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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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NASA NTRS2023

Design of a Minimal di-Nickel Hydrogenase Peptide

The most ancient processes for energy production in the evolution of life involve the reversible oxidation of molecular hydrogen by hydrogenase. Extant hydrogenase enzymes are complex, comprising hundreds of amino acids and multiple cofactors. We designed a 13 amino acid nickel-binding peptide capable of robustly producing molecular hydrogen from protons under a wide variety of conditions. The peptide forms a di-nickel cluster structurally analogous to a Ni-Fe cluster in [NiFe]-hydrogenase and the Ni-Ni cluster in acetyl-CoA synthase (ACS), two ancient, extant proteins central to metabolism. These experimental results clearly demonstrate that modern enzymes, despite their enormous complexity, likely evolved from simple peptide precursors on early Earth. One Sentence Summary: Small metal-binding peptides were the likely precursors of modern enzymes.

Joshua A. Mancini↗
NASA NTRS1981

X-ray sources in globular clusters

The Einstein X-ray Observatory globular cluster observation program has completed a survey of 30 clusters, using the HRI detector. Preliminary results are reported for a more sensitive survey being conducted with the imaging proportional counter (IPC) of the satellite, which has found four possible new sources in the first 32 clusters observed. Also described are detailed studies of several luminous, globular cluster sources, including the X-ray burst from Terzan 2, and an effort is made to locate the X-ray sources with respect to cluster centers. Sources of systematic error, required optical studies of globular cluster structure, and the implications of the plausible binary systems for cluster core evolution are discussed.

Grindlay, J. E.↗
NASA NTRS2013

Shock Heating of the Merging Galaxy Cluster A521

A521 is an interacting galaxy cluster located at z = 0.247, hosting a low-frequency radio halo connected to an eastern radio relic. Previous Chandra observations hinted at the presence of an X-ray brightness edge at the position of the relic, which may be a shock front. We analyze a deep observation of A521 recently performed with XMM-Newton in order to probe the cluster structure up to the outermost regions covered by the radio emission. The cluster atmosphere exhibits various brightness and temperature anisotropies. In particular, two cluster cores appear to be separated by two cold fronts. We find two shock fronts, one that was suggested by Chandra and that is propagating to the east, and another to the southwestern cluster outskirt. The two main interacting clusters appear to be separated by a shock-heated region, which exhibits a spatial correlation with the radio halo. The outer edge of the radio relic coincides spatially with a shock front, suggesting that this shock is responsible for the generation of cosmic-ray electrons in the relic. The propagation direction and Mach number of the shock front derived from the gas density jump, M = 2.4 +/- 0.2, are consistent with expectations from the radio spectral index, under the assumption of Fermi I acceleration mechanism.

Bourdin, H.↗
NASA NTRS2019

Size and Structure of the Sequence Space of Repeat Proteins

The coding space of protein sequences is shaped by evolutionary constraints set by requirements of function and stability. We show that the coding space of a given protein family— the total number of sequences in that family—can be estimated using models of maximum entropy trained on multiple sequence alignments of naturally occurring amino acid sequences. We analyzed and calculated the size of three abundant repeat proteins families, whose members are large proteins made of many repetitions of conserved portions of *30 amino acids. While amino acid conservation at each position of the alignment explains most of the reduction of diversity relative to completely random sequences, we found that correlations between amino acid usage at different positions significantly impact that diversity. We quantified the impact of different types of correlations, functional and evolutionary, on sequence diversity. Analysis of the detailed structure of the coding space of the families revealed a rugged landscape, with many local energy minima of varying sizes with a hierarchical structure, reminiscent of frustrated energy landscapes of spin glass in physics. This clustered structure indicates a multiplicity of subtypes within each family and suggests new strategies for protein design.

Jacopo Marchi↗
NASA NTRS2002

Disentangling Structures in the Cluster of Galaxies Abell 133

A dynamical analysis of the structure of the cluster of galaxies Abell 133 will be presented using multi-wavelength data combined from multiple space and earth based observations. New and familiar statistical clustering techniques are used in combination in an attempt to gain a fully consistent picture of this interesting nearby cluster of galaxies. The type of analysis presented should be typical of cluster studies in the future, especially those to come from the surveys like the Sloan Digital Sky Survey and the 2DF.

