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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
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Atomic Oxygen Impacts on Materials International Space Station Experiment (MISSE)-16 flight Samples

A variety of materials consisting of polyimides, polyethylene terephthalates (PETs), fiber reinforced polymers, and polyhedral oligomeric silsesquioxanes (POSS) were on the exterior of the International Space Station (ISS) as part of Materials International Space Station Experiment (MISSE)-16. Samples on the side of the ISS pointing in the direction of the spacecraft’s motion (the ram direction) were observed for effects due to atomic oxygen (AO). The erosion yield of select materials from MISSE-16 is reported, as well as their variation in surface roughness due to AO erosion. Trade names and trademarks are used in this paper for identification only. Their usage does not constitute an official endorsement, either expressed or implied, by the National Aeronautics and Space Administration.

Samuel A Westrick↗
DOE OSTI2022

Conversion of lignin to ionic liquids

Disclosed herein are lignin-derived ionic liquids and methods for preparing them. The methods include forming a reaction mixture comprising a lignin-derived starting material, a carbonyl compound, and an amine; maintaining the reaction mixture under conditions sufficient to form a lignin-derived aminophenol; and converting the lignin derived aminophenol to the lignin-derived ionic liquid. Monomeric phenols, oligomeric phenols, and polymeric phenols can be used as lignin-derived starting materials.

Dutta, Tanmoy↗
DOE OSTI2022

Method for alcohol upgrading to jet, diesel, gasoline, and valuable co-products

A method for converting an alcohol to a jet-diesel hydrocarbon fraction, comprising contacting the alcohol with a pillared two-dimensional zeolite catalyst at a temperature of at least 200° C. and up to 500° C. to convert the alcohol to hydrocarbons comprising: (a) a first mixed olefin fraction containing a mixture of C 2 -C 5 olefins; (b) a first paraffin fraction containing C 3 -C 5 paraffins; and (c) a gasoline fraction containing C 6 + hydrocarbons; and the conversion of the alcohol is energy neutral or exothermic. The first mixed olefin fraction may be subjected to an oligomerization process to result in a second paraffin fraction containing C 3 -C 6 paraffins along with a C 7 + partially unsaturated fraction, and the first and second paraffin fractions combined into a total C 3 -C 6 paraffin fraction, which can in turn be subjected to a dehydrogenation or aromatization process with hydrogen gas as byproduct, and the hydrogen gas recycled for use in producing the jet-diesel fraction.

Li, Zhenglong↗
DOE OSTI2022

Coated fiber optic chemical and radiation sensors

Distributed fiber optic chemical and radiation sensors formed by coating the fibers with certain types of response materials are provided. For distributed chemical sensors, the coatings are reactive with the targets; the heat absorbed or released during a reaction will cause a local temperature change on the fiber. For distributed radiation sensors, coating a fiber with a scintillator enhances sensitivity toward thermal neutrons, for example, by injecting light into the fiber. The luminescent components in these materials are taken from conjugated polymeric and oligomeric dyes, metal organic frameworks with sorbed dyes, and two-photon-absorbing semiconductors. The compositions may exhibit strong gamma rejection. Other scintillators combining luminescent materials with neutron converters are available. With a multiple-layer coating, it may be possible to identify the presence of both neutrons and gamma rays, for example. Coatings may be applied during manufacture or in the field.

Lamberti, Vincent E.↗
DOE OSTI2023

Direct Conversion of Delignified Biomass into Non-Volatile Products Using Thermophilic Bacteria

