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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Developing Fluorescence-Based Sensors to Support Rare Earth Element Separation

Rare earth elements (REEs) are essential to most renewable energy technologies. Unfortunately, as we transition to sustainable energy production, the demand for REEs is rapidly growing well beyond current rates of production. As a result, novel means of efficient, scalable, and easily adaptable methods for processing primary and recycle feedstocks are needed. Development and integration of sensors for highly selective in-line monitoring can support more efficient design and testing of such novel separation processes, as well as more cost-effective deployment of those separation flowsheets. Work here will explore the application of fluorescence spectroscopy, a highly sensitive and selective technique, to quantify multiple lanthanides in complex mixtures including known interferents or quenching agents. Results include identification of the optimal excitation wavelength and the limit of detection of various rare earth elements as well as the performance of data-science-based quantification approaches in streams where “unknowns” are present. Overall, the data science tools in conjunction with optical sensor data were able to quantify analytes in the presence of other lanthanides which can be anticipated in the actual industrial stream. Here we include characterization of lanthanides in a microfluidic device similar to those used in new process development. This study demonstrates the capability of utilizing fluorescence spectroscopy to quantify analytes in a complicated solution matrix, suggesting this is a successful approach for in-line monitoring to optimize the separation efficiency in an industrial stream.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Cyanobacterial Biofertilizer Production by Guanidine-Producing Enzymes

Cyanobacterial production of a biofertilizer shows promise as an environmentally benign alternative to conventional nitrogen fertilizers, reducing environmental and energy burdens through light-driven nitrogen and carbon fixation. One route to realizing the potential for a nitrogen-rich, slow-releasing biofertilizer involves the genetic engineering of cyanobacteria to produce guanidine. Recent advances have demonstrated enzymatic guanidine production in cyanobacteria, but an understanding of cyanobacterial guanidine metabolism is still limited. This Perspective highlights strategies and opportunities for cyanobacterial guanidine production in a Design−Build−Test−Learn cycle. Exploring new guanidine-producing enzymes via phylogenetics could expand candidate enzymes, while understanding the metabolism of substrates can identify constraints and opportunities in substrate utilization. Additionally, guanidine sensing and export are crucial areas of study to enable continuous fertilizer production and stable nitrogen flux. These strategies will guide the development of advanced nitrogen biofertilizer strategies for the agricultural sector.

09 BIOMASS FUELS↗
DOE OSTI2025

Abstraction hierarchy to define biofoundry workflows and operations for interoperable synthetic biology research and applications

Lack of standardization in biofoundries limits the scalability and efficiency of synthetic biology research. Here, we propose an abstraction hierarchy that organizes biofoundry activities into four interoperable levels: Project, Service/Capability, Workflow, and Unit Operation, effectively streamlining the Design‑Build‑Test‑Learn (DBTL) cycle. This framework enables more modular, flexible, and automated experimental workflows. It improves communication between researchers and systems, supports reproducibility, and facilitates better integration of software tools and artificial intelligence. Our approach lays the foundation for a globally interoperable biofoundry network, advancing collaborative synthetic biology and accelerating innovation in response to scientific and societal challenges.

Kim, Haseong↗
DOE OSTI2020

In vitro prototyping and rapid optimization of biosynthetic enzymes for cell design

The design and optimization of biosynthetic pathways for industrially relevant, non-model organisms is challenging due to transformation idiosyncrasies, reduced numbers of validated genetic parts and a lack of high-throughput workflows. Here we describe a platform for in vitro prototyping and rapid optimization of biosynthetic enzymes (iPROBE) to accelerate this process. In iPROBE, cell lysates are enriched with biosynthetic enzymes by cell-free protein synthesis and then metabolic pathways are assembled in a mix-and-match fashion to assess pathway performance. We demonstrate iPROBE by screening 54 different cell-free pathways for 3-hydroxybutyrate production and optimizing a six-step butanol pathway across 205 permutations using data-driven design. Observing a strong correlation (r = 0.79) between cell-free and cellular performance, we then scaled up our highest-performing pathway, which improved in vivo 3-HB production in Clostridium by 20-fold to 14.63 ± 0.48 g l -1 . Finally, we expect iPROBE to accelerate design–build–test cycles for industrial biotechnology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unlocking soybean meal pectin recalcitrance using a multi-enzyme cocktail approach

