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NASA NTRS2010

Mars Terrain Generation

A suite of programs for the generation of disparity maps from stereo image pairs via correlation, and conversion of those disparity maps to XYZ maps, has been updated. This suite implements an automated method of deriving terrain from stereo images for use in the ground data system for in-situ (lander and rover) cameras. This differs from onboard correlation by concentrating more on accuracy than speed, since near-real-time is not a requirement on the ground. The final result is an XYZ value for every point in the image that passes several quality checks. A priori geometric camera calibration information is required for this suite to operate. The suite is very flexible, enabling its use in many special situations, such as non-linearized images required for applications like the Phoenix arm camera, or long-baseline stereo, where the rover moves between left and right images.

Deen, Robert G.↗

NASA NTRSDate not supplied

Generative Framework Approach to Match Landsat and Sentinel-2 Data

Linear regression and histogram matching based techniques have been widely used to minimize the surface reflectance difference between two similar satellite observations such as Landsat-8/9 and Sentinel-2A/B products [1]. However, regionally or globally derived conversion factors may not be suitable for all land cover types and locations, resulting in noticeable residual differences between the sensors. Generative Adversarial Network (GAN) has shown promise in the field of image processing for domain or style transfer[2]. In this work we aim to minimize the surface reflectance difference between Landsat and Sentinel-2 products based on GAN.

Sujit Roy↗

NASA NTRSDate not supplied

Designing Experiments for SpinSat, A Novel Variable-Gravity-and-Radiation Platform for Deep-Space Science

Conducting experiments to measure the effects of deep-space radiation and reduced gravity on biological and physical systems remains challenging. The result is a substantial knowledge gap that poses risks to our ability to sustain life and conduct critical operations in deep space. The SpinSat spacecraft platform is designed to bridge such gaps by providing low-cost, reliable, and frequent access to deep space. A disk-shaped rotating satellite that can provide artificial gravity and exposure to space radiation simultaneously, SpinSat is designed to accommodate payloads in a CubeSat form factor (with at least 48 “U” volume), providing power, communications, and a benign thermal environment. It is orbit-agnostic, enabling access to a variety of radiation environments (Van Allen belts, deep space, cis-lunar); and can be equipped with shielding to mimic planetary radiation environments, for both short- and long-term experiments. Because of its versatility and prioritization of late loading for biological payloads, it is well suited to host a wide range of ranging from human tissues and organoids to microorganisms, plants, chemistry, and regolith. Here, we present examples of potential experiment concepts for SpinSat, and discuss the details of how experimental designs could interact with the platform. Potential SpinSat studies have diverse applications, including fundamental radiation biology and DNA repair; cancer biology and countermeasure development; space agriculture; bioproduction of nutrients and pharmaceuticals; understanding regolith dynamics in low gravity; prebiotic chemistry and panspermia. We will further highlight ideas for SpinSat-compatible experimental hardware, existing and in development, and experiment-relevant details on SpinSat capabilities including artificial gravity, potential radiation environments, data, and power. This presentation will aim to provide investigators with the high-level technical information necessary to inspire experiments for SpinSat. We also seek to stimulate conversation and to gain community input on accommodations needs to help guide the evolving design of this platform.

experiment design↗

NASA NTRS2024

A Decade of Salt Marsh Elevation Change in New York City’s Coastal Urban Parks

Coastal salt marshes of the eastern United States are particularly vulnerable to accelerated sea level rise, and urban marshes are at greater risk of erosion, inundation, and conversion to mudflat if left unmanaged. To guide New York City (NYC) salt marsh restoration strategies, NYC Parks collected up to 10 years of salt marsh elevation change data through 2020 at six salt marsh sites using the Surface Elevation Table-Marker Horizon (SET-MH) method, conducted a salt marsh trends analysis to determine shoreline change from 1974 to 2012, and conducted a salt marsh conditions assessment. We found that the citywide average surface elevation trend of 3.31 mm yr −1 was not significantly different from the 30-year (1990–2020) Relative Sea Level Rise of 4.23 mm yr −1 at The Battery, NY, tide station, probably due to high variability across and within sites. We also found that accretion rates differed across sites and watersheds, and sites situated lower in the tidal zone had higher accretion rates. Notably, Jamaica Bay’s Idlewild salt marsh, long suspected of being sediment-starved and ranking lowest in our conditions assessment, had the highest accretion rate at 9.5 mm yr −1 . Our salt marsh trends analysis also showed marsh loss at the shoreline edge, bare ground cover, and other indicators of marsh degradation. In mitigating marsh loss, the design grades for our recent wetland restoration projects enlarge the upper elevation ranges of the low- and high-marsh zones and incorporate wider and more gradual slopes in upland transition zones to enable inland marsh migration.

