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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Truncated forms of the prion protein PrP demonstrate the need for complexity in prion structure

Self-propagation of aberrant protein folds is the defining characteristic of prions. Knowing the structural basis of self-propagation is essential to understanding prions and their related diseases. Prion rods are amyloid fibrils, but not all amyloids are prions. Prions have been remarkably intractable to structural studies, so many investigators have preferred to work with peptide fragments, particularly in the case of the mammalian prion protein PrP. We compared the structures of a number of fragments of PrP by X-ray fiber diffraction, and found that although all of the peptides adopted amyloid conformations, only the larger fragments adopted conformations that modeled the complexity of self-propagating prions, and even these fragments did not always adopt the PrP structure. It appears that the relatively complex structure of the prion form of PrP is not accessible to short model peptides, and that self-propagation may be tied to a level of structural complexity unobtainable in simple model systems. The larger fragments of PrP, however, are useful to illustrate the phenomenon of deformed templating (heterogeneous seeding), which has important biological consequences.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2017

Baseline-Subtraction-Free (BSF) Damage-Scattered Wave Extraction for Stiffened Isotropic Plates

Lamb waves enable long distance inspection of structures for health monitoring purposes. However, this capability is diminished when applied to complex structures where damage-scattered waves are often buried by scattering from various structural components or boundaries in the time-space domain. Here, a baseline-subtraction-free (BSF) inspection concept based on the Radon transform (RT) is proposed to identify and separate these scattered waves from those scattered by damage. The received time-space domain signals can be converted into the Radon domain, in which the scattered signals from structural components are suppressed into relatively small regions such that damage-scattered signals can be identified and extracted. In this study, a piezoelectric wafer and a linear scan via laser Doppler vibrometer (LDV) were used to excite and acquire the Lamb-wave signals in an aluminum plate with multiple stiffeners. Linear and inverse linear Radon transform algorithms were applied to the direct measurements. The results demonstrate the effectiveness of the Radon transform as a reliable extraction tool for damage-scattered waves in a stiffened aluminum plate and also suggest the possibility of generalizing this technique for application to a wide variety of complex, large-area structures.

He, Jiaze↗
DOE OSTI2022

3D Printed Carbon Aerogels for Polymer-Electrolyte Fuel Cells

Carbon aerogels (CA) are known for ultra-low density, very high surface area, fine porous structure, and excellent electrical conductivity. Recent advances in high resolution 3D printing at LLNL enable the manufacturing of complex structured CA electrodes which have been demonstrated in electrolysis, flow battery, and supercapacitor applications. Polymer-electrolyte fuel cells (PEFC) may be an excellent candidate for these materials/methods as designers seek to optimize membrane-electrode assemblies to achieve higher efficiencies. A major challenge to PEFC design is two-phase flow due to water production which causes pore flooding and leads to cell instability and degradation. To mitigate these effects, groups have investigated the creation of liquid specific pathways in the porous layers to alleviate liquid buildup and enhance gas diffusion. While some progress has been made, traditionally manufactured GDLs, which consist of randomly distributed carbon fibers, are limiting. 3D printed CAs are a promising solution as complex macroporous electrode structures can be manufactured out of micro and nano porous filaments with a high level of control. Additionally, the process may allow for the consolidation of multiple layers (MPL, GDL, & flow channels) into a single printed architecture. In this work various CA lattice structures were printed using a direct ink write (DIW) method and liquid breakthrough pressures were measured to demonstrate the ability to tune the water pathways to achieve specific pressure thresholds. Furthermore, a discussion of the prospects for printed CA electrodes in PEFC will focus on material properties, synthesis techniques, and current challenges.

36 MATERIALS SCIENCE↗
DOE OSTI2014

THE ARIZONA RADIO OBSERVATORY CO MAPPING SURVEY OF GALACTIC MOLECULAR CLOUDS. IV. THE NGC 1333 CLOUD IN PERSEUS IN CO J = 2-1 AND {sup 13}CO J = 2-1