Pectin is a complex plant heteropolysaccharide whose structure and function differ depending on its source. In animal feed, breaking down pectin is essential, as its presence increases feed viscosity and reduces nutrient absorption. Soybean meal, a protein-rich poultry feed ingredient, contains significant amounts of pectin, the structure of which remains unclear. Consequently, the enzyme activities required to degrade soybean meal pectin and how they interact are still open questions. In this study, we produced 15 recombinant fungal carbohydrate-active enzymes (CAZymes) identified from fungal secretomes acting on pectin. After observing that these enzymes were not active on soybean meal pectin when used alone, we developed a semi-miniaturized method to evaluate their effect as multi-activity cocktails. We designed and tested 12 enzyme pools, containing up to 15 different CAZymes, using several hydrolysis markers. Thanks to our multiactivity enzymatic approach combined with a Pearson correlation matrix, we identified 10 fungal CAZymes efficient on soybean meal pectin, 9 of which originate from Talaromyces versatilis. Based on enzyme specificity and linkage analysis, we propose a structural model for soybean meal pectin. Our findings underscore the importance of combining CAZymes to improve the degradation of agricultural co-products.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Machine learning-led semi-automated medium optimization reveals salt as key for flaviolin production in Pseudomonas putida

Although synthetic biology can produce valuable chemicals in a renewable manner, its progress is still hindered by a lack of predictive capabilities. Media optimization is a critical, and often overlooked, process which is essential to obtain the titers, rates and yields needed for commercial viability. Here, we present a molecule- and host-agnostic active learning process for media optimization that is enabled by a fast and highly repeatable semi-automated pipeline. Its application yielded 60% and 70% increases in titer, and 350% increase in process yield in three different campaigns for flaviolin production in Pseudomonas putida KT2440. Explainable Artificial Intelligence techniques pinpointed that, surprisingly, common salt (NaCl) is the most important component influencing production. The optimal salt concentration is very high, comparable to seawater and close to the limits that P. putida can tolerate. The availability of fast Design-Build-Test-Learn (DBTL) cycles allowed us to show that performance improvements for active learning are rarely monotonous. This work illustrates how machine learning and automation can change the paradigm of current synthetic biology research to make it more effective and informative, and suggests a cost-effective and underexploited strategy to facilitate the high titers, rates and yields essential for commercial viability.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations

The specificity of aqueous halide solvation is fundamental to a wide range of bulk and interfacial phenomena spanning from biology to materials science. Halide polarizability is thought to drive the ion specificity, and if so, it is essential to have an accurate description of the electronic properties of halide ions in water. To this end, the solvation of the chloride anion, Cl - has been reinvestigated with state-of-the-art density functional theory. Specifically, the PBE-D3, PBE0-D3, and SCAN functionals have been employed to probe the impact of correlation and exchange approximations. Anticipating the findings, adding exact exchange improves the electronic structure, but simultaneously significantly reduces the Cl - polarizability, resulting in an over-structured Cl–O radial distribution function (RDF) and longer water H-bond lifetimes to Cl - . SCAN does not yield as much improvement in the energetics of Cl - relative to bulk water, but does result in a smaller reduction of the polarizability and thus a less structured Cl–O RDF, which agrees better with experiment. Special consideration is therefore warranted in assessing the impact of exchange on the energy, charge density, and the charge density response when designing and testing hybrid functionals for aqueous halide solvation.

