterizations reveal a ligand-centered reduction product. The reduced chromophore absorbs a wide range of light from ultraviolet to near-infrared and exhibits photoinduced bimolecular electron transfer reactivity. Furthermore, these studies shed light on elusive reduced iridium chromophores in both ground and excited states, providing opportunities to investigate a commonly invoked intermediate in photoredox catalysis.

14 SOLAR ENERGY↗
DOE OSTI2020

Efficacy of the Cell Perturbation Method in Large-Eddy Simulations of Boundary Layer Flow over Complex Terrain

A challenge to simulating turbulent flow in multiscale atmospheric applications is the efficient generation of resolved turbulence motions over an area of interest. One approach is to apply small perturbations to flow variables near the inflow planes of turbulence-resolving simulation domains nested within larger mesoscale domains. While this approach has been examined in numerous idealized and simple terrain cases, its efficacy in complex terrain environments has not yet been fully explored. Here, we examine the benefits of the stochastic cell perturbation method (CPM) over real complex terrain using data from the 2017 Perdigão field campaign, conducted in an approximately 2-km wide valley situated between two nearly parallel ridges. Following a typical configuration for multiscale simulation using nested domains within the Weather Research and Forecasting (WRF) model to downscale from the mesoscale to a large-eddy simulation (LES), we apply the CPM on a domain with horizontal grid spacing of 150 m. At this resolution, spurious coherent structures are often observed under unstable atmospheric conditions with moderate mean wind speeds. Results from such an intermediate resolution grid are often nested down for finer, more detailed LES, where these spurious structures adversely affect the development of turbulence on the subsequent finer grid nest. We therefore examine the impacts of the CPM on the representation of turbulence within the nested LES domain under moderate mean flow conditions in three different stability regimes: weakly convective, strongly convective, and weakly stable. In addition, two different resolutions of the underlying terrain are used to explore the role of the complex topography itself in generating turbulent structures. We demonstrate that the CPM improves the representation of turbulence within the LES domain, relative to the use of high-resolution complex terrain alone. During the convective conditions, the CPM improves the rate at which smaller-scales of turbulence form, while also accelerating the attenuation of the spurious numerically generated roll structures near the inflow boundary. During stable conditions, the coarse mesh spacing of the intermediate LES domain used herein was insufficient to maintain resolved turbulence using CPM as the flow develops downstream, highlighting the need for yet higher resolution under even weakly stable conditions, and the importance of accurate representation of flow on intermediate LES grids.

17 WIND ENERGY↗
DOE OSTI2024

An Empirical Validation of a Constrained Bin Packing Algorithm for a Home Energy Management System

The increasing number of intelligent electrical appliances and home energy management systems provide a big opportunity for demand response services from residential and small commercial buildings to the grid. Simultaneously, direct control of individual devices by utilities can cause communication bottlenecks, as well as coordination and privacy concerns. These challenges can be addressed by combining the constituent devices into a single house battery equivalent for the purposes of demand response, using Minkowski sum and a 2d bin packing problem. However, the well-studied traditional problems have not been tested in a real house, as implementation carries significant challenges of its own. We deploy the packing problem on residential devices in a controllable house. We report the barriers we found, such as charge forecast and scalability of the algorithm, and discuss our solutions. The study serves as an intermediate step between existing theoretical research and possible future steps, such as prototype deployments of systems that provide residential demand response.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1991

Load limiting energy absorbing lightweight debris catcher

In the representative embodiment of the invention disclosed, a load limiting, energy absorbing net is arranged to overlay a normally-covered vent opening in the rear bulkhead of the space orbiter vehicle. Spatially-disposed flexible retainer straps are extended from the net and respectively secured to bulkhead brackets spaced around the vent opening. The intermediate portions of the straps are doubled over and stitched together in a pattern enabling the doubled-over portions to progressively separate at a predicable load designed to be well below the tensile capability of the straps as the stitches are successively torn apart by the forces imposed on the retainer members whenever the cover plate is explosively separated from the bulkhead and propelled into the net. By arranging these stitches to be successively torn away at a load below the strap strength in response to forces acting on the retainers that are less than the combined strength of the retainers, this tearing action serves as a predictable compact energy absorber for safely halting the cover plate as the retainers are extended as the net is deployed. The invention further includes a block of an energy-absorbing material positioned in the net for receiving loose debris produced by the explosive release of the cover plate.