Way, Michael J.↗
NASA NTRS1993

X ray archeology in the Coma cluster

Images of X-ray emission from hot gas within the Coma cluster of galaxies are presented. These maps, made with the Rosat satellite, have high signal to noise ratio and allow cluster structure to be analyzed in unprecedented detail. They show greater structural irregularity than could be anticipated from earlier observations of Coma. Emission is detected from a number of bright cluster galaxies in addition to the two known previously. In four cases there is evidence that these galaxies lie at the center of an extended subconcentration within the cluster, possibly the remnant of their associated groups. For at least two galaxies the images show direct evidence for ongoing disruption of their gaseous atmosphere. The luminosity associated with these galaxies is comparable to that detected around similar ellipticals in much poorer environments. Emission is easily detected and appears to become more regular at large radii. The data show that this archetype of a rich and regular galaxy cluster was formed by the merging of several distinct subunits which are not yet fully destroyed.

White, Simon D. M.↗
NASA NTRS1993

X-ray archaeology in the Coma cluster

We present images of X-ray emission from hot gas within the Coma cluster of galaxies. These maps, made with the ROSAT satellite, have much higher SNR than any previous X-ray image of a galaxy cluster, and allow cluster structure to be analyzed in unprecedented detail. They show greater structural irregularity than might have been anticipated from earlier observations of Coma. Emission is detected from a number of bright cluster galaxies in addition to the two known previously. In four cases, there is evidence that these galaxies lie at the center of an extended subconcentration within the cluster, possibly the remnant of their associated groups. For at least two galaxies, the images show direct evidence for ongoing disruption of their gaseous atmosphere. The luminosity associated with these galaxies is comparable to that detected around similar ellipticals in much poorer environments. Emission is easily detected to the limit of our field, about 1 deg from the cluster center, and appears to become more regular at large radii. The data show clearly that this archetype of a rich and regular galaxy cluster was, in fact, formed by the merging of several distinct subunits which are not yet fully destroyed.

White, Simon D. M.↗
NASA NTRS1993

On the effects of cluster density and concentration on the horizontal branch morphology - The origin of the blue tails

Possible relationships between horizontal branch (HB) morphology in Galactic globular clusters and the cluster structure and dynamical evolution are investigated. New HB observables are defined and determined using a theoretical framework deduced from HB models. Data for 53 Galactic globular clusters are used to obtain correlations between the observables. It is found that the net length of the HB and the presence and extent of blue tails in particular are correlated with the cluster density and concentrations, in the sense of more concentrated or denser clusters having bluer and longer HB morphologies. This effect is especially strong for the intermediate metallicity clusters. Thus, the cluster environment can affect the stellar evolution leading to the HB and therefore the HB morphology. This result is interpreted in terms of an enhanced mass removal from the HB progenitors.

Fusi Pecci, F.↗
NASA NTRS2003

Sub-problem Optimization With Regression and Neural Network Approximators

Design optimization of large systems can be attempted through a sub-problem strategy. In this strategy, the original problem is divided into a number of smaller problems that are clustered together to obtain a sequence of sub-problems. Solution to the large problem is attempted iteratively through repeated solutions to the modest sub-problems. This strategy is applicable to structures and to multidisciplinary systems. For structures, clustering the substructures generates the sequence of sub-problems. For a multidisciplinary system, individual disciplines, accounting for coupling, can be considered as sub-problems. A sub-problem, if required, can be further broken down to accommodate sub-disciplines. The sub-problem strategy is being implemented into the NASA design optimization test bed, referred to as "CometBoards." Neural network and regression approximators are employed for reanalysis and sensitivity analysis calculations at the sub-problem level. The strategy has been implemented in sequential as well as parallel computational environments. This strategy, which attempts to alleviate algorithmic and reanalysis deficiencies, has the potential to become a powerful design tool. However, several issues have to be addressed before its full potential can be harnessed. This paper illustrates the strategy and addresses some issues.

