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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Data for L-Malic Acid Production from Xylose by Engineered Saccharomyces cerevisiae

L-malic acid is widely used in the food, chemical, and pharmaceutical industries. Here, we report on production of malic acid from xylose, the second most abundant sugar in lignocellulosic hydrolysates, by engineered Saccharomyces cerevisiae . To enable malic acid production in a xylose-assimilating S. cerevisiae , we overexpressed PYC1 and PYC2, coding for pyruvate carboxylases, a truncated MDH3 coding for malate dehydrogenase, and SpMAE1, coding for a Schizosaccharomyces pombe malate transporter. Additionally, both the ethanol- and glycerol-producing pathways were blocked to enhance malic acid production. The resulting strain produced malic acid from both glucose and xylose, but it produced much higher titers of malic acid from xylose than glucose. Interestingly, the engineered strain had higher malic acid yield from lower concentrations (10 g L‒1) of xylose, with no ethanol production, than from higher xylose concentrations (20 and 40 g L‒1). As such, a fed-batch culture maintaining xylose concentrations at low levels was conducted and 61.2 g L‒1 of malic acid was produced, with a productivity of 0.32 g L‒1 h. These results represent successful engineering of S. cerevisiae for the production of malic acid from xylose, confirming that that xylose offers the efficient production of various biofuels and chemicals by engineered S. cerevisiae .

Conversion↗
DOE OSTI2020

Design of a Biomass Scale Cubical Triaxial Tester

The bioenergy industry is dependent on predictable and reliable feedstock handling equipment. High profile failures in the industry demonstrate the need for better modeling tools for feedstock handling, specifically tools which can model the bulk flow of biomass feedstock materials in handling equipment such as hoppers or screw conveyors. Measurement of bulk material flow characteristics is a critical component to inform modeling tools. Following examples in the soils and pharmaceuticals industries, a Cubical Triaxial Tester (CTT) was selected as a critical component to study relationships between applied stress on a bulk sample and the resulting strain on the bulk material. In cooperation with The Pennsylvania State University, Forest Concepts designed a CTT specifically to measure bulk biomass flowability characteristics. Several mechanical design constraints were identified to ensure proper scaling and repeatability. Major design constraints included sample chamber size versus particle length, volumetric strain sensing accuracy, independent axial pressure control, and sample chamber handling. This report explains how major design constraints were determined.

09 BIOMASS FUELS↗
DOE OSTI2025

High-speed fiber-coupled terahertz time-domain spectroscopy system using a bias-free plasmonic source

We demonstrate a high-speed fiber-coupled terahertz time-domain spectroscopy (THz-TDS) system using a bias-free plasmonic terahertz source. The system is powered by a compact, low-power femtosecond fiber laser oscillator that drives a dual-branch fiber amplifier to pump and probe a plasmonic terahertz source and detector, respectively. A polarization-maintaining, fiber-coupled optical delay line is employed to precisely control the temporal offset between the pump and probe beams through a compact, robust platform. Operating in the self-similar amplification regime, the fiber amplifiers are engineered to mitigate nonlinear pulse distortion and dispersion while delivering robust, high-energy pulses at a 1560-nm wavelength, with an output power exceeding 326 mW. In reflection mode, the THz-TDS system achieves a peak dynamic range of 81 dB and a bandwidth greater than 3.5 THz at a scan rate of 3.75 Hz. The utility of the system for rapid sensing is further demonstrated by quantifying the porosity and density of pharmaceutical tablets through measurements of their physical thickness and effective refractive index.