Salt marsh elevation change↗

DOE OSTI2023

The Postdoc Accord in Theoretical High Energy Physics

We present the results of a survey meant to assess the opinion of the high-energy physics theory (HET) community on the January 7th postdoc acceptance deadline - specifically, whether there is a preference to shift the deadline to later in January or February. This survey, which served for information-gathering purpose only, is part of a community conversation on the optimal timing of an acceptance deadline and whether the community would be better served by a later date. In addition, we present an analysis of data from the postdoc Rumor Mill, which gives a picture of the current hiring landscape in the field. We emphasize the importance of preserving a universal deadline, and the current results of our survey show broad support for a shift to a later date. A link to the survey, frequently asked questions, a running list of supporters, and next steps can be found on our companion web page.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Analytical Modeling of Biomass Transport and Feeding Systems

The processing of biomass solids in a biorefinery consists of pretreatment, enzyme hydrolysis / concurrent fermentation of sugars to ethanol, product recovery, and drying. Sustainable operation requires a front end that transforms wet solids into a pumpable slurry. Otherwise the biorefinery will suffer unscheduled shut-downs and inefficient operation due to solids that obstruct pumps and other equipment and resist mixing in a bioreactor. Downtime in pioneer biorefineries due to interruptions from materials handling problems has been 50% or more, leading to unsustainable manufacturing processes. This work addresses new technology, predictive computational models, and definition of operational conditions that result in formation of slurries of corn stover at up to 300 g/L using low enzyme loadings (1 to 3 FPU cellulase/g) before the biomass (corn stover) enters the pretreatment step. A team of researchers from Purdue University, Idaho National Laboratory (INL), Forest Concepts, AdvanceBio, Argonne National Laboratory, and DOE BETO have combined their knowledge in agricultural and biological engineering, bioprocess engineering, mechanical engineering, chemical engineering, agricultural economics, materials engineering and enzyme and microbial technology to address the challenge of making lignocellulose flow. This team effort has resulted in the development and validation of conditions that employ low levels of commercial enzyme in an agitated bioreactor to which corn stover pellets are added resulting in formation of slurries at high solids loadings, before pretreatment. This approach overcomes challenges caused by handling of dry, particulate biomass materials at the front end of the biorefinery. The subsequent materials handling issues cause obstruction at pumps, pipes and valves. Formation of high loadings slurries with low yield stress, as reported here, significantly decreases the potential for process interruption and enhances plant operability. Key advances in the knowledge of how slurry formation occurs is reported here and in recently published journal papers. We found that pellets are needed to achieve high solids loading, and that commercial enzymes are effective in forming slurries of corn stover particles from pellets that have not been pretreated. Our work has resulted in models that predict solids behavior for formation of compressed solids and pellets that in turn facilitate slurries made of high concentrations of corn stover particles. A computational model was developed that gives mechanistic insights into properties of particles and mixing process that gives the slurry rheology needed to facilitate pumping. Hence, the corn stover may be pumped into a pretreatment reactor in place of auguring in solids against high pressure which is a root cause of interruptions at the front end of a biorefinery. Subsequent mixing in enzyme and microbial bioreactors results in conversion of lignocellulose to sugars in a biorefinery in agitated bioreactors, with flows in and out of the vessels being less likely to be interrupted due to plugging or materials handling problems. The obtained data coupled to process models, techno-economic assessment (TEA) and Life Cycle Analysis (LCA) were used to assess whether this approach is practical. These results are based on a foundation of laboratory characterization and pilot runs. The NREL biochemical sugar model was utilized to carry out techno-economic analysis of enzyme catalyzed liquefaction followed by enzyme hydrolysis. The minimum sugar selling price was between 17.5 and 18.3 ¢/pound or about the same as calculated by the NREL model for dilute acid pretreatment followed by enzyme hydrolysis. Life cycle analysis (LCA) based on Argonne’s Greet Model showed the enzyme catalyzed route had the lowest greenhouse gas emissions of the three combinations studied (i.e., enzyme, enzyme mimetic, and enzyme + mimetic combined). GHG emissions for enzyme-based corn stover liquefaction step, alone, were about 21 g CO 2 -equivalent/kg of liquefied slurry. We believe this approach will further enhance operability of a pioneer biorefinery, and bring large-scale conversion of lignocellulosic biomass to low carbon footprint biofuels closer to implementation.

