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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Structural and Functional Studies Indicate That the EPEC Effector, EspG, Directly Binds p21-Activated Kinase

Bacterial pathogens secrete effectors into their hosts that subvert host defenses and redirect host processes. EspG is a type three secretion effector with a disputed function that is found in enteropathogenic Escherichia coli. Here we show that EspG is structurally similar to VirA, a Shigella virulence factor; EspG has a large, conserved pocket on its surface; EspG binds directly to the amino-terminal inhibitory domain of human p21-activated kinase (PAK); and mutations to conserved residues in the surface pocket disrupt the interaction with PAK.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Phase transitions in strongly interacting matter

I discuss the phase structure of hadronic matter in terms of the basic dynamical and geometrical features of hadrons. Increasing the density of constituents of finite spatial extension, by increasing the temperature T or the baryochemical potential µ, eventually “fills the box” and eliminates the physical vacuum. The corresponding transition as function of T and µ can be determined through percolation theory. At low baryon density, this means a fusion of overlapping mesonic bags to one large bag, while at high baryon density, hard core repulsion restricts the spatial mobility of baryons. As a consequence, there are two distinct limiting regimes for hadronic matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1973

Basic failure mechanisms in advanced composites

The fundamental failure mechanisms which result from the interaction of thermal cycling and mechanical loading of carbon-epoxy composites were studied. This work was confined to epoxy resin uniderictionally reinforced with HTS carbon fibers, and consists of first identifying local fiber, matrix and interface failure mechanisms using the model composite specimen containing a small number of fibers so that optical techniques can be used for characterization. After the local fracture process has been established for both mechanical loading and thermal cycling, engineering composite properties and gross fracture modes are then examined to determine how the local events contribute to real composite performance. Flexural strength in high fiber content specimens shows an increase in strength with increased thermal cycling. Similar behavior is noted for 25 v/o material up to 200 cycles; however, there is a drastic reduction after 200 cycles indicating a major loss of integrity probably through the accumulation of local cleavage cracks in the tensile region.

Mazzio, V. F.↗
DOE OSTI2025

Nacre-like MXene/Polyacrylic Acid Layer-by-Layer Multilayers as Hydrogen Gas Barriers

MXenes are a promising class of 2D nanomaterials and are of particular interest for gas barrier applications due to their high aspect ratio. However, MXene nanosheets naturally bear a negative charge, which prevents assembly with negatively charged polymers, such as polyacrylic acid (PAA), into gas barrier coatings. Here, we present MXene- and PAA-based layer-by-layer (MXene/ PAA LbL) multilayers formed by leveraging hydrogen bonding interactions. When assembled in acidic conditions, MXene/PAA LbL multilayers exhibit conformal, pinhole-free, nacre-like structures. The MXene/PAA LbL multilayers yield high blocking capability and low permeability (0.14 ± 0.01 cc·mm·m −2 ·day −1 · MPa −1 ) for hydrogen gas which is over 9000 times lower than uncoated niobium (Nb) substrate. These nacre-like structures are also electronically conductive (σ DC , up to 370 ± 30 S cm −1 ). Because these multilayers utilize hydrogen bonding, their properties are highly sensitive to the pH of the assembly and its external environment. Specifically, the reversible deconstruction of these multilayers under basic conditions is experimentally verified. This study shows that hydrogen bonding interactions can be leveraged to form MXene LbL multilayers as gas barriers, electronically conductive coatings, and deconstructable thin films via pH control.