Jiang, Xinghe [University of California, Los Angel↗
DOE OSTI2023

Quantification of early nonpharmaceutical interventions aimed at slowing transmission of Coronavirus Disease 2019 in the Navajo Nation and surrounding states (Arizona, Colorado, New Mexico, and Utah)

During an early period of the Coronavirus Disease 2019 (COVID-19) pandemic, the Navajo Nation, much like New York City, experienced a relatively high rate of disease transmission. Yet, between January and October 2020, it experienced only a single period of growth in new COVID-19 cases, which ended when cases peaked in May 2020. The daily number of new cases slowly decayed in the summer of 2020 until late September 2020. In contrast, the surrounding states of Arizona, Colorado, New Mexico, and Utah all experienced at least two periods of growth in the same time frame, with second surges beginning in late May to early June. Here, we investigated these differences in disease transmission dynamics with the objective of quantifying the contributions of non-pharmaceutical interventions (NPIs) (e.g., behaviors that limit disease transmission). We considered a compartmental model accounting for distinct periods of NPIs to analyze the epidemic in each of the five regions. We used Bayesian inference to estimate region-specific model parameters from regional surveillance data (daily reports of new COVID-19 cases) and to quantify uncertainty in parameter estimates and model predictions. Our results suggest that NPIs in the Navajo Nation were sustained over the period of interest, whereas in the surrounding states, NPIs were relaxed, which allowed for subsequent surges in cases. Our region-specific model parameterizations allow us to quantify the impacts of NPIs on disease incidence in the regions of interest.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Evaluating kratom alkaloids using PHASE

Kratom is a botanical substance that is marketed and promoted in the US for pharmaceutical opioid indications despite having no US Food and Drug Administration approved uses. Kratom contains over forty alkaloids including two partial agonists at the mu opioid receptor, mitragynine and 7-hydroxymitragynine, that have been subjected to the FDA’s scientific and medical evaluation. However, pharmacological and toxicological data for the remaining alkaloids are limited. Therefore, we applied the Public Health Assessment via Structural Evaluation (PHASE) protocol to generate in silico binding profiles for 25 kratom alkaloids to facilitate the risk evaluation of kratom. PHASE demonstrates that kratom alkaloids share structural features with controlled opioids, indicates that several alkaloids bind to the opioid, adrenergic, and serotonin receptors, and suggests that mitragynine and 7-hydroxymitragynine are the strongest binders at the mu opioid receptor. Subsequently, the in silico binding profiles of a subset of the alkaloids were experimentally verified at the opioid, adrenergic, and serotonin receptors using radioligand binding assays. The verified binding profiles demonstrate the ability of PHASE to identify potential safety signals and provide a tool for prioritizing experimental evaluation of high-risk compounds.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

COVID-19 Evidence Accelerator: A parallel analysis to describe the use of Hydroxychloroquine with or without Azithromycin among hospitalized COVID-19 patients

Background: The COVID-19 pandemic remains a significant global threat. However, despite urgent need, there remains uncertainty surrounding best practices for pharmaceutical interventions to treat COVID-19. In particular, conflicting evidence has emerged surrounding the use of hydroxychloroquine and azithromycin, alone or in combination, for COVID-19. The COVID-19 Evidence Accelerator convened by the Reagan-Udall Foundation for the FDA, in collaboration with Friends of Cancer Research, assembled experts from the health systems research, regulatory science, data science, and epidemiology to participate in a large parallel analysis of different data sets to further explore the effectiveness of these treatments. Methods: Electronic health record (EHR) and claims data were extracted from seven separate databases. Parallel analyses were undertaken on data extracted from each source. Each analysis examined time to mortality in hospitalized patients treated with hydroxychloroquine, azithromycin, and the two in combination as compared to patients not treated with either drug. Cox proportional hazards models were used, and propensity score methods were undertaken to adjust for confounding. Frequencies of adverse events in each treatment group were also examined. Results: Neither hydroxychloroquine nor azithromycin, alone or in combination, were significantly associated with time to mortality among hospitalized COVID-19 patients. No treatment groups appeared to have an elevated risk of adverse events. Conclusion: Administration of hydroxychloroquine, azithromycin, and their combination appeared to have no effect on time to mortality in hospitalized COVID-19 patients. Continued research is needed to clarify best practices surrounding treatment of COVID-19.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

High-throughput screening of the ReFRAME, Pandemic Box, and COVID Box drug repurposing libraries against SARS-CoV-2 nsp15 endoribonuclease to identify small-molecule inhibitors of viral activity