Butyric acid (BA) can be used as a platform intermediate for diesel and sustainable aviation fuels (SAFs) as well as a precursor for diverse commodity chemicals for the production of polymers, fibers, solvents, and preservatives. This work presents a co-culture-based bioprocess for the production of BA from corn stover by two thermophilic bacteria, Clostridium thermocellum, a well-known efficient degrader of insoluble and oligomeric cellulosic substrates, and Clostridium thermobutyricum, a highly efficient BA producer from monomeric sugars. First, we tested the capability of C. thermocellum to deconstruct three different biomass streams from the NREL pilot plant pretreatment process -raw, deacetylated, and deacetylated and mechanically refined corn stover (DMR)-, and up to 82% solids deconstruction and 91% carbohydrate utilization were obtained when using DMR solids. Then, the sugar utilization and by-product formation capabilities on various substrates by C. thermobutyricum were compared to evaluate its potential as a co-culture partner for C. thermocellum. Model carbon sources -glucose and xylose- were compared to a mixture of substrates present in soluble DMR hydrolysate streams, and the highest cell density as well as the maximum BA titer (8.3 g/L) were observed on DMR hydrolysate. Finally, clostridial co-cultivations on DMR solids were performed to investigate the inoculation time for both organisms that enhances BA production; while C. thermocellum was always inoculated at the beginning of the cultivation, C. thermobutyricum was inoculated at 0, 36, or 72h. It was found that BA production begins immediately upon inoculation of C. thermobutyricum regardless of the inoculation time. However, higher solids deconstruction and carbohydrate utilization results (83.7 and 95.6%, respectively) were obtained when both organisms were inoculated at the beginning of the fermentation. Under those conditions, up to 2.6 g/L of BA were obtained from DMR solids after 120h of cultivation. This work provides relevant information for the sustainable production of BA using thermophilic bacteria.

bacterial co-culture↗
DOE OSTI2023

Economic and Sustainability Assessment on Bio-Based 2,3-BDO Separation Approaches for Sustainable Aviation Fuel Production

Sustainable aviation fuel (SAF) plays a critical role in aviation decarbonization. SAF can be derived from lignocellulosic biomass, such as corn stover, via 2,3-butanediol (BDO) intermediate. BDO undergoes downstream upgrading, including dehydration, oligomerization, and hydrotreating, to make the hydrocarbon blend stock like SAF. Separating BDO from a fermentation broth is challenging. Water is more volatile than BDO, so energy consumption for ordinary distillation is prohibitively high. For BDO to be a feasible intermediate for sustainable biofuels such as SAF, the total energy usage for the BDO separation target was set to be no greater than 30% of its lower heating value (LHV). We have developed and explored less energy intensive separation technologies for processing dilute fermentation BDO broth into suitable feed for downstream upgrading. The combined economic and sustainability assessment was performed to assess the feasibility of select cost-effective process designs and comparisons with baseline technology (i.e., cascade vacuum distillation).

BIOMASS FUELS↗
DOE OSTI2022

Thixotropic polysiloxane pastes for additive manufacturing

Shelf-stable, rapid crosslinking, “all-in-one” pastes useful as “inks” in additive manufacturing are provided. These pastes exhibit desirable rheological flow properties and crosslinking upon exposure to UV light. The pastes are based on vinylsilyl-functionalized, completely amorphous, linear terpolysiloxanes containing predominantly dimethylsiloxy-repeat units with small amounts of diphenylsiloxy-, methylphenylsiloxy-, diethylsiloxy-, and/or methyltrifluoroalkylsiloxy-crystallization disruptors. The base polymers are preferably compounded with a trimethylsilylated-hydrophobic silica filler, thixotropic flow agent, hydrosilyl-functionalized oligomeric crosslinker, and a catalytic system comprising platinum(II) acetylacetonate or trimethyl(methylcyclopentadienyl)-platinum(IV), and diethyl azodicarboxylate.

