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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Asymmetric loading of TnsE regulates Tn7 targeting of DNA replication structures

Abstract Tn7 transposable elements are known for their sophisticated target-site selection mechanisms. For the prototypical Tn7 element, dedicated transposon-encoded proteins direct insertions to either a conserved site in the chromosome or replicating DNA structures in conjugal plasmids, ensuring the vertical and horizontal spread of the element. While the pathway targeting the attTn7 site in the bacterial chromosome has been extensively studied, the pathway targeting DNA replication structures remains poorly understood. We have used an integrative structural biology approach to elucidate how the Tn7-encoded protein TnsE recognizes replication sites. Using native mass spectrometry, we found that TnsE forms 1:1 and 2:1 (TnsE:DNA) complexes on 3′-recessed DNA, with gain-of-function TnsE variants favoring the formation of 2:1 complexes. Structural characterization confirms that two TnsE molecules bind to DNA with the C-terminal domain of the protein recognizing duplex DNA, leaving the N-terminal domain to impose DNA substrate specificity and recruit the core transposition machinery. Collectively, our work is consistent with a model where TnsE-mediated target-site selection relies on the formation of an asymmetric TnsE:DNA complex to recruit the Tn7 transposase to DNA replication structures.

Biochemistry & Molecular Biology↗
DOE OSTI2022

Integrated Solar-Driven Device with a Front Surface Semitransparent Catalysts for Unassisted CO 2 Reduction

Monolithic integrated photovoltaic-driven electrochemical (PV-EC) artificial photosynthesis is reported for unassisted CO 2 reduction. The PV-EC structures employ triple junction photoelectrodes with a front mounted semitransparent catalyst layer as a photocathode. The catalyst layer is comprised of an array of microscale triangular metallic prisms that redirect incoming light toward open areas of the photoelectrode to reduce shadow losses. Full wave electromagnetic simulations of the prism array (PA) structure guide optimization of geometries and length scales. An integrated device is constructed with Ag catalyst prisms covering 35% of the surface area. The experimental device has close to 80% of the transmittance with a catalytic surface area equivalent 144% of the glass substrate area. Experimentally this photocathode demonstrates a direct solar-to-CO conversion efficiency of 5.9% with 50 h stability. Selective electrodeposition of Cu catalysts onto the surface of the Ag triangular prisms allows CO2 conversion to higher value products enabling demonstration of a solar-to-C 2+ product efficiency of 3.1%. This design featuring structures that have a semitransparent catalyst layer on a PV-EC cell is a general solution to light loss by shadowing for front surface mounted metal catalysts, and opens a route for the development of artificial photosynthesis based on this scalable design approach.

14 SOLAR ENERGY↗
DOE OSTI2018

Giant Magnetoresistance in Electrochemical Deposited CoFe/Cu Multilayers Depending on Fe Concentration

Electrochemical deposition of CoFe/Cu multilayers were performed on Ti substrate from a single bath. 0.025, 0.05 and 0.1 M Fe concentration were used in electrolytes. The deposition potentials were selected − 1.5 V for magnetic layers and − 0.3 V for non-magnetic layers with respect to saturated calomel electrode. The current-time transients were obtained during the deposition process. The X-ray diffraction was used to define the structure of the multilayers. The multilayers were found to be face-centred cubic structure such as bulk Cu. Their lattice parameter and inter-planar distances values confirm this result. The magnetic measurements were performed at room temperature under 2 kOe external magnetic field. The results show that the saturation magnetization gradually increased from 27 to 50 emu/cm{sup 3} with increasing 0.025 to 0.05 M Fe concentration in electrolyte, and in the multilayer prepared from the electrolyte containing 0.1 M Fe concentration, this value drastically decreased to 18 emu/cm{sup 3}. The magnetoresistance measurements were carried out in magnetic fields in the range of ± 1.2 kOe. The high GMR value (18 %) and sensitivity (4.4 %/Oe) were obtained for this multilayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Synthesis and characterization of dense Gd 2 Ti 2 O 7 pyrochlore thin films deposited using RF magnetron sputtering