36 MATERIALS SCIENCE↗
NASA NTRS2016

Anthropomorphic Robot Design and User Interaction Associated with Motion

Though in its original concept a robot was conceived to have some human-like shape, most robots now in use have specific industrial purposes and do not closely resemble humans. Nevertheless, robots that resemble human form in some way have continued to be introduced. They are called anthropomorphic robots. The fact that the user interface to all robots is now highly mediated means that the form of the user interface is not necessarily connected to the robots form, human or otherwise. Consequently, the unique way the design of anthropomorphic robots affects their user interaction is through their general appearance and the way they move. These robots human-like appearance acts as a kind of generalized predictor that gives its operators, and those with whom they may directly work, the expectation that they will behave to some extent like a human. This expectation is especially prominent for interactions with social robots, which are built to enhance it. Often interaction with them may be mainly cognitive because they are not necessarily kinematically intricate enough for complex physical interaction. Their body movement, for example, may be limited to simple wheeled locomotion. An anthropomorphic robot with human form, however, can be kinematically complex and designed, for example, to reproduce the details of human limb, torso, and head movement. Because of the mediated nature of robot control, there remains in general no necessary connection between the specific form of user interface and the anthropomorphic form of the robot. But their anthropomorphic kinematics and dynamics imply that the impact of their design shows up in the way the robot moves. The central finding of this report is that the control of this motion is a basic design element through which the anthropomorphic form can affect user interaction. In particular, designers of anthropomorphic robots can take advantage of the inherent human-like movement to 1) improve the users direct manual control over robot limbs and body positions, 2) improve users ability to detect anomalous robot behavior which could signal malfunction, and 3) enable users to be better able to infer the intent of robot movement. These three benefits of anthropomorphic design are inherent implications of the anthropomorphic form but they need to be recognized by designers as part of anthropomorphic design and explicitly enhanced to maximize their beneficial impact. Examples of such enhancements are provided in this report. If implemented, these benefits of anthropomorphic design can help reduce the risk of Inadequate Design of Human and Automation Robotic Integration (HARI) associated with the HARI-01 gap by providing efficient and dexterous operator control over robots and by improving operator ability to detect malfunctions and understand the intention of robot movement.

automation/robotic integration↗
DOE OSTI2013

Nonbenzamidine acylsulfonamide tissue factor–factor VIIa inhibitors

Aminoisoquinoline and isoquinoline groups have successfully replaced the more basic P1 benzamidine group of an acylsulfonamide factor VIIa inhibitor. Inhibitory activity was optimized by the identification of additional hydrophobic and hydrophilic P' binding interactions. The molecular details of these interactions were elucidated by X-ray crystallography and molecular modeling. We also show that decreasing the basicity of the P1 group results in improved oral bioavailability in this chemotype.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A centralized resource for bacterial–fungal interactions research

Research on bacterial-fungal interactions (BFIs) has revealed that fungi and bacteria frequently interact with one another within diverse ecosystems and microbiomes. Assessing the current state of knowledge within the field of BFI research, particularly with respect to what interactions between bacteria and fungi have been previously described, is very challenging and time consuming. This is largely due to a lack of any centralized resource, with reports of BFIs being spread across publications in numerous journals using non-standardized text to describe the relationships. To address this issue, we have developed the BFI Research Portal, a publicly accessible database of previously reported interactions between bacterial and fungal taxa to serve as a centralized resource for the field. Users can query bacterial or fungal taxa to see what members from the other kingdom have been observed as interaction partners. Search results are accompanied by interactive and intuitive visual outputs, and the database is a dynamic resource that will be updated as new BFIs are reported.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Systematic mapping of the conformational landscape and dynamism of soluble fibrinogen

Background: Fibrinogen is a soluble, multisubunit, and multidomain dimeric protein, which, upon its proteolytic cleavage by thrombin, is converted to insoluble fibrin, initiating polymerization that substantially contributes to clot growth. Fibrinogen contains numerous, transiently accessible “cryptic” epitopes for hemostatic and immunologic proteins, suggesting that fibrinogen exhibits conformational flexibility, which may play functional roles in its temporal and spatial interactions. Hitherto, there have been limited integrative approaches characterizing the solution structure and internal flexibility of fibrinogen. Methods: Here, utilizing a multipronged, biophysical approach involving 2 solution-based techniques, temperature-dependent hydrogen-deuterium exchange mass spectrometry and small angle X-ray scattering, corroborated by negative stain electron microscopy, we present a holistic, conformationally dynamic model of human fibrinogen in solution. Results: Our data reveal 4 major and distinct conformations of fibrinogen accommodated by a high degree of internal protein flexibility along its central scaffold. We propose that the fibrinogen structure in the solution consists of a complex, conformational landscape with multiple local minima. This is further supported by the location of numerous point mutations that are linked to dysfibrinogenemia and posttranslational modifications, residing near the identified fibrinogen flexions. Conclusion: Further, this work provides a molecular basis for the structural “dynamism” of fibrinogen that is expected to influence the broad swath of its functionally diverse macromolecular interactions and fine-tune the structural and mechanical properties of blood clots.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Convergent reductive evolution and host adaptation in Mycoavidus bacterial endosymbionts of Mortierellaceae fungi