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

Engineering modular enzyme assembly: synthetic interface strategies for natural products biosynthesis applications

Covering: 2020 to 2025Natural products remain indispensable sources of therapeutic and bioactive compounds, yet traditional discovery strategies are constrained by compound rediscovery. Modular biosynthetic enzymes, such as type I polyketide synthases (PKSs) and type A non-ribosomal peptide synthetases (NRPSs), offer promising platforms for combinatorial biosynthesis owing to their programmable architectures. However, practical implementation is frequently limited by inter-modular incompatibility and domain-specific interactions. This review highlights recent advances in modular enzyme assembly enabled by synthetic interfaces-including cognate docking domains, synthetic coiled-coils, SpyTag/SpyCatcher, and split inteins-which function as orthogonal, standardized connectors to facilitate post-translational complex formation. These interfaces support rational investigations into substrate specificity, module compatibility, and pathway derivatization as well as general enzyme clustering applications beyond PKS and NRPS systems. Synthetic interfaces can be integrated with computational tools to support a more systematic and scalable framework for modular enzyme engineering by providing predictive insights into domain compatibility and interface design. These approaches within iterative design-build-test-learn workflows can accelerate the programmable assembly of biosynthetic systems and expand the accessible chemical space for natural products.

Kim, Gahyeon↗
DOE OSTI2020

Recent evolutions in the LTDP CDF project

In the latest years, CNAF (the national center of the Italian Institute for Nuclear Physics INFN dedicated to Research and Development on Information and Communication Technologies) has been working on the Long Term Data Preservation (LTDP) project for the CDF experiment, active at Fermilab from 1990 to 2011. The main aims of the project are to protect the most relevant part of the CDF RUN-2 data collected between 2001 and 2011 and already stored on tape at CNAF (4 PB), as well as to ensure the availability and the access to the analysis facility to those data over time. Lately, the CDF database, hosting information about CDF datasets such as their structure, file locations and metadata, has been imported from Fermilab to CNAF. Also, the Sequential Access via Metadata (SAM) station data handling tool for CDF data management, that allows to manage data transfers and to retrieve information from the CDF database, has been properly installed and configured at CNAF. This was a fundamental step in the perspective of a complete decommissioning of CDF services on Fermilab side. An access system has been designed and tested to submit CDF analysis jobs, using CDF software distributed via CERN Virtual Machine File System (CVMFS) and requesting delivery of CDF files stored on CNAF tapes, as well as data present only on Fermilab storage archive. Moreover, the availability and the correctness of all CDF data stored on CNAF tapes has been verified. This paper describes all these recent evolutions in detail, presenting the future plans for the LTDP project at CNAF.

Fornari, Federico↗
DOE OSTI2020

MPACT Verification With Magnox Reactor Neutronics Progression Problems

MPACT is a state-of-the-art core simulator designed to perform high-fidelity analysis using whole-core, three-dimensional, pin-resolved neutron transport calculations on modern parallel computing hardware. MPACT was originally developed to model light water reactors, and its capabilities are being extended to simulate gas-cooled, graphite-moderated cores such as Magnox reactors. To verify MPACT’s performance in this new application, the code is being formally benchmarked using representative problems. Progression problems are a series of example models that increase in complexity designed to test a code’s performance. The progression problems include both beginning-of-cycle and depletion calculations. Reference solutions for each progression problem have been generated using Serpent 2, a continuous-energy Monte Carlo reactor physics burnup calculation code.Using the neutron multiplication eigenvalue ke as a metric, MPACT’s performance is assessed on each of the progression problems. Initial results showed that MPACT’s multi-group cross section libraries, originally developed for pressurized water reactor problems, were not sufficient to accurately solve Magnox problems. MPACT’s improved performance on the progression problems is demonstrated using this new optimized cross section library.

