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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Biosynthesis of bioprivileged, linear molecules via novel carboligase reactions

Over the award period, we made progress on the three aims. We screened twenty-five carboligases for activity coupling twenty-one possible -keto acids (Aim 1). The carboligases were selected across a diverse set of protein sequences. Using Q-Exactive UHPLC-MS, we tested a total of 210 coupled products per enzyme and generated a dataset of 5250 enzyme-substrate activity relationships. We identified multiple enzymes that had activity for synthesizing suberic acid and heptanoic acid (Aim 2). We built a random forest model for predicting the activity of each enzyme toward substrates on which it was not tested using the data from Aim 1. Finally, we evaluated growth defects that occurred due to expression of different carboligases in E. coli (Aim 3). We were able to identify specific metabolites and putative pathways that, when supplemented in the media, recovered the growth defect associated with the presence of specific carboligases. We are in the process of publishing two manuscript describing the methods for high-throughput screening of enzyme promiscuity, using machine learning to predict activity on untested substrates, and enzyme activity data we collected. This project has produced enabling data for biosynthesis of a range of new-to-nature compounds to support biomanufacturing.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Molecular Basis of Broad Spectrum N -Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2

Immunoglobulin G (IgG) glycosylation critically modulates antibody effector functions. Streptococcus pyogenes secretes a unique endo-β-N-acetylglucosaminidase, EndoS2, which deglycosylates the conserved N-linked glycan at Asn297 on IgG Fc to eliminate its effector functions and evade the immune system. EndoS2 and specific point mutants have been used to chemoenzymatically synthesize antibodies with customizable glycosylation for gain of functions. EndoS2 is useful in these schemes because it accommodates a broad range of N-glycans, including high-mannose, complex, and hybrid types; however, its mechanism of substrate recognition is poorly understood. We present crystal structures of EndoS2 alone and bound to complex and high-mannose glycans; the broad N-glycan specificity is governed by critical loops that shape the binding site of EndoS2. Furthermore, hydrolytic experiments, domain-swap chimeras, and hydrogen–deuterium exchange mass spectrometry reveal the importance of the carbohydrate-binding module in the mechanism of IgG recognition by EndoS2, providing insights into engineering enzymes to catalyze customizable glycosylation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Analysis of Bioburden Associated with Nonmetallic Spacecraft Materials

Planetary Protection (PP) requirements help to ensure the integrity of life-detection science conducted on solar system bodies, particularly those with liquid water. Such requirements are often met by a combination of cleaning and verification steps to reduce microbial contamination (i.e. bioburden) to an acceptable limit. There are only two cleaning methods approved by the National and Space Administration (NASA), vapor hydrogen peroxide (VHP) and heat microbial reduction (HMR), the latter of which is the most commonly employed. However, HMR can be harsh and produce its own concerns about material integrity, like aging or increasing hardness. When bioburden reduction methods cannot be employed, the project must rely on assumed NASA specification values of bioburden which can cause compliance issues with strict PP bioburden limitations. This work aimed to more accurately define the risk of contamination of a target body by providing empirical data associated with raw materials commonly used in solid rocket motors for lander missions. In this study, we pulverized nonmetallic materials using a cryogenic grinder, then analyzed the resulting substrate for microbial colony forming units (CFU). We found that many nonmetallic materials do not harbor large bioburden when compared with the NASA specification values, though a range existed depending on the material, treatment, and handling. The results from this work provide quantitative data to help reduce concerns of contamination, while also providing a foundation for follow up studies into additional sterilization methods and molecular identification of contaminating microbes.