Intimate associations between fungi and intracellular bacterial endosymbionts are becoming increasingly well understood. Phylogenetic analyses demonstrate that bacterial endosymbionts of Mucoromycota fungi are related either to free-living Burkholderia or Mollicutes species. The so-called Burkholderia-related endosymbionts or BRE comprise Mycoavidus, Mycetohabitans and Candidatus Glomeribacter gigasporarum. These endosymbionts are marked by genome contraction thought to be associated with intracellular selection. However, the conclusions drawn thus far are based on a very small subset of endosymbiont genomes, and the mechanisms leading to genome streamlining are not well understood. The purpose of this study was to better understand how intracellular existence shapes Mycoavidus and BRE functionally at the genome level. To this end we generated and analyzed 14 novel draft genomes for Mycoavidus living within the hyphae of Mortierellomycotina fungi. We found that our novel Mycoavidus genomes were significantly reduced compared to free-living Burkholderiales relatives. Using a genome-scale phylogenetic approach including the novel and available existing genomes of Mycoavidus, we show that the genus is an assemblage composed of two independently derived lineages including three well supported clades of Mycoavidus. Using a comparative genomic approach, we shed light on the functional implications of genome reduction, documenting shared and unique gene loss patterns between the three Mycoavidus clades. We found that many endosymbiont isolates demonstrate patterns of vertical transmission and host-specificity, but others are present in phylogenetically disparate hosts. We discuss how reductive evolution and host specificity reflect convergent adaptation to the intrahyphal selective landscape, and commonalities of eukaryotic endosymbiont genome evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Defects clustering and ordering in di- and trivalently doped ceria

Graphical abstract: Display Omitted Highlights: ► Defect structures in trivalently and divalently doped ceria has been elucidated. ► Dumbbell structure is a universal basic vacancy structure in fluorite oxides. ► Electrostatic attraction dominates elastic interaction in doped ceria. ► Provide a physical picture of conductivity behavior in aliovalently doped ceria. -- Abstract: The formation and growth of defect clusters in CeO{sub 2}-M{sub 2}O{sub 3} (M = La{sup 3+}, Pr{sup 3+}, Sm{sup 3+}, Gd{sup 3+}, Dy{sup 3+}, Y{sup 3+}, Yb{sup 3+}) and CeO{sub 2}-DO (N = Cd{sup 2+}, Ca{sup 2+}, Sr{sup 2+}, Ba{sup 2+}) binary solid solutions have been comparatively studied by atomistic simulations based on energy minimization of atomic interactions. The calculation ensemble, including both divalent and trivalent dopants, shows a similar energetic tendency for defect species (dopants and associated oxygen vacancies) to aggregate and grow. The dumbbell structure has been verified as a universal vacancy structure in oxygen deficient fluorite lattice. Nevertheless, it also demonstrates different tendencies of dopant–vacancy associations that depend on dopant valence and radius. The dopant is site-selective in trivalent defect clusters correlated with dopant size. While in divalent solid solutions, clusters adopt similar dopant–vacancy locations. Furthermore, all clusters in divalently doped ceria have stronger dopant–vacancy associations/interactions compared to those in trivalent ones. As a consequence, the correlation of the dopant size as well as valence effects on oxygen-ion conductivity has been illustrated based on an ordered defect cluster model. This study thereby offers insight into the physical picture of ionic conductivity behavior experimentally obtained in aliovalently doped ceria.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase

Bacterial 5'-methylthioadenosine/ S -adenosylhomocysteine nucleosidase (MTAN) hydrolyzes adenine from its substrates to form S -methyl-5-thioribose and S -ribosyl- L -homocysteine. MTANs are involved in quorum sensing, menaquinone synthesis, and 5'-methylthioadenosine recycling to S -adenosylmethionine. Helicobacter pylori uses MTAN in its unusual menaquinone pathway, making H. pylori MTAN a target for antibiotic development. Human 5'-methylthioadenosine phosphorylase (MTAP), a reported anticancer target, catalyzes phosphorolysis of 5'-methylthioadenosine to salvage S -adenosylmethionine. Transition-state analogues designed for Hp MTAN and MTAP show significant overlap in specificity. Fifteen unique transition-state analogues are described here and are used to explore inhibitor specificity. We report several analogues of Hp MTAN bind in the picomolar range while inhibiting human MTAP with orders of magnitude weaker affinity. Structural analysis of Hp MTAN shows inhibitors extending through a hydrophobic channel to the protein surface. The more enclosed catalytic sites of human MTAP require the inhibitors to adopt a folded structure, displacing the phosphate nucleophile from the catalytic site.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Unfolding of globular polymers by external force