Thin films of phase-pure pyrochlore Gd 2 Ti 2 O 7 have been synthesized by RF magnetron sputtering. The films were prepared from oxide targets in 50% O 2 /Ar atmosphere and deposited on 111 yttria-stabilized zirconia (YSZ) substrates at a temperature of 800 °C. The pyrochlore structure was confirmed via grazing angle X-ray diffraction and selected area electron diffraction (SAED). Transmission electron microscopy (TEM) analysis also showed that the films were dense and of uniform thickness with surface roughness of approximately 8 nm. The total conductivity measured with AC impedance spectroscopy was found to be independent of thickness and comparable in magnitude to that of bulk Gd 2 Ti 2 O 7 . Differences were observed in the Arrhenius behavior between the bulk and thin film samples and are attributed to varying states of order in the crystalline lattice compounded by different levels of background impurities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Solution-Processable Polymer Donor-Small Molecule Acceptor Bulk Heterojunction Organocatalysts for Enhancing CO 2 -to-CO Photoconversion

Metal-free organic semiconductors have emerged as a kind of promising star material in photocatalysis. However, their photocatalytic efficacy is impeded by the great recombination rate of the photogenerated charge carriers. Herein, we demonstrate the devising of solution-processable organic semiconductor bulk heterojunction (BHJ) systems with varying ratios by using BP3DT and PC 61 BM as the donor (D) and acceptor (A) candidates, respectively, for enhanced selective CO production from CO 2 photoreduction. The prepared BP3DT/PC 61 BM BHJs are solution-processed on both glass substrates (GS) and molecular sieves (MS) via a drop-casting technique to form an active thin film and porous photocatalysts to catalyze CO production. All BP3DT/PC 61 BM BHJs efficiently produce CO as the primary product in the existence of trace-level TEA/H 2 O (0.5 mL). Our results show that the photocatalytic efficiency depended on the D/A w% ratios and its nanoscale phase separation morphology within the BHJ, contributing to the promotion of exciton dissociation. Additionally, the BHJ undergoes an ostensible morphological transition from large-scale phase-separation to a fine mixed homogeneous nanoscale by varying the BP3DT/PC 61 BM blend ratio from 30/70 w% to 70/30 w%, which increases the interfacial area and shortens the distance of the exciton to the D/A surface, and promotes charge carrier separation, corroborated by photo-optical and photoelectrochemical experimental results. Accordingly, the resulting BP3DT/PC 61 BM BHJ@MS with a D/A ratio of 70/30 w% achieves a CO yield of 819 μmol·g cat -1 h -1 , surpassing those of pure PC 61 BM (126 μmol·g cat -1 h -1 ) and BP3DT (72 μmol·g cat -1 h -1 ) by 6.5- to 11.3-fold and also exceeding that of metal-free linear conjugated polymer-based organocatalysts reported to date. Specifically, this is the first work to develop an organic-semiconductor-based BHJ photocatalyst, which may offer a nascent way to design more efficient organocatalysts for CO 2 reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations in Staphylococcus aureus Dihydropteroate Synthase