Luciano, Nicholas↗
DOE OSTI2020

Quasilinear modeling of heat flux from microtearing turbulence

Microtearing (MT) turbulence affects plasma confinement and profile evolution in many different magnetic-confinement scenarios, ranging from tokamak core plasmas to the H-mode pedestal and from spherical tokamaks to reversed-field pinches. Thus, an urgent need exists to design and test reduced models of MT turbulence and transport. Here, a heuristic quasilinear model is composed and verified by comparing its predictions against nonlinear MT simulations. It is found to yield good predictions of magnetic flutter transport as key parameters are varied: the collision frequency, the electron temperature gradient, and the normalized plasma pressure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set

We have used diffusion Monte Carlo (DMC) to perform calculations on the L7 benchmark set. DMC is a stochastic numerical integration scheme in real-space and part of a larger set of quantum Monte Carlo methods. The L7 set was designed to test the ability of electronic structure methods to include dispersive interactions. While the agreement between DMC and quantum-chemical state-of-the-art methods is excellent for some of the structures, there are significant differences in others. In contrast to wavefunction-based quantum chemical methods, DMC is a first-principle many-body method with the many-body wavefunction evolving in real space. It includes explicitly all electron–electron interactions and is relatively insensitive to the size of the basis set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A time-resolved imaging system for the diagnosis of x-ray self-emission in high energy density physics experiments

A diagnostic capable of recording spatially and temporally resolved x-ray self-emission data was developed to characterize experiments on the MAGPIE pulsed-power generator. The diagnostic used two separate imaging systems: a pinhole imaging system with two-dimensional spatial resolution and a slit imaging system with one-dimensional spatial resolution. The two-dimensional imaging system imaged light onto the image plate. The one-dimensional imaging system imaged light onto the same piece of image plate and a linear array of silicon photodiodes. This design allowed the cross-comparison of different images, allowing a picture of the spatial and temporal distribution of x-ray self-emission to be established. The design was tested in a series of pulsed-power-driven magnetic-reconnection experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Generation of nanosecond THz pulses using a high gain ring resonator with a semiconductor switch

A 250 GHz quasi-optical ring resonator consisting of an input coupler and three mirrors has been designed and tested. A low-loss silicon wafer in the ring provides output coupling of the stored power when irradiated by a pulse from a 532 nm laser. The ring created 5.8 ns, 268 mW output power pulses when excited by a 17 mW, 250 GHz continuously operating input source, achieving a power gain of 16. In a fully tuned ring, higher gain is achievable. If the ring was used with a pulsed input source having a pulse length of several times the fill time, the ring could be used as an efficient pulse compressor with similar high gain. The resonator has a wide range of applications, including, at low power, spectroscopy and, at high power, testing of accelerator structures and materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Toward a glycyl radical enzyme containing synthetic bacterial microcompartment to produce pyruvate from formate and acetate

Formate has great potential to function as a feedstock for biorefineries because it can be sustainably produced by a variety of processes that don’t compete with agricultural production. However, naturally formatotrophic organisms are unsuitable for large-scale cultivation, difficult to engineer, or have inefficient native formate assimilation pathways. Thus, metabolic engineering needs to be developed for model industrial organisms to enable efficient formatotrophic growth. Here, we build a prototype synthetic formate utilizing bacterial microcompartment (sFUT) encapsulating the oxygen-sensitive glycyl radical enzyme pyruvate formate lyase and a phosphate acyltransferase to convert formate and acetyl-phosphate into the central biosynthetic intermediate pyruvate. This metabolic module offers a defined environment with a private cofactor coenzyme A that can cycle efficiently between the encapsulated enzymes. To facilitate initial design-build-test-refine cycles to construct an active metabolic core, we used a “wiffleball” architecture, defined as an icosahedral bacterial microcompartment (BMC) shell with unoccupied pentameric vertices to freely permit substrate and product exchange. The resulting sFUT prototype wiffleball is an active multi enzyme synthetic BMC functioning as platform technology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A 100-Mrad (Si) JFET-based Sensing and Communications System for Extreme Nuclear Instrumentation Environments