SARS-CoV-2 has caused a global pandemic, and has taken over 1.7 million lives as of mid-December, 2020. Although great progress has been made in the development of effective countermeasures, with several pharmaceutical companies approved or poised to deliver vaccines to market, there is still an unmet need of essential antiviral drugs with therapeutic impact for the treatment of moderate-to-severe COVID-19. Towards this goal, a high-throughput assay was used to screen SARS-CoV-2 nsp15 uracil-dependent endonuclease (endoU) function against 13 thousand compounds from drug and lead repurposing compound libraries. While over 80% of initial hit compounds were pan-assay inhibitory compounds, three hits were confirmed as nsp15 endoU inhibitors in the 1–20 μM range in vitro. Furthermore, Exebryl-1, a ß-amyloid anti-aggregation molecule for Alzheimer’s therapy, was shown to have antiviral activity between 10 to 66 μM, in Vero 76, Caco-2, and Calu-3 cells. Although the inhibitory concentrations determined for Exebryl-1 exceed those recommended for therapeutic intervention, our findings show great promise for further optimization of Exebryl-1 as an nsp15 endoU inhibitor and as a SARS-CoV-2 antiviral.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

In situ potassium and hydrogen ion exchange into a cubic zirconium silicate microporous material

The selective separation of ions from aqueous systems, and even in the human body, is a crucial to overall environmental management and health. Nanoporous materials are widely known for their selective removal of cations from aqueous media, and therefore have been targeted for use as a pharmaceutical to treat hyperkalemia. This study investigated the detailed crystallographic molecular mechanisms that control the potassium ion selectivity in the nanoporous cubic zirconium silicate (CZS) related materials. Using time-resolved in situ Raman spectroscopy and time-resolved in situ X-ray diffraction, the selectivity mechanisms were determined to involve a synchronous cation-cation repulsion process that serves to open a favorable coordination bonding environment for potassium, not unlike the ion selectivity filter process found in potassium ion channels in proteins. Enhancement of ion exchange was observed when the CZS material was in a partial protonated state (≈3:1 Na:H), causing an expansion of the unit-cell volume, enlargement of the 7 member-ring window, and distortion of framework polyhedra, which allowed increased accessibility to the cage structures and resulted in rapid irreversible potassium ion exchange.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Growing field of materials informatics: databases and artificial intelligence

The paradigm of molecular discovery in the chemical and pharmaceutical industry has followed a repetitive succession of screening and synthesis, involving the analysis of individual molecules that were both natural and produced. This ability to generate and screen libraries of compounds has found an echo in solid-state physics with the demand to explore and produce new materials for testing. In response to this demand, a golden age of materials discovery is being developed, with progress on important areas of both basic science and device applications. The confluence of theoretical and simulation methods, together with the availability of computation resources, has established the “materials genome” approach that is used by a growing number of research groups around the world with the goal of innovating on materials through systematic discovery. Here, an overview of this group of methodologies in tackling the ever-increasing complexity of computational materials science simulations is provided. Computational simulation is highlighted as a major component of rational design and synthesis of new materials with targeted properties, describing progress on databases and large data treatment. Tools for new materials discovery, including progress on the deployment of new data repositories, the implementation of high-throughput simulation approaches, and the development of artificial intelligence algorithms, are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Novel Low-Cost Method of Manufacturing Nb3Sn Superconductors with Multiple-Tin-Tube Sources (CRADA FRA-2008-0001 Final Report)

