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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Crystal structure of four-stranded Oxytricha telomeric DNA

The sequence d(GGGGTTTTGGGG) from the 3' overhang of the Oxytricha telomere has been crystallized and its three-dimensional structure solved to 2.5 A resolution. The oligonucleotide forms hairpins, two of which join to make a four-stranded helical structure with the loops containing four thymine residues at either end. The guanine residues are held together by cyclic hydrogen bonding and an ion is located in the centre. The four guanine residues in each segment have a glycosyl conformation that alternates between anti and syn. There are two four-stranded molecules in the asymmetric unit showing that the structure has some intrinsic flexibility.

NASA Discipline Exobiology↗
NASA NTRS2004

Intricate Crystal Structure of Dihydrolipoamide Dehydrogenase (E3) with its Binding Protein: Multiple Copies, Dynamic and Static Disorders

Human E3 and binding protein E3BP are two components of the pyruvate dehydrogenase complex. Crystallization of E3 with 221-amino acid fragment of E3BP (E3BPdd) led to crystals that diffracted to a resolution of 2.6 Angstroms. Structure determination involved molecular replacement using a dimer of E3 homolog as a search model and de novo building of the E3BPdd peptide. Solution was achieved by inclusion of one E3 dimer at a time, followed by refinement until five E3 dimers were located. This complete content of E3 provided electron density maps suitable for tracing nine peptide chains of E3BPdd, eight of them being identified with partial occupancies. Final content of the asymmetric unit consists of five E3 dimers, each binding one E3BPdd molecule. In four of these molecular complexes, E3BPdd is in static disorder resulting in E3BPdd binding to either one or the other monomer of the E3 dimer. However, E3BPdd of the fifth E3 dimer forms specific contacts that lock it at one monomer. In addition to this static disorder, E3BPdd reveals high mobility in the limited space of the crystal lattice. Support from NIH and NASA.

Makal, A.↗
NASA NTRS1972

Evidence of crystal structure in some sputtered MoS2 films.

Electron diffraction patterns and electron micrographs of molybdenum disulfide films sputtered on single-NaCl-crystal and electropolished-aluminum substrates are presented as evidence that crystalline MoS2 films can be sputtered onto various substrates in thicknesses up to 2 microns. Applied to Falex test pins and V-blocks, some of these films exhibited a wear life as long as 65 minutes at 1000 lb jaw load.

Lavik, M. T.↗
NASA NTRS1972

Elasticity of some mantle crystal structures. I - Pleonaste and hercynite spinel.

The elasticity of high-pressure mantle phases can be characterized by using data for chemically similar crystal compounds. The single-crystal elastic constants are determined as a function of pressure and temperature for pleonaste spinel and at room conditions for hercynite spinel. The bulk modulus increases from 1.95 Mb for pleonaste spinel to 2.10 Mb for hercynite spinel. Low or negative values of the pressure derivatives of shear constants are characteristic of the spinel structure and imply a low kinetic barrier to phase transformations and diffusion. Compressional and shear velocities of the spinel phase of olivine are estimated as a function of mean atomic weight by using the pleonaste and hercynite data.

Wang, H.↗
NASA NTRS1945

Table of interplanar spacings for crystal-structure determinations by X-ray diffraction with molybdenum, copper, cobalt, iron, and chromium radiations

For a simple diffraction pattern, the time required to calculate interplanar distances from measurements of the pattern is not excessive. If more than a few lines are present, however, or if several patterns are to be studied, it is very advantageous to have available a table giving interplanar spacings directly in terms of the linear measurements made on the film of the lines appearing on the diffraction pattern. The preparation of the table given here was undertaken when the expansion of research activities involving X-ray diffraction techniques indicated that such a table would greatly decrease the time required to analyze diffraction patterns. The table was prepared for use with K alpha(sub 1) radiation from the following target materials: molybdenum, copper, cobalt, iron, and chromium.