We mapped the NGC 1333 section of the Perseus Molecular Cloud in the J = 2-1 emission lines of {sup 12}CO and {sup 13}CO over a 50' × 60' region (3.4 × 4.1 pc at the cloud distance of 235 pc), using the Arizona Radio Observatory Heinrich Hertz Submillimeter Telescope. The angular resolution is 38'' (0.04 pc) and velocity resolution is 0.3 km s{sup –1}. We compare our velocity moment maps with known positions of young stellar objects (YSOs) and (sub)millimeter dust continuum emission. The CO emission is brightest at the center of the cluster of YSOs, but is detected over the full extent of the mapped region at ≥10 × rms. The morphology of the CO channel maps shows a kinematically complex structure, with many elongated features extending from the YSO cluster outward by ∼1 pc. One notable feature appears as a narrow serpentine structure that curves and doubles back, with a total length of ∼3 pc. The {sup 13}CO velocity channel maps show evidence for many low-density cavities surrounded by partial shell-like structures, consistent with previous studies. Maps of the velocity moments show localized effects of bipolar outflows from embedded YSOs, as well as a large-scale velocity gradient around the central core of YSOs, suggestive of large-scale turbulent cloud motions determining the location of current star formation. The CO/{sup 13}CO intensity ratios show the distribution of the CO opacity, which exhibits a complex kinematic structure. Identified YSOs are located mainly at the positions of greatest CO opacity. The maps are available for download as FITS files.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7

Deubiquitinating enzymes (DUBs) have garnered significant attention as drug targets in the last 5–10 years. The excitement stems in large part from the powerful ability of DUB inhibitors to promote degradation of oncogenic proteins, especially proteins that are challenging to directly target but which are stabilized by DUB family members. Highly optimized and well-characterized DUB inhibitors have thus become highly sought after tools. Most reported DUB inhibitors, however, are polypharmacological agents possessing weak (micromolar) potency toward their primary target, limiting their utility in target validation and mechanism studies. Due to a lack of high-resolution DUB∙small-molecule ligand complex structures, no structure-guided optimization efforts have been reported for a mammalian DUB. In this paper, we report a small-molecule∙ubiquitin-specific protease (USP) family DUB co-structure and rapid design of potent and selective inhibitors of USP7 guided by the structure. Interestingly, the compounds are non-covalent active-site inhibitors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Structures of neurexophilin–neurexin complexes reveal a regulatory mechanism of alternative splicing

Neurexins are presynaptic, cell-adhesion molecules that specify the functional properties of synapses via interactions with trans-synaptic ligands. Neurexins are extensively alternatively spliced at six canonical sites that regulate multifarious ligand interactions, but the structural mechanisms underlying alternative splicing-dependent neurexin regulation are largely unknown. Here, we determined high-resolution structures of the complex of neurexophilin-1 and the second laminin/neurexin/sex-hormone-binding globulin domain (LNS2) of neurexin-1 and examined how alternative splicing at splice site #2 (SS2) regulates the complex. Our data reveal a unique, extensive, neurexophilin–neurexin binding interface that extends the jelly-roll β-sandwich of LNS2 of neurexin-1 into neurexophilin-1. The SS2A insert of LNS2 augments this interface, increasing the binding affinity of LNS2 for neurexophilin-1. Taken together, our data reveal an unexpected architecture of neurexophilin–neurexin complexes that accounts for the modulation of binding by alternative splicing, which in turn regulates the competition of neurexophilin for neurexin binding with other ligands.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Mechanisms of proton relay and product release by Class A β-lactamase at ultrahigh resolution

The beta-lactam antibiotics inhibit penicillin-binding proteins (PBPs) by forming a stable, covalent, acyl-enzyme complex. During the evolution from PBPs to Class A beta-lactamases, the beta-lactamases acquired Glu166 to activate a catalytic water and cleave the acyl-enzyme bond. Here we present three product complex crystal structures of CTX-M-14 Class A beta-lactamase with a ruthenocene-conjugated penicillin-a 0.85 angstrom resolution structure of E166A mutant complexed with the penilloate product, a 1.30 angstrom resolution complex structure of the same mutant with the penicilloate product, and a 1.18 angstrom resolution complex structure of S70G mutant with a penicilloate product epimer-shedding light on the catalytic mechanisms and product inhibition of PBPs and Class A beta-lactamases. The E166A-penilloate complex captured the hydrogen bonding network following the protonation of the leaving group and, for the first time, unambiguously show that the ring nitrogen donates a proton to Ser130, which in turn donates a proton to Lys73. These observations indicate that in the absence of Glu166, the equivalent lysine would be neutral in PBPs and therefore capable of serving as the general base to activate the catalytic serine. Together with previous results, this structure suggests a common proton relay network shared by Class A beta-lactamases and PBPs, from the catalytic serine to the lysine, and ultimately to the ring nitrogen. Additionally, the E166A-penicilloate complex reveals previously unseen conformational changes of key catalytic residues during the release of the product, and is the first structure to capture the hydrolyzed product in the presence of an unmutated catalytic serine.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2014