Guptill, James D.↗
NASA NTRS1995

Wavelet transform analysis of the small-scale X-ray structure of the cluster Abell 1367

We have developed a new technique based on a wavelet transform analysis to quantify the small-scale (less than a few arcminutes) X-ray structure of clusters of galaxies. We apply this technique to the ROSAT position sensitive proportional counter (PSPC) and Einstein high-resolution imager (HRI) images of the central region of the cluster Abell 1367 to detect sources embedded within the diffuse intracluster medium. In addition to detecting sources and determining their fluxes and positions, we show that the wavelet analysis allows a characterization of the sources extents. In particular, the wavelet scale at which a given source achieves a maximum signal-to-noise ratio in the wavelet images provides an estimate of the angular extent of the source. To account for the widely varying point response of the ROSAT PSPC as a function of off-axis angle requires a quantitative measurement of the source size and a comparison to a calibration derived from the analysis of a Deep Survey image. Therefore, we assume that each source could be described as an isotropic two-dimensional Gaussian and used the wavelet amplitudes, at different scales, to determine the equivalent Gaussian Full Width Half-Maximum (FWHM) (and its uncertainty) appropriate for each source. In our analysis of the ROSAT PSPC image, we detect 31 X-ray sources above the diffuse cluster emission (within a radius of 24 min), 16 of which are apparently associated with cluster galaxies and two with serendipitous, background quasars. We find that the angular extents of 11 sources exceed the nominal width of the PSPC point-spread function. Four of these extended sources were previously detected by Bechtold et al. (1983) as 1 sec scale features using the Einstein HRI. The same wavelet analysis technique was applied to the Einstein HRI image. We detect 28 sources in the HRI image, of which nine are extended. Eight of the extended sources correspond to sources previously detected by Bechtold et al. Overall, using both the PSPC and the HRI observations, we detect 16 extended features, of which nine have galaxies coincided with the X-ray-measured positions (within the positional error circles). These extended sources have luminosities lying in the range (3 - 30) x 10(exp 40) ergs/s and gas masses of approximately (1 - 30) x 10(exp 9) solar mass, if the X-rays are of thermal origin. We confirm the presence of extended features in A1367 first reported by Bechtold et al. (1983). The nature of these systems remains uncertain. The luminosities are large if the emission is attributed to single galaxies, and several of the extended features have no associated galaxy counterparts. The extended features may be associated with galaxy groups, as suggested by Canizares, Fabbiano, & Trinchieri (1987), although the number required is large.

Grebeney, S. A.↗
NASA NTRS1980

Effect of three-body interactions on the structure of small clusters

Minimum energy configurations of microclusters (up to six atoms) have been calculated using two- and three-body interactions. Structural changes were parametrically analyzed as a function of the intensity of three-body forces. The results are qualitative in nature; they indicate, however, that three-body interactions play an important role in the equilibrium structure of microclusters. The effect of the intensity of the three-body interactions on the structure of small clusters is not manifested in a continuous manner. Rather, changes in the energetically most stable structure occur abruptly. The results are in qualitative agreement with experimental observations as well as other calculations.

Halicioglu, T.↗
NASA NTRS1983

X-ray sources of cosmological relevance

The results of extragalactic observations made with the imaging proportional counter (IPC) on board the Einstein Observatory satellite are reported. Quasars were found to be strong X ray sources with correlations between the X ray and optical luminosities; strong radio emissions also correlated well with X ray luminosities. The data indicate that the ratio of the X ray and optical luminosities is inversely proportional to the optical luminosity. Active galactic nuclei are also strong X ray sources. A continuity exists between the X ray behavior of Seyfert galaxies and quasars, while BL Lac objects exhibit X ray variability exceeding that of quasars, although some BL Lac objects may be quasars. The X ray data revealed evolutionary phases in galactic cluster structures.

Maccacaro, T.↗
NASA NTRS1985

Intensities of high-energy cosmic rays at Mount Kanbala

General features of family events with Summary E sub gamma 200 TeV, observed by the emulsion chambers at Mt. Kanbala, are presented in comparison with the Monte Carlo simulation. The lateral and cluster structure, and the energy spectra of constituent gamma-rays and hadrons are shown to be consistent with the Monte Carlo results calculated under the assumption of heavy-enriched primary, scaling, QCD jets and increasing cross-section.