Planetary Protection↗
NASA NTRS2008

Final Report on Portable Laser Coating Removal Systems Field Demonstrations and Testing

Processes currently used throughout the National Aeronautics and Space Administration (NASA) to remove corrosion and coatings from structures, ground service equipment and small components results in waste streams consisting of toxic chemicals, spent media blast materials, and waste water. When chemicals are used in these processes they are typically high in volatile organic compounds (VOC) and are considered hazardous air pollutants (HAP). When blast media is used, the volume of hazardous waste generated is increased significantly. Many of the coatings historically used within NASA contain toxic metals such as hexavalent chromium, and lead. These materials are highly regulated and restrictions on worker exposure continue to increase. Most recently the EPA reduced the permissible exposure limit (PEL) for hexavalent chromium. The new standard lowers OSHA's PEL for hexavalent chromium from 52 to 5 micrograms of Cr(V1) per cubic meter of air as an 8-hour time-weighted average. Hexavalent chromium is found in the pretreatment and primer coatings used within the Shuttle Program. In response to the need to continue to protect assets within the agency and the growing concern over these new regulations, NASA is researching different ways to continue the required maintenance of both facility and flight equipment in a safe, efficient and environmentally preferable manner. The use of laser energy to remove prepare surfaces for a variety of processes, such as corrosion and coating removal, weld preparation and non destructive evaluation is a relatively new technology that has shown itself to be environmentally preferable and in many cases less labor intensive than currently used removal methods. The development of a Portable Laser Coating Removal System (PLCRS) started as the goal of a Joint Group on Pollution Prevention (JG-PP) project, led by the Air Force, where several types of lasers in several configurations were thoroughly evaluated. Following this project, NASA decided to evaluate the best performers on processes and coatings specific to the agency. Laser systems used during this project were all of a similar design, most of which had integrated vacuum systems in order to collect materials removed from substrate surfaces during operation. Due to the fact that the technology lends itself to a bide variety of processes, several site demonstrations were organized in order to allow for greater evaluation of the laser systems across NASA. The project consisted of an introductory demonstration and a more in-depth evaluation at Wright-Patterson Air Force Base. Additionally, field demonstrations occurred at Glenn Research Center and Kennedy Space Center. During these demonstrations several NASA specific applications were evaluated, including the removal of coatings within Orbiter tile cavities and Teflon from Space Shuttle Main Engine gaskets, removal of heavy grease from Solid Rocket Booster components and the removal of coatings on weld lines for Shuttle and general ground service equipment for non destructive evaluation (NDE). In addition, several general industry applications such as corrosion removal, structural coating removal, weld-line preparation and surface cleaning were evaluated. This included removal of coatings and corrosion from surfaces containing lead-based coatings and applications similar to launch-structure maintenance and Crawler maintenance. During the project lifecycle, an attempt was made to answer process specific concerns and questions as they arose. Some of these initially unexpected questions concerned the effects lasers might have on substrates used on flight equipment including strength, surface re-melting, substrate temperature and corrosion resistance effects. Additionally a concern was PPE required for operating such a system including eye, breathing and hearing protection. Most of these questions although not initially planned, were fully explored as a part of this project. Generally the results from tesng were very positive. Corrosion was effectively removed from steel, but less successfully from aluminum alloys. Coatings were able to be removed, with varying results, generally dark, matte and thin coatings were easier to remove. Steel and aluminum panels were able to be cleaned for welding, with no known deleterious effects and weld-lines were able to have coatings removed in critical areas for NDE while saving time as compared to other methods.

Rothgeb, Matthew J.↗
DOE OSTI2020

A new pinnotherid crab of the genus Pinnixulala Palacios Theil, Cuesta & Felder, 2016 from uncertain infaunal hosts in the northern Gulf of Mexico, with a rediagnosis and updated synonymy for the polychaete symbiont Pinnixulala retinens (Rathbun, 1918) (Decapoda: Brachyura: Pinnotheridae)