Staphylococcal species are a leading cause of bacterial drug-resistant infections and associated mortality. One strategy to combat bacterial drug resistance is to revisit compromised targets, and to circumvent resistance mechanisms using structure-assisted drug discovery. The folate pathway is an ideal candidate for this approach. Antifolates target an essential metabolic pathway, and the necessary detailed structural information is now available for most enzymes in this pathway. Dihydropteroate synthase (DHPS) is the target of the sulfonamide class of drugs, and its well characterized mechanism facilitates detailed analyses of how drug resistance has evolved. Here, we surveyed clinical genetic sequencing data in S. aureus to distinguish natural amino acid variations in DHPS from those that are associated with sulfonamide resistance. Five mutations were identified, F17L, S18L, T51M, E208K, and KE257_dup. Their contribution to resistance and their cost to the catalytic properties of DHPS were evaluated using a combination of biochemical, biophysical and microbiological susceptibility studies. These studies show that F17L, S18L, and T51M directly lead to sulfonamide resistance while unexpectedly increasing susceptibility to trimethoprim, which targets the downstream enzyme dihydrofolate reductase. The secondary mutations E208K and KE257_dup restore trimethoprim susceptibility closer to wild-type levels while further increasing sulfonamide resistance. Structural studies reveal that these mutations appear to selectively disfavor the binding of the sulfonamides by sterically blocking an outer ring moiety that is not present in the substrate. This emphasizes that new inhibitors must be designed that strictly stay within the substrate volume in the context of the transition state.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Development of a plasma sprayed ceramic gas path seal for high pressure turbine application

Development of the plasma sprayed graded, layered ZRO2/CoCrAlY seal system for gas turbine engine blade tip seal applications up to 1589 K (2400 F) surface temperature was continued. The effect of changing ZRO2/CoCrAlY ratios in the intermediate layers on thermal stresses was evaluated analytically with the goal of identifying the materials combinations which would minimize thermal stresses in the seal system. Three methods of inducing compressive residual stresses in the sprayed seal materials to offset tensile thermal stresses were analyzed. The most promising method, thermal prestraining, was selected based upon potential, feasibility and complexity considerations. The plasma spray equipment was modified to heat, control and monitor the substrate temperature during spraying. Specimens were fabricated and experimentally evaluated to: (1) substantiate the capability of the thermal prestrain method to develop compressive residual stresses in the sprayed structure and (2) define the effect of spraying on a heated substate on abradability, erosion and thermal shock characteristics of the seal system. Thermal stress analysis, including residual stresses and material properties variations, was performed and correlated with thermal shock test results. Seal system performance was assessed and recommendations for further development were made.

Shiembob, L. T.↗
NASA NTRS1981

Low cost concentrator

The key to concentrator cost effectiveness is the proper design of the reflector surface panels. The low cost concentrator reflective surface design is based on use of a thin, backsilvered mirror glass reflector bonded to a molded structural plastic substrate. This combination of reflective panel material offers excellent optical performance at low cost. The design approach, rationale for the selected configuration, and the development status are described. Reflective panel development and demonstration results are also presented.

Bedard, R. J., Jr.↗
NASA NTRS1994

Double layer hydroxide minerals as host structures for bioorganic molecules

A central problem in molecular evolution concerns the selective concentration from dilute, multicomponent solution of source molecules into a reactive environment, where formation of larger molecular assemblages can take place. Minerals consisting of positively charged, separable metal hydroxide sheets have proven capable of these functions. This common structural type is represented by minerals such as pyroaurite (Mg-Fe(3+) hydroxide), hydrotalcite (Mg-Al), green rust Fe(2+)-Fe(3+) and others. Effective interlayer sorption is demonstrated for orthophosphate and condensed phosphates, anionic alkyl compounds, polypeptides, nucleic acids, cyanide complexes and glycolaldehyde phosphate, the latter shown to readily oligomerize to form and selectively retain racemic hexose -2, 4, 6-phosphates, preferentially of altrose (Pitsch, et al, 1993). The selective aldomerization and retention effects correlate with the charge distribution in the host mineral structure and the stereochemistry of the substrate molecules. Interaction between nucleic acid bases, and between the cyanide groups of glycolaldehyde phosphate nitrile at the low water activity in the mineral interlayer is indicated by doubling of the monomeric separation of the hydroxide mineral sheets.

Lee, Ton↗
DOE OSTI2024

Silicon-carbide-on-insulator via photoelectrochemical etching

Silicon carbide on insulator is provided by bonding bulk silicon carbide to a substrate with an oxide-oxide fusion bond, followed by thinning the bulk silicon carbide as needed. A doping-selective etch for silicon carbide is used to improve thickness uniformity of the silicon carbide layer(s).