An Intrinsic Fiber-Optic Sensor for Structure Lightning Current Measurement

An intrinsic optical-fiber sensor based on Faraday Effect is developed that is highly suitable for measuring lightning current on aircraft, towers and complex structures. Originally developed specifically for aircraft installations, it is light-weight, non-conducting, structure conforming, and is immune to electromagnetic interference, hysteresis and saturation. It can measure total current down to DC. When used on lightning towers, the sensor can help validate other sensors and lightning detection network measurements. Faraday Effect causes light polarization to rotate when the fiber is exposed to a magnetic field in the direction of light propagation. Thus, the magnetic field strength can be determined from the light polarization change. By forming closed fiber loops and applying Ampere's law, measuring the total light rotation yields the total current enclosed. A broadband, dual-detector, reflective polarimetric scheme allows measurement of both DC component and AC waveforms with a 60 dB dynamic range. Two systems were built that are similar in design but with slightly different sensitivities. The 1310nm laser system can measure 300 A - 300 kA, and has a 15m long sensing fiber. It was used in laboratory testing, including measuring current on an aluminum structure simulating an aircraft fuselage or a lightning tower. High current capabilities were demonstrated up to 200 kA at a lightning test facility. The 1550nm laser system can measure 400 A - 400 kA and has a 25m fiber length. Used in field measurements, excellent results were achieved in the summer of 2012 measuring rocket-triggered lightning at the International Center for Lightning Research and Testing (ICLRT), Camp Blanding, Florida. In both systems increased sensitivity can be achieved with multiple fiber loops. The fiber optic sensor provides many unique capabilities not currently possible with traditional sensors. It represents an important new tool for lightning current measurement where low weight, complex shapes, large structure dimension, large current, and low frequency capabilities are important considerations.

Nguyen, Truong X.↗
NASA NTRS2003

Coronagraphic Observations of Optically Thin Debris Disks

We present the first observations of the debris disks around HD141569A and HD100546 made with the Advanced Camera for Surveys (ACS) Coronagraph. Both HD141569A and HD100546 are known to possess circumstellar disks with complex structures. HD141569A's disk was shown to exhibit a a gap from NICMOS observations, while HD100546 has been shown to exhibit a disk with spiral structure (Grady et al. 2001). The ACS observations were made as part of the GTO program to study the formation of planetary systems. The performance of the ACS Coronagraph meets pre-launch expectations, and allows us to achieve images with both unparalleled contrast and, a fully-sampled point spread function. We will present new, multi-color images of each object obtained with the F435W, F606W and F814W filters. These images present a significant improvement over the previous observations with NICMOS and STIS. We fully resolve the complex spiral structures observed within these disks and determine the true angular extent of the disks. Disk properties including color variations, disk asymmetries and morphology are determined. We discuss the formation history of these disks in the light of our new observations and review the evidence for the possibility that the systems harbor planets.

Clampin, Mark↗
DOE OSTI2019

Irradiation effects of medium-entropy alloy NiCoCr with and without pre-indentation

Medium entropy alloy NiCoCr draws great attention due to its excellent strength-ductility trade-off mechanical behavior. Its irradiation behavior at elevated temperatures has been investigated using ion beam irradiation in a temperature range of 420–580°C and transmission electron microscopy. Irradiation induced stacking fault tetrahedra were only observed at 420°C. With increasing irradiation temperature, all stacking fault tetrahedra vanished, while the size of voids and dislocation loops increased significantly. Nanoindentation-induced structural complexities, including dislocations, stacking faults and twins helped to reduce void swelling. However, at the elevated temperatures, NiCoCr is still much more susceptible to void swelling compared to high entropy alloys such as NiCoFeCrMn and NiCoFeCrPd.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Coronagraphic Observations of Optically Thin Debris Disks

We present the first observations of the debris disks around HD141569A and HD100546 made with the Advanced Camera for Surveys (ACS) Coronagraph. Both HD141569A and HD100546 are known to possess circumstellar disks with complex structures. HD141569A's disk was shown to exhibit a a gap from NICMOS observations (Weinberger et ai. 1999), while HD100546 has been shown to exhibit a disk with spiral strucure (Grady et ai. 2001). The ACS observations were made as part of the GTO program to study the formation of planetary systems. The performance of the ACS Coronagraph meets pre-launch expectations, and allows us t o achieve images with both unparalleled contrast and, a fully-sampled point spread function. We will present new, multi-color images of each object obtained with the F435W, F606W and F814W filters. These images present a significant improvement over the previous observations with NICMOS and STIS. We fully resolve the complex spiral structures observed within these disks and determine the true angular extent of the disks. Disk properties including color variations, disk asymmetries and morphology are determined. We discuss the formation history of these disks in the light of,our new observations and review the evidence for the possibility that the systems harbor planets.