Abstract A new infaunal pinnotherid crab, Pinnixulala heardin. sp., is described from muddy substrates of the middle to inner continental shelf of the northern Gulf of Mexico. Molecular genetic analysis supports its separation from P. retinens (Rathbun, 1918), the only other western Atlantic member of the genus and a species most commonly found living as a symbiont of large polychaete worms. Both western Atlantic species are clearly separated from several described and undescribed populations of congeners occurring along shorelines of the eastern Pacific. We herein include a rediagnosis of P. retinens to facilitate morphological comparisons with P. heardin. sp. Unlike P. retinens, which is more common in shallow inshore waters and reaches larger sizes, the new species lacks development of a strong distally directed spine on the fourth pereopod ischium and has chelae that are at least as heavily developed as the second and third pereopods. In addition, the mature male first gonopods in P. heardin. sp. are tapered over their terminal one-third and directed distally, rather than being curved in their terminal one-third with the tips directed mesially, as they are in P. retinens. The new species is invariably collected from samples including infaunal worms and other invertebrates, but the specific hosts remain to be determined

Marine & Freshwater Biology↗
DOE OSTI2016

Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin

Thrombin exists as an ensemble of active (E) and inactive (E*) conformations that differ in their accessibility to the active site. Here we show that redistribution of the E*–E equilibrium can be achieved by perturbing the electrostatic properties of the enzyme. Removal of the negative charge of the catalytic Asp102 or Asp189 in the primary specificity site destabilizes the E form and causes a shift in the 215–217 segment that compromises substrate entrance. Solution studies and existing structures of D102N document stabilization of the E* form. A new high-resolution structure of D189A also reveals the mutant in the collapsed E* form. Furthermore, these findings establish a new paradigm for the control of the E*–E equilibrium in the trypsin fold.

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

Determining the Three-Dimensional Structures of Silica-Supported Metal Complexes from the Ground Up

The immobilization of molecularly precise metal complexes to substrates, such as silica, provides an attractive platform for the design of active sites in heterogeneous catalysts. Specific steric and electronic variations of the ligand environment enable the development of structure–activity relationships and the knowledge-driven design of catalysts. At present, however, the three-dimensional environment of the precatalyst, much less the active site, is generally not known for heterogeneous single-site catalysts. We explored the degree to which NMR-based surface-to-complex interatomic distances could be used to solve the three-dimensional structures of three silica-supported metal complexes. Furthermore, the structure solution revealed unexpected features related to the environment around the metal that would be difficult to discern otherwise. This approach appears to be highly robust and, due to its simplicity, is readily applied to most single-site catalysts with little extra effort.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family

2-Hydroxyacyl-CoA lyase/synthase (HACL/S) is a thiamine diphosphate (ThDP)-dependent versatile enzyme originally discovered in the mammalian α-oxidation pathway. HACL/S natively cleaves 2-hydroxyacyl-CoAs and, in its reverse direction, condenses formyl-CoA with aldehydes or ketones. The one-carbon elongation biochemistry based on HACL/S has enabled the use of molecules derived from greenhouse gases as biomanufacturing feedstocks. We investigated several HACL/S family members with high activity in the condensation of formyl-CoA and aldehydes, and distinct chain-length specificities and kinetic parameters. Our analysis revealed the structures of enzymes in complex with acyl-CoA substrates and products, several covalent intermediates, bound ThDP and ADP, as well as the C-terminal active site region. One of these observed states corresponds to the intermediary α–carbanion with hydroxymethyl-CoA covalently attached to ThDP. This research distinguishes HACL/S from related sub-families and identifies key residues involved in substrate binding and catalysis. These findings expand our knowledge of acyloin-condensation biochemistry and offer attractive prospects for biocatalysis using carbon elongation.

2-hydroxyacyl-CoA lyase↗
DOE OSTI2022

Multiband superconductivity in strongly hybridized 1 T ' - WTe 2 / NbSe 2 heterostructures