09 BIOMASS FUELS↗

DOE OSTI2021

Volumetrically Absorbing Thermal Insulator (VATI) for High-temperature Receivers

This project seeks to exploit volumetric absorption of concentrated solar irradiation in a thin, high-temperature, thermally conductive medium. High efficiency thermal conversion is achieved by volumetric absorption of both incoming solar irradiation (short wavelength) and emitted irradiation (long wavelength), demonstrating a volumetrically absorbing thermally insulating (VATI) effect. The thermalized energy is conducted to the back wall, enclosing the working fluid (molten salt or supercritical CO 2 ). Reliance on conductive thermal transport requires a thermally conductive medium, in the absence of which large temperature gradients drive losses due to emission. The project’s outcomes are important to realize a cost-effective approach to reduce optical and thermal losses from CSP receivers at high temperatures (720°C). High-temperature stable and commercially available porous SiC structures (open-cell foams) were explored as a volumetrically absorbing and thermally insulating layer. To the best of our knowledge, the current state-of-the-art for industrially deployed coatings is Pyromark. However, Pyromark suffers degradation at 700+°C and diurnal temperature changes. This necessitates periodic recoating, and the downtime increases the overall levelized cost of energy (LCOE) production. On the other hand, contemporary research activities have generated significant advances in the development of selective emitter coatings, which present challenges with costs, scalability, and stability. The pursued approach alleviates these concerns by developing a receiver that utilizes the inherent structure of high-temperature stable porous materials to enable robust and cost-effective receivers which require no periodic maintenance downtimes. The overall goal of the project is to experimentally demonstrate a figure of merit (FOM) of 0.92 at a temperature of 720°C and solar irradiation of 1000x concentration with porous receivers. The relevant crystallographic (phase) optical and thermal properties of porous SiC were first characterized. Second, the 3-D geometry of the porous SiC was analyzed using micro-X-ray tomography and converted to CAD data using image processing analysis. Utilizing this 3-D geometry and relevant optical/thermal properties, Monte Carlo- Ray Tracing (MCRT) analysis was performed to extract important parameters governing solar-thermal energy conversion such as extinction coefficient (β, 1/m), scattering albedo (ω) and the scattering phase function (Φ). These properties were then integrated into an in-house radiative and conduction transport model to solve for temperature and transport fluxes characterizing the solar-thermal energy conversion. This model was utilized to predict the FOM for various SiC porous geometries and to identify the highest possible FOM. Testing of the optimized porous structures will be accomplished with a custom-built high-accuracy (< ±4%) FOM measurement test-stand and a 1000x solar concentrator. When neglecting convective losses and resistance at the open boundary and the back wall, the optimized SiC foam leads to a FOM of 0.84. This FOM does not surpass the performance of Pyromark 2500. Yet, conversely to Pyromark 2500, SiC is stable at high temperatures and does not degrade over time. Also, it is possible to boost the FOM of SiC by engineering its effective thermal conductivity and its scattering albedo. A FOM of 0.92 is predicted for an optimized foam by accounting for convective losses and resistance at the open boundary and the back wall. This largely exceeds the FOM of Pyromark 2500 (~0.86) predicted by neglecting convective losses and resistance. Therefore, further engineering of the foam could lead to unprecedented FOMs.