Lukin, Daniil M.↗
DOE OSTI2023

Wire rivet

A rivet assembly for securing a wire in electrical communication with a substrate having a hollow cylindrical body with a first opening at a proximal end and a second opening at a distal end. The rivet assembly further includes a wire with a portion in electrical communication with the cylindrical body. The rivet assembly yet further includes a compression mechanism configured for use selectively compressing the cylindrical body along an axial direction. Compression of the cylindrical body can cause diametric expansion of an outer diameter of the cylindrical body to retain the cylindrical body within a substrate. The rivet assembly additionally includes wire retention structure configured for holding the wire in electrical contact with the compressed cylindrical body.

Briggs, Timothy↗
DOE OSTI2015

Visualization and quantification of magnetic nanoparticles into vesicular systems by combined atomic and magnetic force microscopy

We report a phenomenological approach for the quantification of the diameter of magnetic nanoparticles (MNPs) incorporated in non-ionic surfactant vesicles (niosomes) using magnetic force microscopy (MFM). After a simple specimen preparation, i.e., by putting a drop of solution containing MNPs-loaded niosomes on flat substrates, topography and MFM phase images are collected. To attempt the quantification of the diameter of entrapped MNPs, the method is calibrated on the sole MNPs deposited on the same substrates by analyzing the MFM signal as a function of the MNP diameter (at fixed tip-sample distance) and of the tip-sample distance (for selected MNPs). After calibration, the effective diameter of the MNPs entrapped in some niosomes is quantitatively deduced from MFM images.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Copper‐Catalyzed C(sp 3 )−H Amidation: Sterically Driven Primary and Secondary C−H Site‐Selectivity

Abstract Undirected C(sp 3 )−H functionalization reactions often follow site‐selectivity patterns that mirror the corresponding C−H bond dissociation energies (BDEs). This often results in the functionalization of weaker tertiary C−H bonds in the presence of stronger secondary and primary bonds. An important, contemporary challenge is the development of catalyst systems capable of selectively functionalizing stronger primary and secondary C−H bonds over tertiary and benzylic C−H sites. Herein, we report a Cu catalyst that exhibits a high degree of primary and secondary over tertiary C−H bond selectivity in the amidation of linear and cyclic hydrocarbons with aroyl azides ArC(O)N 3 . Mechanistic and DFT studies indicate that C−H amidation involves H‐atom abstraction from R‐H substrates by nitrene intermediates [Cu](κ 2 ‐ N , O ‐NC(O)Ar) to provide carbon‐based radicals R . and copper(II)amide intermediates [Cu II ]‐NHC(O)Ar that subsequently capture radicals R . to form products R‐NHC(O)Ar. These studies reveal important catalyst features required to achieve primary and secondary C−H amidation selectivity in the absence of directing groups.

Bakhoda, Abolghasem (Gus)↗
DOE OSTI2016

Defining the extreme substrate specificity of Euonymus alatus diacylglycerol acetyltransferase, an unusual membrane-bound O -acyltransferase