The interplay of topology and superconductivity has become a subject of intense research in condensed-matter physics for the pursuit of topologically nontrivial forms of superconducting pairing. An intrinsically normal-conducting material can inherit superconductivity via electrical contact to a parent superconductor via the proximity effect, usually understood as Andreev reflection at the interface between the distinct electronic structures of two separate conductors. However, at high interface transparency, strong coupling inevitably leads to changes in the band structure, locally, owing to hybridization of electronic states. Here, we investigate such strongly proximity-coupled heterostructures of monolayer $1T$' - $\mathrm{WTe_2}$ grown on NbSe 2 by van der Waals epitaxy. The superconducting local density of states, resolved in scanning tunneling spectroscopy down to 500 mK, reflects a hybrid electronic structure well described by a multiband framework based on the McMillan equations which captures the multiband superconductivity inherent to the NbSe 2 substrate and that is induced by proximity to $\mathrm{WTe_2}$ self-consistently. Our material-specific tight-binding model captures the hybridized heterostructure quantitatively and confirms that strong interlayer hopping gives rise to a semimetallic density of states in the two-dimensional $\mathrm{WTe_2}$ bulk, even for nominally band-insulating crystals. The model further accurately predicts the measured order parameter Δ ≅ 0.6 meV induced in the $\mathrm{WTe_2}$ monolayer bulk, stable beyond a 2 T magnetic field. So we believe that our detailed multiband analysis of the hybrid electronic structure provides a useful tool for sensitive spatial mapping of induced order parameters in proximitized atomically thin topological materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Rigid Band Shifts in Two-Dimensional Semiconductors through External Dielectric Screening

In this work, we investigate the effects of external dielectric screening on the electronic dispersion and the band gap in the atomically thin, quasi-two-dimensional (2D) semiconductor WS 2 using angle-resolved photoemission and optical spectroscopies, along with first-principles calculations. We find the main effect of increased external dielectric screening to be a reduction of the quasiparticle band gap, with rigid shifts to the bands themselves. Specifically, the band gap of monolayer WS 2 is decreased by about 140 meV on a graphite substrate as compared to a hexagonal boron nitride substrate, while the electronic dispersion of WS 2 remains unchanged within our experimental precision of 17 meV. These essentially rigid shifts of the valence and conduction bands result from the special spatial structure of the changes in the Coulomb potential induced by the dielectric environment of the monolayer.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Aluminum Oxide Passivating Tunneling Interlayers for Molybdenum Oxide Hole-Selective Contacts

Aluminum oxide thin films fabricated via atomic layer deposition are introduced as passivating tunneling interlayers between hole-selective molybdenum oxide contacts and silicon absorbers. Surface recombination velocity and specific contact resistivity are reported as a function of Al 2 O 3 thickness. The effects of substrate chemical pretreatment, the thermal history of the Al 2 O 3 layers prior to MoOx deposition, and the thermal history of the completed Al 2 O 3 /MoO x stacks were also investigated. When an SiO x /Al 2 O 3 passivating stack was incorporated and the completed test structure was annealed at 200 °C, the observed recombination velocities were reduced from ~10 000 cm/s for an unpassivated (initially hydrogen-terminated) Si/MoO x direct contact to ~500 cm/s, while maintaining a contact resistivity at or below 0.1 Ω·cm 2 . Finally, the data demonstrate the capability of ultrathin Al 2 O 3 to improve Si/MoO x contact properties and may be of interest in the design of future Si heterojunctions.

14 SOLAR ENERGY↗
DOE OSTI2018

Decoupling Thin Film CdTe Growth from Packaging: Toward Record Specific Power in Low Cost Polycrystalline PV

There are critical material and scientific barriers to producing high efficiency, flexible, lightweight solar cells that maximize specific power in a cost-effective manner. III-V solar cells have produced the highest specific power of any photovoltaic technology due to their extremely high efficiency, however, they are also among the most expensive to produce. This work explores a novel lift-off approach with thin-film solar cells, particularly CdTe, to achieve high specific power at low costs. Thin-film devices can be delaminated from their heavy, glass growth substrates post-growth by exploiting a mismatch in coefficient of thermal expansion between the two. This allows thin-film PV to be decoupled from high temperature growth requirements and repackaged using lightweight materials. In this work we evaluate different materials and approaches for achieving large area delamination of CdTe films from their glass superstrates. It is found that epoxy bonded to a rigid handle provides robust and reproducible delamination at the TCO/CdS interface upon submersion in liquid nitrogen. Following delamination, a transparent front contact is re-deposited and selectively etched to expose the back contact to produce a functioning device. Effects of delamination and contributions to device functionality from CdCl 2 and CdS layers are discussed. Reproducible delamination of high efficiency, thin-film solar cells over large areas will enable work to further improve device efficiency through passivation and reconstruction of the previously buried interface between the transparent contact and CdS.