14 SOLAR ENERGY↗

DOE OSTI2021

Thermal-Mechanical Elastic-Plastic and Ductile Failure Model Calibrations for 6061-T651 Aluminum Alloy from Plate

Numerical simulations of metallic structures undergoing rapid loading into the plastic range require material models that accurately represent the response. In general, the material response can be seen as having four interrelated parts: the baseline response under slow loading, the effect of strain rate, the conversion of plastic work into heat and the effect of temperature. In essence, the material behaves in a thermal-mechanical manner if the loading is fast enough so when heat is generated by plastic deformation it raises the temperature and therefore influences the mechanical response. In these cases, appropriate models that can capture the aspects listed above are necessary. The matters of interest here are the elastic-plastic response and ductile failure behavior of 6061-T651 aluminum alloy under the conditions described above. The work was accomplished by first designing and conducting a material test program to provide data for the calibration of a modular $J_2$ plasticity model with isotropic hardening as well as a ductile failure model. Both included modules that accounted for temperature and strain rate dependence. The models were coupled with an adiabatic heating module to calculate the temperature rise due to the conversion of plastic work to heat. The test program included uniaxial tension tests conducted at room temperature, 150 and 300 C and at strain rates between 10 –4 and 10 3 1/s as well as four geometries of notched tension specimens and two tests on specimens with shear-dominated deformations. The test data collected allowed the calibration of both the plasticity and the ductile failure models. Most test specimens were extracted from a single piece of plate to maintain consistency. Notched tension tests came from a possibly different plate, but from the same lot. When using the model in structural finite element calculations, element formulations and sizes different from those used to model the test specimens in the calibration are likely to be used. A brief investigation demonstrated that the failure model can be particularly sensitive to the element selection and provided an initial guide to compensate in a specific example.

36 MATERIALS SCIENCE↗

NASA NTRS1997

Experimental Data for Two Different Alternator Configurations in a Solar Brayton Power System

A solar dynamic (SD) space power system has been under test at the NASA Lewis Research Center since 1994. The SD Ground Test Demonstration (GTD) system includes a solar concentrator, heat receiver with thermal energy storage, Brayton power conversion unit, and radiator installed in a thermal-vacuum chamber with a solar simulator. The Brayton unit has been operated with two different turboalternator compressor (TAC) assemblies, one which included a Rice Lundell alternator and another which incorporated a permanent magnet (PM) alternator. The Rice alternator was part of the mini-Brayton rotating unit, designed and built during the 1970's and refurbished for the GTD. The PM TAC was a development unit from the Joint US/Russian SD Flight Project. This paper highlights the operational differences (and similarities) between the Rice and PM TAC configurations including a comparative evaluation of startup characteristics and operating performance. The two alternator configurations were tested under similar thermal conditions, as an interchangeable component within the SD system. The electrical characteristics of the two units, however, dictated the use of significantly different power conditioning and control strategies. The electrical control architectures are described and compared. Test data are presented on TAC startup and system operating performance for both configurations.

Mason, Lee S.↗

NASA NTRS1983

Off-Design Turbine Modeling

Off-design efficiency and flow function obtained from design point input data. Computer program PART improved method of representing turbine component when preforming calculations of off-design-point data to total efficiency over range of pressure ratios and speeds specified by user. PART written in FORTRAN IV.

Converse, G. L.↗

NASA NTRS1988

C 4 fluxes from the sun as a star and the correlation with magnetic flux

A total of 144 C 4 wavelength 1548 SMM-UVSP spectroheliograms of solar plages were analyzed, some of which are series of exposures of the same region on the same day. Also analyzed were C 4 wavelength 1551 rasters of plages and C 4 1548 rasters of the quiet sun. The sample contains data on 17 different plages, observed on 50 different days. The center-to-limb variations of the active regions show that the optical thickness effects in the C 4 wavelength 1548 line can be neglected in the conversion from intensity to flux density. As expected for the nearly optically thin situation, the C 4 1548 line is twice as bright as the C 4 wavelength 1551 line. The average C 4 wavelength 1548 flux density for a quiet is 2700 erg/cm/s and, with surprisingly little scatter, 18,000 erg/cm/s for plages. The intensity histograms of rasters obtained at disk centers can be separated into characteristic plage and quiet-sun contributions with variable relative filling factors. The disk-averaged flux density in the C 4 doublet and the disk-averaged magnitude of the magnetic flux density are related. The relationship between the C 4 and magnetic flux densities for spatially resolved data is inferred to be almost the same, with only an additional factor of order unity in the constant of proportionality.