Kahn, Jon B.↗
DOE OSTI2020

Why Conventional Design Rules for C–H Activation Fail for Open-Shell Transition-Metal Catalysts

The design of selective and active C–H activation catalysts for direct methane-to-methanol conversion is challenging. Bioinspired complexes that form high-valent metal–oxo intermediates capable of hydrogen abstraction and rebound hydroxylation are promising candidates. This promise has made them a target for computational high-throughput screening, typically simplified through the use of linear free energy relationships (LFERs). However, their mid-row transition-metal centers have numerous accessible spin and oxidation states that increase the combinatorial scale of design efforts. Here, we carry out a computational design screen of over 2500 mid-row 3d transition-metal complexes with four metals in numerous spin and oxidation states. We demonstrate the importance of spin/oxidation state in dictating design principles, limiting the generalization of strategies derived for widely studied high-spin Fe(II) catalysts to other metals or spin/oxidation states. Combined assessment of the effect of ligand-field tuning on reaction step energetics and on the identity of the ground state allows us to propose refined design strategies for spin-allowed methane-to-methanol catalysis. We observe weak coupling of energetics and design principles between reaction steps (e.g., oxo formation vs methanol release), meaning that LFERs do not generalize across our larger catalyst set. To rationalize relative reactivity in known catalysts, we instead compute independent reaction energies and propose strategies for further improvements in catalyst design.

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

New insights into backbending in the symmetry-adapted shell-model framework

Here we provide insights into the backbending phenomenon within the symmetry-adapted framework which naturally describes the intrinsic deformation of atomic nuclei. For 20 Ne, the canonical example of backbending in light nuclei, the ab initio symmetry-adapted no-core shell model shows that while the energy spectrum replicates the backbending from experimental energies under the rotor-model assumption, there is no change in the intrinsic deformation or intrinsic spin of the yrast band around the backbend. For the traditional example of 48 Cr, computed in the valence shell with empirical interactions, we confirm a high-spin nucleus that is effectively near-spherical, in agreement with previous models. However, we find that this spherical distribution results, on average, from an almost equal mixing of deformed prolate shapes with deformed oblate shapes. Microscopic calculations confirm the importance of spin alignment and configuration mixing, but surprisingly unveil no anomalous increase in moment of inertia. Furthermore, this finding opens the path toward further understanding the rotational behavior and moment of inertia of medium-mass nuclei.

20 ≤ A ≤ 38↗
DOE OSTI2024

Exploring the impact of high-precision top-quark pair production data on the structure of the proton at the LHC

The impact of recent LHC top-quark pair production single differential cross section measurements at 13 TeV collision energy on the structure of the proton is explored. In particular, the impact of these high-precision data on the gluon and other parton distribution functions (PDFs) of the proton at intermediate and large partonic momentum fraction x is analyzed. This study extends the CT18 global analysis framework to include these new data. The interplay between top-quark pair and inclusive jet production as well as other processes at the LHC, is studied. In addition, a study of the impact of scale choice on the theory description of the new 13 TeV t t ¯ measurements is performed. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Laboratory evolution in Novosphingobium aromaticivorans enables rapid catabolism of a model lignin-derived aromatic dimer

Lignin contains a variety of interunit linkages, leading to a range of potential decomposition products that can be used as carbon and energy sources by microbes. β-O-4 linkages are the most common in native lignin, and associated catabolic pathways have been well characterized. However, the fate of the mono-aromatic intermediates that result from β-O-4 dimer cleavage has not been fully elucidated. Here, we used experimental evolution to identify mutant strains of Novosphingobium aromaticivorans with improved catabolism of a model aromatic dimer containing a β-O-4 linkage, guaiacylglycerol-β-guaiacyl ether (GGE). We identified several parallel causal mutations, including a single nucleotide polymorphism in the promoter of an uncharacterized gene that roughly doubled the growth yield with GGE. We characterized the associated enzyme and demonstrated that it oxidizes an intermediate in GGE catabolism, β-hydroxypropiovanillone, to vanilloyl acetaldehyde. Identification of this enzyme and its key role in GGE catabolism furthers our understanding of catabolic pathways for lignin-derived aromatic compounds.

59 BASIC BIOLOGICAL SCIENCES↗