In order to successfully sustain a fusion reaction, peak magnetic fields on the order of 12-13 Tesla will be required. Magnetic fields of this magnitude can only be accomplished by advanced superconductors such as Nb3Sn. However, the economic success of a fusion machine will depend on further improvements in the cost-performance of the Nb3Sn conductor. This project will develop a novel, low-cost, multiple-tin-tube process as a new manufacturing approach for large-scale Nb3Sn-conductor production. The process will be suitable for the efficient production of larger strands (0.83 mm), consistent with ITER (International Thermonuclear Experimental Reactor) specifications. In Phase I, Cu/Nb composites were manufactured and shaped into sub-elements. These sub-elements were tin-coated by electroplating, assembled into a precise-fit restack billet tube, and drawn to 0.83 mm diameter. In Phase II, the process will be scaled-up to full production levels. The improved Nb3Sn conductor should have an immediate benefit for high-field magnet applications. A prototype fusion machine, based on a cost effective Nb3Sn conductor, would have enormous economic and social benefits. In addition, the conductor should be applicable to nuclear magnetic resonance (NMR), which has requirements for use in chemical research, biochemistry, pharmaceutical chemistry, polymer science, petroleum research, agricultural chemistry, and medicine. Leszek Motowidlo, Principal Investigator, will be responsible for the overall coordination of the effort. He and others of SupraMagnetics staff will design and fabricate protoype PIT Nb3Sn conductors for evaluation at Fermilab. Emanuela Barzi will be responsible for the Fermilab subcontract and will coordinate and supervise critical current testing Nb3Sn strands and cable fabrication and evaluation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Smart Microbial Cell Technology: A high-throughput platform to optimize biocatalysts

Los Alamos National Laboratory developed an ultra-high-throughput screening platform to engineer custom biocatalysts that enhance the rate of chemical reactions critical in pharmaceuticals, renewable energy, and environmental cleanup. Current methods to find biocatalysts are slow. This platform scans genetic variations to optimize a single enzyme or microbial cell to generate a product efficiently. It selects rare mutations needed for biocatalyst optimization orders of magnitude faster than current screening methods. A custom sensor reporter gene circuit causes cells to fluoresce when they are making the target product. When coupled to flow cytometry, a million biocatalyst variants can be screened in hours.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Discrete Element Method Analysis for Metal Powders Used in Additive Manufacturing, and DEM Simulation Tutorial Using LIGGGHTS-PUBLIC [PowerPoint and paper]

Discrete Element Method (DEM) is a method of analysis to evaluate the dynamic interactions between granular particles. This method has been used in the pharmaceutical industry to improve the powder compaction process for tablet manufacturing. There are also applications in agriculture, food industry, and manufacturing. Direct energy deposition is an additive manufacturing technique which uses metallic powders fed through a nozzle, melted using a directed laser, and transformed into a solid object layer by layer. One way of feeding metal particles into the system involves the use of a vibrating hopper. Given a specified amplitude and frequency input, the hopper will enable the powder to travel up a path, and inject through the system with assistance from a stream of gas. The mechanical properties of a printed object can vary, depending on the characteristics of the powder flow and the particles’ as-received properties. Improved understanding of dynamic interactions of flowing powders could enable additive manufacturing components with 2D or 3D variations in mechanical properties, e.g., density. This work uses DEM simulation software to investigate the effects of particle cohesion, friction, and density on the quality of the flow by performing an angle of repose simulation, which is often used as a metric to evaluate the flowability of powders.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Formulation via Resonant Acoustic Mixing at LANL

Discussions in the middle of 2014 led researchers at LANL to seek an alternate formulation method for making PBX based explosives. We began looking into the use of Resonant Acoustic Mixers (RAM) to formulate explosives and mocks. Acoustic mixing had been used in pharmaceutical plants for mixing medicines and coating materials, so we envisioned transitioning that same technology to the energetics world. Up until this time only the wet slurry formulation method that had been used was from the 1940’s. This wet slurry method had been and still was the standard for all explosive formulations. The possibility of an alternate method needed to be looked at to advance the process by expanding solvent choices, substrates, and reducing costs. Acoustic mixing had been shown to mix powders, slurries, pastes or even liquids. A Resodyn LabRAM was purchased in late 2014 to explore these possible applications to energetics. This LabRAM was in a remote configuration that met our need for explosive operations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