Schrijver, C. J.↗

NASA NTRS2019

Small Stirling Technology Exploration Power for Future Space Science Missions

High efficiency dynamic Radioisotope Power Systems (RPS) could be mission enabling for low power space applications such as small probes, landers rovers, and communication repeaters. These applications would contain science instruments and be distributed across planetary surfaces or near objects of interest where solar flux is insufficient for using solar cells. Small RPS could be used to provide power for sensing radiation, temperature, pressure, seismic activity, and other measurements of interest to planetary scientists. Small RPS would use fractional versions of the General Purpose Heat Source (GPHS) or Light Weight Radioisotope Heater Units (LWRHU), to heat power conversion technologies. Dynamic power systems are capable of three to four times higher conversion efficiency compared to static power conversion technologies, and would provide an equal amount of power using less fuel or more power using an equal amount of fuel. Providing spacecraft with more power could decrease duty cycling of basic functions and, therefore, increase the quality and abundance of science data. NASA GRC is developing a low power dynamic RPS that would convert heat from multiple LWRHU to one watt of usable direct current electric power for spacecraft instrumentation and communication. The power system could be used to charge batteries or capacitors for higher power burst usage. The initial design, called Small Stirling Technology Exploration Power (smallSTEP), is around 3 kg, 11 cm diameter X 32 cm long, and converts 8 watts of heat to one watt of electricity using a Stirling convertor. This low power conversion system represents a new class of RPS with power levels two orders of magnitude lower than prototypes currently being developed for space applications under NASA contracts. Development of the 1-watt RPS includes maturation of convertor and controller designs, performance evaluation of an evacuated metal foil insulation, and development of system interfaces. Initial demonstration of the subsystems has been completed in a laboratory environment and a higher fidelity system is being pursued for demonstration in relevant environments for use on small spacecraft needed to carry out future space science missions.

Wilson, Scott D.↗

DOE OSTI2024

Analysis of heat transfer and AuNPs-mediated photo-thermal inactivation of E. coli at varying laser powers using single-phase CFD modeling

In the wake of the COVID-19 pandemics, the demand for innovative and effective methods of bacterial inactivation has become a critical area of research, providing the impetus for this study. The purpose of this research is to analyze the AuNPs-mediated photothermal inactivation of E. coli. Gold nanoparticles irradiated by laser represent a promising technique for combating bacterial infection that combines high-tech and scientific progress. The intermediate aim of the work was to present the calibration of the model with respect to the gold nanorods experiment. The purpose of this work is to study the effect of initial concentration of E. coli bacteria, the design of the chamber and the laser power on heat transfer and inactivation of E. coli bacteria. Using the CFD simulation, the work combines three main concepts. 1. The conversion of laser light to heat has been described by a combination of three distinctive approximations: a- Discrete particle integration to take into account every nanoparticle within the system, b- Rayleigh-Drude approximation to determine the scattering and extinction coefficients and c- Lambert–Beer–Bourger law to describe the decrease in laser intensity across the AuNPs. 2. The contribution of the presence of E. coli bacteria to the thermal and fluid-dynamic fields in the microdevice was modeled by single-phase approach by determining the effective thermophysical properties of the water-bacteria mixture. 3. An approach based on a temperature threshold attained at which bacteria will be inactivated, has been used to predict bacterial response to temperature increases. The comparison of the thermal fields and temporal temperature changes obtained by the CFD simulation with those obtained experimentally confirms the accuracy of the light-heat conversion model derived from the aforementioned approximations. The results show a linear relationship between maximum temperature and variation in laser power over the range studied, which is in line with previous experimental results. It was also found that the temperature inside the microchamber can exceed 55 °C only when a laser power higher than 0.8 W is used, so bacterial inactivation begins. The experimental data allows to determinate the concentration of nanoparticles. This parameter is introduced into the mathematical model obtaining the same number of AuNPs. However, this assumption introduces a certain simplification, as in the mathematical model the distribution of nanoparticles is uniform. This work is directly connected to the use of gold nanoparticles for energy conversion, as well as the field of bacterial inactivation in microfluidic systems such as lab-on-a-chip. Presented mathematical and numerical models can be extended to the entire spectrum of wavelengths with particular use of white light in the inactivation of bacteria. This work represents a significant advancement in the field, as to the best of the authors’ knowledge, it is the first to employ a single-phase computational fluid dynamics (CFD) approach specifically combined with the thermal inactivation of bacteria. Moreover, this research pioneers the use of a numerical simulation to analyze the temperature threshold of photothermal inactivation of E. coli mediated by gold nanorods (AuNRs). The integration of these methodologies offers a new perspective on optimizing bacterial inactivation techniques, making this study a valuable contribution to both computational modeling and biomedical applications.