Euonymus alatus diacylglycerol acetyltransferase (EaDAcT) synthesizes the unusually structured 3-acetyl-1,2-diacylglycerols (acetyl-TAG) found in the seeds of a few plant species. A member of the membrane-bound O-acyltransferase (MBOAT) family, EaDAcT transfers the acetyl group from acetyl-CoA to sn-1,2-diacylglycerol (DAG) to produce acetyl-TAG. In vitro assays demonstrated that the enzyme is also able to utilize butyryl-CoA and hexanoyl-CoA as acyl donors, though with much less efficiency compared with acetyl-CoA. Acyl-CoAs longer than eight carbons were not used by EaDAcT. This extreme substrate specificity of EaDAcT distinguishes it from all other MBOATs which typically catalyze the transfer of much longer acyl groups. In vitro selectivity experiments revealed that EaDAcT preferentially acetylated DAG molecules containing more double bonds over those with less. However, the enzyme was also able to acetylate saturated DAG containing medium chain fatty acids, albeit with less efficiency. Interestingly, EaDAcT could only acetylate the free hydroxyl group of sn-1,2-DAG but not the available hydroxyl groups in sn-1,3-DAG or in monoacylglycerols (MAG). Consistent with its similarity to the jojoba wax synthase, EaDAcT could acetylate fatty alcohols in vitro to produce alkyl acetates. Likewise, when coexpressed in yeast with a fatty acyl-CoA reductase capable of producing fatty alcohols, EaDAcT synthesized alkyl acetates although the efficiency of production was low. As a result, this improved understanding of EaDAcT specificity confirms that the enzyme preferentially utilizes acetyl-CoA to acetylate sn-1,2-DAGs and will be helpful in engineering the production of acetyl-TAG with improved functionality in transgenic plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

New open conformation of SMYD3 implicates conformational selection and allostery

SMYD3 plays a key role in cancer cell viability, adhesion, migration and invasion. SMYD3 promotes formation of inducible regulatory T cells and is involved in reducing autoimmunity. However, the nearly “closed” substrate-binding site and poor in vitro H3K4 methyltransferase activity have obscured further understanding of this oncogenically related protein. Here we reveal that SMYD3 can adopt an “open” conformation using molecular dynamics simulation and small-angle X-ray scattering. This ligand-binding-capable open state is related to the crystal structure-like closed state by a striking clamshell-like inter-lobe dynamics. The two states are characterized by many distinct structural and dynamical differences and the conformational transition pathway is mediated by a reversible twisting motion of the C-terminal domain (CTD). The spontaneous transition from the closed to open states suggests two possible, mutually non-exclusive models for SMYD3 functional regulation and the conformational selection mechanism and allostery may regulate the catalytic or ligand binding competence of SMYD3. This study provides an immediate clue to the puzzling role of SMYD3 in epigenetic gene regulation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Collection of low-grade waste heat for enhanced energy harvesting

Enhanced energy harvesting through the collection of low-grade waste heat is experimentally demonstrated. A structural optimization technique is exploited in the design of a thermal-composite substrate to guide and gather the heat emanating from multiple sources to a predetermined location. A thermoelectric generator is then applied at the selected focusing region to convert the resulting low-grade waste heat to electrical power. The thermal characteristics of the device are experimentally verified by direct temperature measurements of the system and numerically validated via heat conduction simulations. Electrical performance under natural and forced convection is measured, and in both cases, the device with optimized heat flow control plus energy harvesting demonstrates increased power generation when compared with a baseline waste heat recovery system. Electronics applications include energy scavenging for autonomously powered sensor networks or self-actuated devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Differential active site requirements for NDM-1 β-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics

New Delhi metallo-β-lactamase-1 exhibits a broad substrate profile for hydrolysis of the penicillin, cephalosporin and 'last resort' carbapenems, and thus confers bacterial resistance to nearly all β-lactam antibiotics. Here we address whether the high catalytic efficiency for hydrolysis of these diverse substrates is reflected by similar sequence and structural requirements for catalysis, i.e., whether the same catalytic machinery is used to achieve hydrolysis of each class. Deep sequencing of randomized single codon mutation libraries that were selected for resistance to representative antibiotics reveal stringent sequence requirements for carbapenem versus penicillin or cephalosporin hydrolysis. Further, the residue positions required for hydrolysis of penicillins and cephalosporins are a subset of those required for carbapenem hydrolysis. Thus, while a common core of residues is used for catalysis of all substrates, carbapenem hydrolysis requires an additional set of residues to achieve catalytic efficiency comparable to that for penicillins and cephalosporins.

59 BASIC BIOLOGICAL SCIENCES↗