Messman, Jamie Michael↗
DOE OSTI2023

Butyric Acid Production from Delignified Corn Stover Using Thermophilic Bacterial Co-Cultures

Butyric acid (BA) is a valuable platform chemical in the food and pharmaceutical industries, and it is also a potential precursor for the production of biobutanol and sustainable aviation fuels (SAFs). BA is mainly synthesized from petroleum; thus, cost-effective, and sustainable alternatives for its production are attracting the interest of several sectors. The present work proposes a solids-to-acids bioprocess to produce BA from corn stover utilizing a co-culture that consists of two thermophilic bacteria, Clostridium thermocellum, a well-known efficient degrader of insoluble and oligomeric cellulosic substrates, and Clostridium thermobutyricum, a highly efficient BA producer from monomeric sugars. After initial proof of concept experiments, a series of optimization studies were carried out to evaluate the process limits of this co-culture. First, the co-cultivation of both microorganisms at different inoculum sizes in deacetylated and mechanically refined corn stover (DMR) was evaluated. No significant differences were found on the solids deconstruction and carbohydrates utilization among all the treatments. In addition, BA production was similar under all conditions, ranging between 2.1 and 2.4 g/L. Next, the deconstruction, and BA production capabilities of the co-culture at increased DMR solids contents (3, 4.5, and 6% (w/v)) were tested. Although no difference was observed in the solids deconstruction and carbohydrates utilization among treatments, BA production increased concomitantly to solids loading; the maximum values observed were 2.8, 3.6, and 6.2 g/L in the 3, 4.5, and 6% treatments, respectively. In fact, BA production did not reach its absolute maximum in the 6% treatment after 160 h of fermentation. Lastly, a fed-batch experiment was performed to investigate the co-culture capabilities and possible system constraints to achieve higher BA titers. Data on substrate modifications and product formation as well as on the growth of each microorganism will be shown. Results from this work demonstrate a promising bioprocess approach for the production of BA from lignocellulosic biomass using a thermophilic bacterial co-culture.

bacteria↗
DOE OSTI2023

Thixotropic polysiloxane pastes for additive manufacturing

Shelf-stable, rapid crosslinking, “all-in-one” pastes useful as “inks” in additive manufacturing are provided. These pastes exhibit desirable rheological flow properties and crosslinking upon exposure to UV light. The pastes are based on vinylsilyl-functionalized, completely amorphous, linear terpolysiloxanes containing predominantly dimethylsiloxy-repeat units with small amounts of diphenylsiloxy-, methylphenylsiloxy-, diethylsiloxy-, and/or methyltrifluoroalkylsiloxy-crystallization disruptors. The base polymers are preferably compounded with a trimethylsilylated-hydrophobic silica filler, thixotropic flow agent, hydrosilyl-functionalized oligomeric crosslinker, and a catalytic system comprising platinum(II) acetylacetonate or trimethyl(methylcyclopentadienyl)-platinum(IV), and diethyl azodicarboxylate.

Messman, Jamie Michael↗
DOE OSTI2024

Thixotropic polysiloxane pastes for additive manufacturing

Shelf-stable, rapid crosslinking, “all-in-one” pastes useful as “inks” in additive manufacturing are provided. These pastes exhibit desirable rheological flow properties and crosslinking upon exposure to UV light. The pastes are based on vinylsilyl-functionalized, completely amorphous, linear terpolysiloxanes containing predominantly dimethylsiloxy- repeat units with small amounts of diphenylsiloxy-, methylphenylsiloxy-, diethylsiloxy-, and/or methyltrifluoroalkylsiloxy- crystallization disruptors. The base polymers are preferably compounded with a trimethylsilylated-hydrophobic silica filler, thixotropic flow agent, hydrosilyl-functionalized oligomeric crosslinker, and a catalytic system comprising platinum (II) acetylacetonate or trimethyl(methylcyclopentadienyl)-platinum (IV), and diethyl azodicarboxylate.