We examine the problem of a polymer chain, folded into a globule in poor solvent, subjected to a constant tensile force. Such a situation represents a Gibbs thermodynamic ensemble and is useful for analysing force-clamp atomic force microscopy measurements, now very common in molecular biophysics. Using a basic Flory mean-field theory, we account for surface interactions of monomers with solvent. Under an increasing tensile force, a first-order phase transition occurs from a compact globule to a fully extended chain, in an “all-or-nothing” unfolding event. This contrasts with the regime of imposed extension, first studied by Halperin and Zhulina [Europhys. Lett. 15, 417 (1991)], where there is a regime of coexistence of a partial globule with an extended chain segment. We relate the transition forces in this problem to the solvent quality and degree of polymerisation, and also find analytical expressions for the energy barriers present in the problem. Using these expressions, we analyse the kinetic problem of a force-ramp experiment and show that the force at which a globule ruptures depends on the rate of loading.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Electron spin resonance (ESR) of magnetic sublattices in Sc-substituted barium hexaferrite

The partial substitution of Fe{sup 3+} by Sc{sup 3+} in barium hexaferrite has shown to be an effective method to tailor anisotropy for many novel microwave applications. Some basic studies have revealed that this substitution leads to unusual interactions among the magnetic sublattices of the ferrite. In order to investigate these interactions, samples with formula BaSc{sub x}Fe{sub 12-x}O{sub 19} (1 ≤x ≤ 2) were prepared by sintering (1300°C, 6h). After structural characterization by x-ray diffraction, their ferromagnetic resonance spectra were measured in the X-band (9.4 GHz), in the 100-500 K temperature range. For x = 2, a single, broad resonance peak was observed at the low temperatures (103 K), exhibiting a progressive splitting into two peaks for increasing T, to finally coalesce again into a single (paramagnetic) narrow peak at 473 K. These results are interpreted in terms of a substitution of Fe{sup 3+} by Sc{sup 3+} ions in the 4f{sub vi} and 2b sublattices; the diamagnetic cations disrupt the superexchange interactions and produce a splitting of the 12k sublattice (which interacts directly with the 4f{sub vi} sublattice) into two sublattices with different canting angles, and different thermal dependence. As a result, the fraction of the 12k sublattices that are nearest neighbours of substituted 4f{sub vi} sites can behave as an independent sublattice for some temperature ranges. A similar behavior is observed for all the compositions with varying degrees of amplitude, but it is more evident for x = 2. A deconvolution of peaks has been attempted, in order to shed more light into this behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Deciphering the super relaxed state of human β-cardiac myosin and the mode of action of mavacamten from myosin molecules to muscle fibers

Mutations in β-cardiac myosin, the predominant motor protein for human heart contraction, can alter power output and cause cardiomyopathy. However, measurements of the intrinsic force, velocity, and ATPase activity of myosin have not provided a consistent mechanism to link mutations to muscle pathology. An alternative model posits that mutations in myosin affect the stability of a sequestered, super relaxed state (SRX) of the protein with very slow ATP hydrolysis and thereby change the number of myosin heads accessible to actin. Here we show that purified human β-cardiac myosin exists partly in an SRX and may in part correspond to a folded-back conformation of myosin heads observed in muscle fibers around the thick filament backbone. Mutations that cause hypertrophic cardiomyopathy destabilize this state, while the small molecule mavacamten promotes it. These findings provide a biochemical and structural link between the genetics and physiology of cardiomyopathy with implications for therapeutic strategies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

The Magellanic Stream and debris clouds

We present a study of the discrete clouds and filaments in the Magellanic Stream using a new high-resolution survey of neutral hydrogen (H I) conducted with the H75 array of the Australia Telescope Compact Array, complemented by single-dish data from the Parkes Galactic All-Sky Survey. From the individual and combined data sets, we have compiled a catalog of 251 clouds and listed their basic parameters, including a morphological description useful for identifying cloud interactions. We find an unexpectedly large number of head-tail clouds in the region. The implication for the formation mechanism and evolution is discussed. The filaments appear to originate entirely from the Small Magellanic Cloud and extend into the northern end of the Magellanic Bridge.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

The ATLAS Event Index: The Architecture of the Core Engine

The global view of the ATLAS Event Index system has been presented in the 17th ACAT Conference. This article concentrates on the architecture of the system core component. This component handles the final stage of the event metadata import. It organizes its storage and provides a fast and feature-rich access to all information. A user is able to interrogate metadata in various ways, including by executing user-provided code on the data to make selections and to interpret the results. A wide spectrum of clients is available, from a set of Linux-like commands to an interactive graphical Web Service. The stored event metadata contain the basic description of the related events, the references to the experiment event storage and the full trigger record and can be extended with other event characteristics. Derived collections of events can be created. Such collections can be annotated and tagged with further information.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