Clampin, Mark↗
DOE OSTI2019

Non-proteinaceous hydrolase comprised of a phenylalanine metallo-supramolecular amyloid-like structure

Enzymatic activity is crucial for various technological applications, yet the complex structures and limited stability of enzymes often hinder their use. Hence, de novo design of robust biocatalysts that are much simpler than their natural counterparts and possess enhanced catalytic activity has long been a goal in biotechnology. Here, we present evidence for the ability of a single amino acid to self-assemble into a potent and stable catalytic structural entity. Spontaneously, phenylalanine (F) molecules coordinate with zinc ions to form a robust, layered, supramolecular amyloid-like ordered architecture (F–Zn(ii)) and exhibit remarkable carbonic anhydrase-like catalytic activity. Furthermore, amongst the reported artificial biomolecular hydrolases, F–Zn(ii) displays the lowest molecular mass and highest catalytic efficiency, in addition to reusability, thermal stability, substrate specificity, stereoselectivity and rapid catalytic CO 2 hydration ability. Thus, this report provides a rational path towards future de novo design of minimalistic biocatalysts for biotechnological and industrial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Computational structural mechanics: A new activity at the NASA Langley Research Center

Complex structures considered for the late 1980's and early 1990's include composite primary aircraft structures and the space station. These structures are much more difficult to analyze than today's structures and necessitate a major upgrade in computerized structural analysis technology. A major research activity in computational structural mechanics (CSM) was initiated. The objective of the CSM activity is develop advanced structural analysis technology that will exploit modern and emerging computers such as computers with vector and/or parallel processing capabilities. The three main research activities underway in CSM include: (1) structural analysis methods development; (2) a software testbed for evaluating the methods; and (3) numerical techniques for parallel processing computers. The motivation and objectives of the CSM activity are presented and CSM activity is described. The current CSM research thrusts, and near and long term CSM research thrusts are outlined.

Knight, N. F., Jr.↗
DOE OSTI2014

Quantum Mechanical Metric for Internal Cohesion in Cement Crystals

Calcium silicate hydrate (CSH) is the main binding phase of Portland cement, the single most important structural material in use worldwide. Due to the complex structure and chemistry of CSH at various length scales, the focus has progressively turned towards its atomic level comprehension. We study electronic structure and bonding of a large subset of the known CSH minerals. Our results reveal a wide range of contributions from each type of bonding, especially hydrogen bonding, which should enable critical analysis of spectroscopic measurements and construction of realistic C-S-H models. We find the total bond order density (TBOD) as the ideal overall metric for assessing crystal cohesion of these complex materials and should replace conventional measures such as Ca:Si ratio. A rarely known orthorhombic phase Suolunite is found to have higher cohesion (TBOD) in comparison to Jennite and Tobermorite, which are considered the backbone of hydrated Portland cement.

Science & Technology - Other Topics↗
NASA NTRS2004

DNA in a Tunnel: A Comfy Spot for Recognition - or -The Structure of BsoBI Complexed with DNA. What can we Learn about Function via Structure Determination and how can this be Applied to Bone or Muscle Biology?

The structure and function of a biologically active molecule are related. To understand its function, it is necessary (but not always sufficient) to know the structure of the molecule. There are many ways of relating the molecular function with the structure. Mutation analysis can identify pertinent amino acids of an enzyme, or alternatively structure comparison of the of two similar molecules with different function may lead to understanding which parts are responsible for a functional aspect, or a series of "structural cartoons" - enzyme structure, enzyme plus substrate, enzyme with transition state analog, and enzyme with product - may give insight in the function of a molecule. As an example we will discuss the structure and function of the restriction enzyme BsoBI from Bacillus stearothemzophilus in complex with its cognate DNA. The enzyme forms a unique complex with DNA in that it completely encircles the DNA. The structure reveals the enzyme-DNA contacts, how the DNA is distorted compared with the canonical forms, and elegantly shows how two distinct DNA sequences can be recognized with the same efficiency. Based on the structure we may also propose a hypothesis how the enzymatic mechanism works. The knowledge gained thru studies such as this one can be used to alter the function by changing the molecular structure. Usually this is done by design of inhibitors specifically active against and fitting into an active site of the enzyme of choice. In the case of BsoBI one of the objectives of the study was to alter the enzyme specificity. In bone biology there are many candidates available for molecular study in order to explain, alter, or (temporarily) suspend activity. For example, the understanding of a pathway that negatively regulates bone formation may be a good target for drug design to stimulate bone formation and have good potential as the basis for new countermeasures against bone loss. In principle the same approach may aid muscle atrophy, radiation damage, immune response changes and other risks identified for long-duration Space travel.

vanderWoerd, Mark↗