Messman, Jamie Michael↗
DOE OSTI2022

NIR Dataset and Models (Near-Infrared Spectroscopy Calibration Dataset for Butanediol Fermentation and Multivariate Calibration Models) [SWR-22-60]

2,3-butanediol (2,3-BDO) is an economically important platform chemical that can be used in a variety of chemical feedstocks, liquid fuels, and biosynthetic building blocks. While 2,3-BDO can be efficiently produced by fermentation, the fermentation requires continuous monitoring and control to maximize 2,3-BDO yields and minimize inhibitory coproducts. Because of the time required for sampling and at-line measurement of fermentation samples with high pressure liquid chromatography (HPLC), the ability for operators to perform real-time modification to fermentation conditions is limited. To overcome this challenge, researchers from the National Renewable Energy Laboratory (NREL) have developed a calibration model which can predict the concentration of several analytes in real-time using near-infrared (NIR) spectra of the filtered fermentation broth. While significantly reducing the need for off-line sampling, NREL expects this technology to play a critical role in maximizing 2,3-BDO production. 2,3-butanediol (2,3-BDO) is a useful chemical platform that can be used to create a variety of products. For instance, 2,3-BDO can be (1) dehydrated and converted into methyl ethyl ketone, a liquid fuel additive or (2) deoxydehydrated into 1,3-butadiene for synthetic rubber, which can also be oligomerized in high yields to gasoline, diesel, and jet fuel. In order to maximize 2,3-BDO production, frequent measurement of fermentation samples is needed, as small changes in oxygen concentration can drive the fermentation to undesired products. For example, oxygen-deficient conditions result in glycerol production, while excess oxygen concentrations result in acetoin production. This results in the need for measuring dissolved oxygen, glucose, and xylose concentrations in order to optimize the aeration rate of the fermentation. Traditional monitoring methods occurs off-line and can take up to 30 minutes per sample. With multiple fermenters and high-pressure liquid chromatography (HPLC) injectors, resulting in the need for multiple samples, the sampling process can take hours to complete. NREL’s calibration model can predict the glucose, xylose, 2,3-BDO, acetoin, and glycerol concentrations from NIR spectra of filtered fermentation liquor samples. Using a partial least-squares (PLS) calibration model, NREL’s model can monitor the concentration of these analytes during subsequent fermentations at bench- and pilot-scale, demonstrating the utility of NIR spectroscopy combined with chemometrics for real-time, at-line monitoring of 2,3-BDO fermentations.

Wolfrum, Edward↗
DOE OSTI2021

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment

Here we present the results for CAPRI Round 50, the fourth joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of twelve targets, including six dimers, three trimers, and three higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly related templates were found for the individual subunits. Twenty-five CAPRI groups including eight automatic servers submitted ~1250 models per target. Twenty groups including six servers participated in the CAPRI scoring challenge submitted ~190 models per target. The accuracy of the predicted models was evaluated using the classical CAPRI criteria. The prediction performance was measured by a weighted scoring scheme that takes into account the number of models of acceptable quality or higher submitted by each group as part of their five top-ranking models. Compared to the previous CASP-CAPRI challenge, top performing groups submitted such models for a larger fraction (70–75%) of the targets in this Round, but fewer of these models were of high accuracy. Scorer groups achieved stronger performance with more groups submitting correct models for 70–80% of the targets or achieving high accuracy predictions. Servers performed less well in general, except for the MDOCKPP and LZERD servers, who performed on par with human groups. In addition to these results, major advances in methodology are discussed, providing an informative overview of where the prediction of protein assemblies currently stands.

protein complexes↗
DOE OSTI2020

Self-assembling Shell Proteins PduA and PduJ have Essential and Redundant Roles in Bacterial Microcompartment Assembly

Protein self-assembly is a common and essential biological phenomenon, and bacterial microcompartments present a promising model system to study this process. Bacterial microcompartments are large, protein-based organelles which natively carry out processes important for carbon fixation in cyanobacteria and the survival of enteric bacteria. These structures are increasingly popular with biological engineers due to their potential utility as nanobioreactors or drug delivery vehicles. However, the limited understanding of the assembly mechanism of these bacterial microcompartments hinders efforts to repurpose them for non-native functions. Here, we comprehensively investigate proteins involved in the assembly of the 1,2-propanediol utilization bacterial microcompartment from Salmonella enterica serovar Typhimurium LT2, one of the most widely studied microcompartment systems. We first demonstrate that two shell proteins, PduA and PduJ, have a high propensity for self-assembly upon overexpression, and we provide a novel method for self-assembly quantification. Using genomic knock-outs and knock-ins, we systematically show that these two proteins play an essential and redundant role in bacterial microcompartment assembly that cannot be compensated by other shell proteins. At least one of the two proteins PduA and PduJ must be present for the bacterial microcompartment shell to assemble. We also demonstrate that assembly-deficient variants of these proteins are unable to rescue microcompartment formation, highlighting the importance of this assembly property. Our work provides insight into the assembly mechanism of these bacterial organelles and will aid downstream engineering efforts.