36 MATERIALS SCIENCE↗

NASA NTRS2019

Small Stirling Technology Exploration Power for Future Space Science Missions

High efficiency dynamic Radioisotope Power Systems (RPS) could be mission enabling for low power space applications such as small probes, landers rovers, and communication repeaters. These applications would contain science instruments and be distributed across planetary surfaces or near objects of interest where solar flux is insufficient for using solar cells. Small RPS could be used to provide power for sensing radiation, temperature, pressure, seismic activity, and other measurements of interest to planetary scientists. Small RPS would use fractional versions of the General Purpose Heat Source (GPHS) or Light Weight Radioisotope Heater Units (LWRHU), to heat power conversion technologies. Dynamic power systems are capable of three to four times higher conversion efficiency compared to static power conversion technologies, and would provide an equal amount of power using less fuel or more power using an equal amount of fuel. Providing spacecraft with more power could decrease duty cycling of basic functions and, therefore, increase the quality and abundance of science data. NASA Glenn Research Center (GRC) is developing a low power dynamic RPS that would convert heat from multiple LWRHU to one watt of usable direct current electric power for spacecraft instrumentation and communication. The power system could be used to charge batteries or capacitors for higher power burst usage. The initial design, called Small Stirling Technology Exploration Power (smallSTEP), is around 3 kg, 11 cm diameter X 32 cm long, and converts 8 watts of heat to one watt of electricity using a Stirling convertor. This low power conversion system represents a new class of RPS with power levels two orders of magnitude lower than prototypes currently being developed for space applications under NASA contracts. Development of the 1-watt RPS includes maturation of convertor and controller designs, performance evaluation of an evacuated metal foil insulation, and development of system interfaces. Initial demonstration of the subsystems has been completed in a laboratory environment and a higher fidelity system is being pursued for demonstration in relevant environments for use on small spacecraft needed to carry out future space science missions.

Wilson, Scott↗

DOE OSTI2022

Predation probabilities and functional responses: How piscivorous waterbirds respond to pulses in fish abundance

Abstract How predators respond to changes in prey abundance (i.e., functional responses) is foundational to consumer–resource interactions, predator–prey dynamics, and the stability of predator–prey systems. Predation by piscivorous waterbirds on out‐migrating juvenile steelhead trout ( Oncorhynchus mykiss ) is considered a factor affecting the recovery of multiple Endangered Species Act‐listed steelhead populations in the Columbia River basin. Waterbird functional responses, however, may vary by predator species and location, with important implications to predator management strategies. We used a 13‐year dataset on waterbird abundance across seven breeding colonies (three Caspian tern [ Hydroprogne caspia ], two double‐crested cormorant [ Nannopterum auritum ], and two California and ring‐billed gull [ Larus californicus and Larus delawarensis ] colonies) and steelhead tag‐recovery data (>645,000 tagged and >32,000 recovered steelhead) to quantify weekly predation probabilities and functional responses across waterbird species, colonies, and years. Weekly predation probabilities were highly variable, ranging from 0.01 to 0.30 at tern colonies, 0.01 to 0.20 at cormorant colonies, and 0.03 to 0.13 at gull colonies. Per capita predation probabilities were an order of magnitude higher at inland tern and cormorant colonies relative to estuary colonies of the same species. Terns displayed Type II functional responses across colonies and years, where predation probabilities peaked at low steelhead abundances and declined as steelhead abundance increased (i.e., predator swamping). Cormorants nesting at the large estuary colony (several thousand birds) displayed a Type III functional response, but cormorants nesting at the smaller inland colony (several hundred birds) displayed a Type II response. Consumption probabilities of steelhead by gulls remained consistent across a large range of steelhead availability, suggesting a Type I or a Type III functional response, but a lack of colony abundance data prevented quantifying functional responses. The level of tern predation combined with Type II functional responses indicate possible population‐level impacts that could destabilize small or declining prey populations. Conversely, the apparent Type III functional responses of gulls and estuary nesting cormorants are indicative of prey switching behaviors targeted at periods of high steelhead abundance. Our results illustrate the complexity of predator–prey interactions and the importance of quantifying predator‐ and location‐specific functional responses when predicting the efficacy of management strategies to enhance prey populations.