Dry cask storage is one of two storage methods approved by the U.S. Nuclear Regulatory Commission for spent fuel after removal from reactor cores. Dry casks consist of a stainless steel canister enclosed in a concrete overpack to contain the hazardous radioactive spent fuel rods and provide radiation shielding. Monitoring spent fuel storage casks is desired to ensure the safe containment of the enclosed spent fuel, but is very difficult due to the related harsh temperature and radiation environment. The sensors and associated electronics to monitor temperature, pressure, and/or radiation need to survive high temperatures and radiation doses for extended time periods. For this reason, there is a severe need for radiation-hardened electrical systems that survive well beyond the existing capabilities of commercially available radiation-rated electronic components, which have primarily been developed for space applications. Junction-gate field-effect transistor (JFET) devices are inherently radiation hardened [exceeding 100 Mrad (Si)]. Additionally, when JFETs are used as building blocks for sensing and communication electronics (i.e., oscillators, amplifiers, filters, and mixers), inherently radiation-hardened circuits can be achieved. To this end, JFET-based radiation-hardened electronics interfacing with cask-embedded sensors capable of driving modulated sensor signals through a stainless steel barrier were designed and tested at a dose rate of approximately 500 krad/h (Si) to beyond a 200-Mrad (Si) total ionizing dose. After 200 Mrad (Si), the sensor and communication circuit signals were correctly decoded at the receiver despite oscillator drift. The results from this experiment demonstrate the potential for creating more complex radiation-hardened JFET-based electrical systems for nuclear environments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

MiniCarb: a passive, occultation-viewing, 6U CubeSat for observations of CO 2 , CH 4 , and H 2 O

In this report we present the final design, environmental testing, and launch history of MiniCarb, a 6U CubeSat developed through a partnership between NASA Goddard Space Flight Center and Lawrence Livermore National Laboratory. MiniCarb’s science payload, developed at Goddard, was an occultation-viewing, passive laser heterodyne radiometer for observing methane, carbon dioxide, and water vapor in Earth’s atmosphere at ~1.6 µm s -1 . MiniCarb’s satellite, developed at Livermore, implemented their CubeSat Next Generation Bus plug-and-play architecture to produce a modular platform that could be tailored to a range of science payloads. Following the launch on 5 December 2019, MiniCarb traveled to the International Space Station and was set into orbit on 1 February 2020 via Northrop Grumman’s Cygnus capsule which deployed MiniCarb with tipoff rotation of about 20° s (significantly higher than the typical rate of 3° s -1 from prior CubeSats), from which the attitude control system was unable to recover resulting in a loss of power. In spite of this early failure, MiniCarb had many successes including rigorous environmental testing, successful deployment of its solar panels, and a successful test of the radio and communication through the Iridium network. This prior work and enticing cost (approximately $\$2$ M for the satellite and $\$$250 K for the payload) makes MiniCarb an ideal candidate for a low-cost and rapid rebuild as a single orbiter or constellation to globally observe key greenhouse gases.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

21 cm Power Spectrum Analysis of North Celestial Pole Observations with the Tianlai Dish Pathfinder Array

The Tianlai Dish Pathfinder Array (TDPA) is a radio interferometer designed to test techniques for 21 cm intensity mapping in the post-reionization Universe as a means of measuring large-scale cosmic structure. Using nine nights of observations targeting the North Celestial Pole field, totaling approximately 107 hr of integration time, we analyze data in the frequency range 700–800 MHz (corresponding to redshift z ∼ 0.9). We do the data format conversion, radio frequency interference flagging, calibration, imaging and point source subtraction, and foreground removal via Singular Value Decomposition. The spherically averaged power spectrum Δ 2 (k) is obtained. Furthermore, this work successfully establishes and validates a comprehensive data analysis framework for the TDPA. We identify key improvements including sky model refinement, increased integration time, and pipeline optimization that will enable future detection of the 21 cm signal through auto-correlation and cross-correlation with optical galaxy surveys.

cosmology: large-scale structure of universe↗