1,2-propanediol utilization MCP↗
DOE OSTI2024

Chemical Differences between Phenolic Secondary Organic Aerosol Formed through Gas-Phase and Aqueous-Phase Reactions

Phenolic compounds, which are significant emissions from biomass burning (BB), undergo rapid photochemical reactions in both gas and aqueous phases to form secondary organic aerosol, namely, gasSOA and aqSOA, respectively. The formation of gasSOA and aqSOA involves different reaction mechanisms, leading to different product distributions. In this study, we investigate the gaseous and aqueous reactions of guaiacol a representative BB phenol to elucidate the compositional differences between phenolic aqSOA and gasSOA. Aqueous-phase reactions of guaiacol produce higher SOA yields than gas-phase reactions (e.g., roughly 60 vs 30% at one half-life of guaiacol). These aqueous reactions involve more complex reaction mechanisms and exhibit a more gradual SOA evolution than their gaseous counterparts. Initially, gasSOA forms with high oxidation levels (O/C > 0.82), while aqSOA starts with lower O/C (0.55–0.75). However, prolonged aqueous-phase reactions substantially increase the oxidation state of aqSOA, making its bulk chemical composition closer to that of gasSOA. Additionally, aqueous reactions form a greater abundance of oligomers and high-molecular-weight compounds, alongside a more sustained production of carboxylic acids. AMS spectral signatures representative of phenolic gasSOA have been identified, which, together with tracer ions of aqSOA, can aid in the interpretation of field observation data on aerosol aging within BB smoke. The notable chemical differences between phenolic gasSOA and aqSOA highlighted in this study also underscore the importance of accurately representing both pathways in atmospheric models to better predict the aerosol properties and their environmental impacts.

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

3D domain swapping in the TIM barrel of the α subunit of Streptococcus pneumoniae tryptophan synthase

Tryptophan synthase catalyzes the last two steps of tryptophan biosynthesis in plants, fungi and bacteria. It consists of two protein chains, designated α and β, encoded by trpA and trpB genes, that function as an αββα complex. Structural and functional features of tryptophan synthase have been extensively studied, explaining the roles of individual residues in the two active sites in catalysis and allosteric regulation. TrpA serves as a model for protein-folding studies. In 1969, Jackson and Yanofsky observed that the typically monomeric TrpA forms a small population of dimers. Dimerization was postulated to take place through an exchange of structural elements of the monomeric chains, a phenomenon later termed 3D domain swapping. The structural details of the TrpA dimer have remained unknown. Here, the crystal structure of the Streptococcus pneumoniae TrpA homodimer is reported, demonstrating 3D domain swapping in a TIM-barrel fold for the first time. The N-terminal domain comprising the H0–S1–H1–S2 elements is exchanged, while the hinge region corresponds to loop L2 linking strand S2 to helix H2′. The structural elements S2 and L2 carry the catalytic residues Glu52 and Asp63. As the S2 element is part of the swapped domain, the architecture of the catalytic apparatus in the dimer is recreated from two protein chains. The homodimer interface overlaps with the α–β interface of the tryptophan synthase αββα heterotetramer, suggesting that the 3D domain-swapped dimer cannot form a complex with the β subunit. In the crystal, the dimers assemble into a decamer comprising two pentameric rings.

3D domain swapping↗