Hostetter, Nathan J.↗

DOE OSTI2025

Spectroscopy and crystallography define carotenoid oxygenases as a new subclass of mononuclear non-heme Fe II enzymes

Carotenoid cleavage dioxygenases (CCDs) are non-heme Fe II enzymes that catalyze the oxidative cleavage of alkene bonds in carotenoids, stilbenoids, and related compounds. How these enzymes control the reaction of dioxygen (O 2 ) with their alkene substrates is unclear. Here, we apply spectroscopy in conjunction with X-ray crystallography to define the iron coordination geometry of a model CCD, CAO1 (Neurospora crassa carotenoid oxygenase 1), in its resting state and following substrate binding and coordination sphere substitutions. Resting CAO1 exhibits a five-coordinate (5C), square pyramidal Fe II center that undergoes steric distortion toward a trigonal bipyramidal geometry in the presence of piceatannol. Titrations with the O 2 -analog, nitric oxide, show a >100-fold increase in iron–nitric oxide affinity upon substrate binding, defining a crucial role for the substrate in activating the Fe II site for O 2 reactivity. The importance of the 5C Fe II structure for reactivity was probed through mutagenesis of the second-sphere Thr151 residue of CAO1, which occludes ligand binding at the sixth coordination position. A T151G substitution resulted in the conversion of the iron center to a six-coordinate state and a 135-fold reduction in apparent catalytic efficiency toward piceatannol compared with the wildtype enzyme. Substrate complexation resulted in partial six-coordinate to 5C conversion, indicating solvent dissociation from the iron center. Additional substitutions at this site demonstrated a general functional importance of the occluding residue within the CCD superfamily. Taken together, these data suggest an ordered mechanism of CCD catalysis occurring via substrate-promoted solvent replacement by O 2 . CCDs thus represent a new class of mononuclear non-heme Fe II enzymes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Man‐in‐the‐middle attacks and defence in a power system cyber‐physical testbed

Abstract Man‐in‐The‐Middle (MiTM) attacks present numerous threats to a smart grid. In a MiTM attack, an intruder embeds itself within a conversation between two devices to either eavesdrop or impersonate one of the devices, making it appear to be a normal exchange of information. Thus, the intruder can perform false data injection (FDI) and false command injection (FCI) attacks that can compromise power system operations, such as state estimation, economic dispatch, and automatic generation control (AGC). Very few researchers have focused on MiTM methods that are difficult to detect within a smart grid. To address this, we are designing and implementing multi‐stage MiTM intrusions in an emulation‐based cyber‐physical power system testbed against a large‐scale synthetic grid model to demonstrate how such attacks can cause physical contingencies such as misguided operation and false measurements. MiTM intrusions create FCI, FDI, and replay attacks in this synthetic power grid. This work enables stakeholders to defend against these stealthy attacks, and we present detection mechanisms that are developed using multiple alerts from intrusion detection systems and network monitoring tools. Our contribution will enable other smart grid security researchers and industry to develop further detection mechanisms for inconspicuous MiTM attacks.

Wlazlo, Patrick↗

DOE OSTI2024

The crystal structure of bacteriophage λ RexA provides novel insights into the DNA binding properties of Rex-like phage exclusion proteins

Abstract RexA and RexB function as an exclusion system that prevents bacteriophage T4rII mutants from growing on Escherichia coli λ phage lysogens. Recent data established that RexA is a non-specific DNA binding protein that can act independently of RexB to bias the λ bistable switch toward the lytic state, preventing conversion back to lysogeny. The molecular interactions underlying these activities are unknown, owing in part to a dearth of structural information. Here, we present the 2.05-Å crystal structure of the λ RexA dimer, which reveals a two-domain architecture with unexpected structural homology to the recombination-associated protein RdgC. Modelling suggests that our structure adopts a closed conformation and would require significant domain rearrangements to facilitate DNA binding. Mutagenesis coupled with electromobility shift assays, limited proteolysis, and double electron–electron spin resonance spectroscopy support a DNA-dependent conformational change. In vivo phenotypes of RexA mutants suggest that DNA binding is not a strict requirement for phage exclusion but may directly contribute to modulation of the bistable switch. We further demonstrate that RexA homologs from other temperate phages also dimerize and bind DNA in vitro. Collectively, these findings advance our mechanistic understanding of Rex functions and provide new evolutionary insights into different aspects of phage biology.

Biochemistry & Molecular Biology↗