14 SOLAR ENERGY↗
DOE OSTI2022

Nitrogen Metabolism in Pseudomonas putida : Functional Analysis Using Random Barcode Transposon Sequencing

Pseudomonas putida KT2440 has long been studied for its diverse and robust metabolisms, yet many genes and proteins imparting these growth capacities remain uncharacterized. Using pooled mutant fitness assays, we identified genes and proteins involved in the assimilation of 52 different nitrogen containing compounds. To assay amino acid biosynthesis, 19 amino acid drop-out conditions were also tested. From these 71 conditions, significant fitness phenotypes were elicited in 672 different genes including 100 transcriptional regulators and 112 transport-related proteins. We divide these conditions into 6 classes, and propose assimilatory pathways for the compounds based on this wealth of genetic data. To complement these data, we characterize the substrate range of three promiscuous aminotransferases relevant to metabolic engineering efforts in vitro. So we examine the specificity of five transcriptional regulators, explaining some fitness data results and exploring their potential to be developed into useful synthetic biology tools. In addition, we use manifold learning to create an interactive visualization tool for interpreting our BarSeq data, which will improve the accessibility and utility of this work to other researchers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Genomics and Transcriptomics Analyses of the Oil-Accumulating Basidiomycete Yeast Trichosporon oleaginosus : Insights into Substrate Utilization and Alternative Evolutionary Trajectories of Fungal Mating Systems

Microbial fermentation of agro-industrial waste holds great potential for reducing the environmental impact associated with the production of lipids for industrial purposes from plant biomass. However, the chemical complexity of many residues currently prevents efficient conversion into lipids, creating a high demand for strains with the ability to utilize all energy-rich components of agricultural residues. Here, we present results of genome and transcriptome analyses of Trichosporon oleaginosus. This oil-accumulating yeast is able to grow on a wide variety of substrates, including pentoses and N-acetylglucosamine, making it an interesting candidate for biotechnological applications. Transcriptomics shows specific changes in gene expression patterns under lipid-accumulating conditions. Furthermore, gene content and expression analyses indicate that T. oleaginosus is well-adapted for the utilization of chitin-rich biomass. We also focused on the T. oleaginosus mating type, because this species is a member of the Tremellomycetes, a group that has been intensively analyzed as a model for the evolution of sexual development, the best-studied member being Cryptococcus neoformans. The structure of the T. oleaginosus mating-type regions differs significantly from that of other Tremellomycetes and reveals a new evolutionary trajectory paradigm. Comparative analysis shows that recruitment of developmental genes to the ancestral tetrapolar mating-type loci occurred independently in the Trichosporon and Cryptococcus lineages, supporting the hypothesis of a trend toward larger mating-type regions in fungi. IMPORTANCE: Finite fossil fuel resources pose sustainability challenges to society and industry. Microbial oils are a sustainable feedstock for biofuel and chemical production that does not compete with food production. We describe genome and transcriptome analyses of the oleaginous yeast Trichosporon oleaginosus, which can accumulate up to 70% of its dry weight as lipids. In contrast to conventional yeasts, this organism not only shows an absence of diauxic effect while fermenting hexoses and pentoses but also effectively utilizes xylose and N-acetylglucosamine, which are building blocks of lignocellulose and chitin, respectively. Transcriptome analysis revealed metabolic networks that govern conversion of xylose or N-acetylglucosamine as well as lipid accumulation. These data form the basis for a targeted strain optimization strategy. Furthermore, analysis of the mating type of T. oleaginosus supports the hypothesis of a trend toward larger mating-type regions in fungi, similar to the evolution of sex chromosomes in animals and plants.