Ren, J. R.↗
NASA NTRS1990

Compound-specific isotopic analyses: a novel tool for reconstruction of ancient biogeochemical processes

Patterns of isotopic fractionation in biogeochemical processes are reviewed and it is suggested that isotopic fractionations will be small when substrates are large. If so, isotopic compositions of biomarkers will reflect those of their biosynthetic precursors. This prediction is tested by consideration of results of analyses of geoporphyrins and geolipids from the Greenhorn Formation (Cretaceous, Western Interior Seaway of North America) and the Messel Shale (Eocene, lacustrine, southern Germany). It is shown (i) that isotopic compositions of porphyrins that are related to a common source, but which have been altered structurally, cluster tightly and (ii) that isotopic differences between geolipids and porphyrins related to a common source are equal to those observed in modern biosynthetic products. Both of these observations are consistent with preservation of biologically controlled isotopic compositions during diagenesis. Isotopic compositions of individual compounds can thus be interpreted in terms of biogeochemical processes in ancient depositional environments. In the Cretaceous samples, isotopic compositions of n-alkanes are covariant with those of total organic carbon, while delta values for pristane and phytane are covariant with those of porphyrins. In this unit representing an open marine environment, the preserved acyclic polyisoprenoids apparently derive mainly from primary material, while the extractable, n-alkanes derive mainly from lower levels of the food chain. In the Messel Shale, isotopic compositions of individual biomarkers range from -20.9 to -73.4% vs PDB. Isotopic compositions of specific compounds can be interpreted in terms of origin from methylotrophic, chemautotrophic, and chemolithotrophic microorganisms as well as from primary producers that lived in the water column and sediments of this ancient lake.

Non-NASA Center↗
NASA NTRS2004

Effects of Cloud-Microphysics on Tropical Atmospheric Hydrologic Processes in the GEOS GCM

The sensitivity of tropical atmospheric hydrologic processes to cloud-microphysics is investigated using the NASA GEOS GCM. Results show that a faster autoconversion - rate produces more warm rain and less clouds at all levels. Fewer clouds enhances longwave cooling and reduces shortwave heating in the upper troposphere, while more warm rain produces increased condensation heating in the lower troposphere. This vertical heating differential destablizes the tropical atmosphere, producing a positive feedback resulting in more rain over the tropics. The feedback is maintained via a two-cell secondary circulation. The lower cell is capped by horizontal divergence and maximum cloud detrainment near the melting/freezing, with rising motion in the warm rain region connected to descending motion in the cold rain region. The upper cell is found above the freezing/melting level, with longwave-induced subsidence in the warm rain and dry regions, coupled to forced ascent in the deep convection region. The tropical large scale circulation is found to be very sensitive to the radiative-dynamic effects induced by changes in autoconversion rate. Reduced cloud-radiation processes feedback due to a faster autoconversion rate results in intermittent but more energetic eastward propagating Madden and Julian Oscillations (MJO). Conversely,-a slower autconversion rate, with increased cloud radiation produces MJO's with more realistic westward propagating transients, resembling a supercloud cluster structure. Results suggests that warm rain and associated low and mid level clouds, i.e., cumulus congestus, may play a critical role in regulating the time-intervals of deep convections and hence the fundamental time scales of the MJO.

Lau, K. M.↗
NASA NTRS1986

Stability and structure of metal clusters - Be(13) and Be(55)

Face-centered cubic (fcc) and hexagonally close-packed (hcp) structures are compared for Be(13) and Be(55) clusters. Both Be(13) and Be(55) prefer the fcc structure over the bulk hcp structure, but the energy difference per atom decreases for Be(55) relative to Be(13). The binding energy per atom, 1.3 eV for Be(55) and 0.8-0.9 eV for Be(13), reflects the greater total number of bonds in the larger cluster rather than a difference in bonding. The energies per bond are much more similar, in the range of 0.30-0.34 eV for both clusters. The size of the p-basis set used influences both stability and ionization potentials strongly.

Pettersson, Lars G. M.↗
NASA NTRS1992

Radiative transfer theory for polarimetric remote sensing of pine forest

The radiative transfer theory is applied to interpret polarimetric radar backscatter from pine forest with clustered vegetation structures. To take into account the clustered structures with the radiative transfer theory, the scattering function of each cluster is calculated by incorporating the phase interference of scattered fields from each component. Subsequently, the resulting phase matrix is used in the radiative transfer equations to evaluate the polarimetric backscattering coefficients from random medium layers embedded with vegetation clusters. Upon including the multi-scale structures, namely, trunks, primary and secondary branches, as well as needles, we interpret and simulate the polarimetric radar responses from pine forest for different frequencies and looking angles. The preliminary results are shown to be in good agreement with the measured backscattering coefficients at the Landes maritime pine forest during the MAESTRO-1 experiment.

Hsu, C. C.↗