SWIFT - Shaped-Waveform Interrogation of Fluids Technique

Researchers at Los Alamos have developed the Shaped-Waveform Interrogation of Fluids Technique (SWIFT), a technology enabling unprecedented process control capability. This technology provides important composition, flow rate, and pipe thickness measurements in real-time, at an extremely low cost and maintenance cycle. By utilizing a specialized shaped-waveform, as well as state-of-the-art signal processing, this information can be gathered without any frequency-domain signal processing, allowing for simplified electronics compared to nearly any other meter on the market. Since this technology is in expensive and non-invasive, with the capability of measuring liquids in both flow pipes and sealed containers, it is perfect for several industrial applications in the oil and gas, beverage, chemical, and pharmaceutical spaces. We are seeking a commercialization partner to license the technology or fund us through a Cooperative Research and Development Agreement (CRADA) to a further develop a usable product for commercial purposes.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

LLNLs Neurotechnology Portfolio Presentation to Society for Brain Mapping and Therapeutics (SBMT) [Slides]

Lawrence Livermore National Laboratory has a long history in Bioengineering. They developed the first-ever bionic eye, as one example given. LLNL works in the Electroceuticals area. ELECTROnic pharmaCEUTICAL: Bioelectronic devices designed to stimulate electrically active tissues to affect biological systems in such a fashion as to alleviate or mitigate symptomatology and/or pathology. The market outlook in the Brain Computer Interface (BCI) area is discussed, as is Polymeric Opto-Electro-Mechanical Systems (POEMS). The presentation ends with iCHIP and Tissue Research topics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Electrochemical conversion of coal-derived CO 2 into fuels and chemicals using a modified PEM electrolyzer. Final report

Opus 12 is developing an electrochemical process to convert CO 2 into chemicals and fuels. Using only CO 2 , water, and electricity as inputs, the electrochemical reduction of CO 2 could form the basis of an artificial carbon cycle that replaces a wide range of products that are currently derived from fossil fuel resources. We have developed a prototype that demonstrates high selectivity and current density for CO 2 conversion to CO, which can be used to make high-value products including methanol, acetic acid, polymers, and pharmaceuticals.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Application of Machine Learning to Improve Biobased Glucaric Acid Production (CRADA 504)

The Agile Biofoundry (ABF) is a multi-national lab consortium funded by the DOE Bioenergy Technologies Office that has developed a biofoundry that enables the rapid deployment of bioproducts into the market. Working with four ABF laboratory members (National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), Lawrence Berkeley National Laboratory (LBNL), and Argonne National Laboratory (ANL)), Kalion will use advanced high throughput techniques, advanced analytics, and machine learning to optimize the production environment for glucaric acid. Low-cost, high-purity glucaric acid enables products in a wide range of fields to improve the chemical properties of products and applications ranging from water treatment, polymers & textiles, coatings, detergents, and pharmaceuticals. With its broad range of applications, glucaric acid has the potential to demonstrate how such bio-based materials offer great benefit to the US economy.

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

CO 2 and Renewable Electricity into Chemicals: Formic Acid Production from Coal Flue Gas

Formic acid (FA) is an industrial chemical. It is used as a preservative for silage, as a digestive aid for animals, as a fluid for fracking, as a pharmaceutical intermediate and in leather tanning. The global formic acid market is valued at 777.4 million USD in 2020 and is expected to reach 851.8 million USD by the end of 2026. A new major formic acid application is the use of formic acid as a key feedstock for the bioprocessing industry. It has the potential to grow tremendously if we can lower the cost of formic acid production compared with the current fossil-fuel one. Recently, Dioxide Materials has developed a technology that can directly convert CO 2 to pure formic acid with a three-compartment CO 2 electrolyzer. However, the electrolyzer performance needs further improvement for the technology to be commercially viable. The major objective of this project is to develop the electrolyzer technology to enable formic acid as a feedstock for the bioprocessing industry to be economically manufactured from flue gas from a coal fired pilot plant. In particular, the project is to understand how to run the electrolyzer for the conversion of CO 2 into formic acid using flue gas from a coal fired power plant as a source of CO 2 . The work will include characterizing how the performance of the electrolyzer changes with low CO 2 concentration and impurities, developing new cell designs that can still operate with feedstocks with low CO 2 concentrations, testing simulated flue gas in the electrolyzer system and developing filters to remove any impurities that arise.

01 COAL, LIGNITE, AND PEAT↗