10 SYNTHETIC FUELS↗
DOE OSTI2017

Improved Advanced Actuated Hybrid Mirrors Final Report CRADA No. TC02130.0

This was a collaborative effort to develop and demonstrate an improved Advanced Actuated Hybrid Mirrors (AAHM) for commercial or Government purposes. The AAHM consists of a nanolaminate film replicating a precision optical surface bonded to a Silicon Carbide (SiC) substrate with active figure control capability. The goal of this project was to further the development of specific AAHM technologies. The intent of the CRADA was to combine the expertise of LLNL and NG Xinetics in the manufacture and test of a very high quality AAHM, incorporating lessons learned from earlier joint efforts.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Unique Structural Features Relate to Evolutionary Adaptation of Cytochrome P450 in the Abyssal Zone

Cytochromes P450 (CYPs) form one of the largest enzyme superfamilies, with similar structural folds yet biological functions varying from synthesis of physiologically essential compounds to metabolism of myriad xenobiotics. Sterol 14α-demethylases (CYP51s) represent a very special P450 family, regarded as a possible evolutionary progenitor for all currently existing P450s. In metazoans CYP51 is critical for the biosynthesis of sterols including cholesterol. Here we determined the crystal structures of ligand-free CYP51s from the abyssal fish Coryphaenoides armatus and human-. Comparative sequence–structure–function analysis revealed specific structural elements that imply elevated conformational flexibility, uncovering a molecular basis for faster catalytic rates, lower substrate selectivity, and intrinsic resistance to inhibition. In addition, the C. armatus structure displayed a large-scale repositioning of structural segments that, in vivo, are immersed in the endoplasmic reticulum membrane and border the substrate entrance (the FG arm, >20 Å, and the β4 hairpin, >15 Å). The structural distinction of C. armatus CYP51, which is the first structurally characterized deep sea P450, suggests stronger involvement of the membrane environment in regulation of the enzyme function. We interpret this as a co-adaptation of the membrane protein structure with membrane lipid composition during evolutionary incursion to life in the deep sea.

Biochemistry & Molecular Biology↗
DOE OSTI2017

Exometabolomic Analysis of Cross-Feeding Metabolites

Microbial consortia have the potential to perform complex, industrially important tasks. The design of microbial consortia requires knowledge of the substrate preferences and metabolic outputs of each member, to allow understanding of potential interactions such as competition and beneficial metabolic exchange. Here, we used exometabolite profiling to follow the resource processing by a microbial co-culture of two biotechnologically relevant microbes, the bacterial cellulose degrader Cellulomonas fimi , and the oleaginous yeast Yarrowia lipolytica . We characterized the substrate preferences of the two strains on compounds typically found in lignocellulose hydrolysates. This allowed prediction that specific sugars resulting from hemicellulose polysaccharide degradation by C. fimi may serve as a cross-feeding metabolites to Y. lipolytica in co-culture. We also showed that products of ionic liquid-treated switchgrass lignocellulose degradation by C. fimi were channeled to Y. lipolytica in a co-culture. Additionally, we observed metabolites, such as shikimic acid accumulating in the co-culture supernatants, suggesting the potential for producing interesting co-products. Insights gained from characterizing the exometabolite profiles of individual and co-cultures of the two strains can help to refine this interaction, and guide strategies for making this an industrially viable co-culture to produce valuable products from lignocellulose material.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1972

In-space fabrication of thin-film structures

A conceptual study of physical vapor-deposition processes for in-space fabrication of thin-film structures is presented. Potential advantages of in-space fabrication are improved structural integrity and surface reflectivity of free-standing ultra-thin films and coatings. Free-standing thin-film structures can find use as photon propulsion devices (solar sails). Other applications of the concept involve free-standing shadow shields, or thermal control coatings of spacecraft surfaces. Use of expendables (such as booster and interstage structures) as source material for the physical vapor deposition process is considered. The practicability of producing thin, textured, aluminum films by physical vapor deposition and subsequent separation from a revolving substrate is demonstrated by laboratory experiments. Heating power requirement for the evaporation process is estimated for a specific mission.

Lippman, M. E.↗