METALS - STRUCTURES↗
NASA NTRS2003

Crystal Structure of the Catalytic Domain of a Serine Threonine Protein Phosphatase

Reversible phosphorylation of serine and threonine residues is a well-recognized mechanism in eukaryotic cells for the regulation of cell-cycle progression, cell growth and metabolism. Human serine/threonine phosphatases can be placed into two major families, PPP and PPM. To date the structure on one PPP family member (PPl) has been determined. Here we present the structure of a 323-residue catalytic domain of a second phosphatase belonging to the PPP family of enzyme. catalytic domain of the enzyme has been determined to 1.60Angstrom resolution and refined to R=17.5 and Rfree = 20.8%. The catalytic domain possesses a unique fold consisting of a largely monolithic structure, divisible into closely-associated helical and sheet regions. The catalytic site contains two manganese ions that are involved in substrate binding and catalysis. The enzyme crystallizes as a dimer that completely buries catalytic surfaces of both monomers, Also, the structure shows evidence of some flexibility around the active site cleft that may be related to substrate specificity of this enzyme.

Swinglel, Mark↗
NASA NTRS2014

Valence State Partitioning of V between Pyroxene and Melt for Martian Melt Compositions Y 980459 and QUE 94201: The Effect of Pyroxene Composition and Crystal Structure

A spiked (with REE, V, Sc) martian basalt Y980459 composition was used to synthesize olivine, spinel, and pyroxene at 1200 C at 5 oxygen fugacities: IW-1, IW, IW+1, IW+2, and QFM. The high spike levels for REE were used for two specific reasons. First, we wanted to be able to analyze REE by both electron microprobe and ion probe. Second, we wanted the most important "Others" components, (i.e., those outside the pyroxene quadrilateral such as Al, Cr3+, Fe3+, REE3+, V3+, V4+, etc.) to be REE3+Mg (Si,Al)2O6. At the doped levels we used, the most important "Others" component is REE3+ in the M2 site coupled with Al in the tetrahedral site. The goal of this paper is to explain the significant increase in the value of D(sub V)(sup pyroxene/melt) with increased Wo content of the pyroxene. We compare augite (Wo approx. 33), pigeonite (Wo approx. 13) and orthopyroxene (Wo approx 3.8). We also show olivine for comparison. The crystal chemical factors which account for this remarkable increase of DV with Wo are twofold. First, with Ca in the M2 site (as in diopside, CaMgSi2O6) the site is large and 8-coordinated while Mg in the M2 site (as in enstatite, Mg2Si2O6) the site is smaller and 6- coordinated. Second, tetrahedral Al in the pyroxene chains provides charge balance and makes the M2 site larger and more compliant for the introduction of REE.

Papike, J. J.↗
NASA NTRS1974

Elasticity of some mantle crystals structures. III - Spessartite-almandine garnet

Measurements of the pressure dependence of the elastic constants of spessartite-almandine garnet are given. The basis for velocity systematics among the available natural and synthetic garnet data is then examined. As for any dense oxide, the natural anion in garnet is dominant in size. The ionic sizes of the cations in the various sites are used to determine the extent to which it might be expected that garnets of different chemical formulas are analogous in elastic properties. The results are used to predict that the elastic velocities in garnet-transformed MgSiO3 are the same as those in pyrope (Mg3Al2Si3O12).

Wang, H.↗
NASA NTRS1978

Polymorphism and the crystal structures of InSb at elevated temperature and pressure

The paper presents polycrystalline X-ray diffraction data for three high-pressure phases of InSb. The study employed two types of diamond-anvil pressure cells. The X-ray diffraction parameters were recorded at different fixed pressures and temperatures on flat film. The experiment utilized Zr-filtered Mo radiation. The intensities were estimated from the X-ray photographs using a semiautomated microdensitometer.

Yu, S.-C.↗
NASA NTRS1981

Harmonic and Anharmonic Properties of Diamond Structure Crystals with Application to the Calculation of the Thermal Expansion of Silicon

Silicon has interesting harmonic and anharmonic properties such as the low lying transverse acoustic modes at the X and L points of the Brillouin zone, negative Gruneisen parameters, negative thermal expansion and anomalous acoustic attenuation. In an attempt to understand these properties, a lattice dynamical model employing long range, nonlocal, dipole-dipole interactions was developed. Analytic expression for the Gruneisen parameters of several modes are presented. These expressions explain how the negative Gruneisen parameters arise. This model is applied to the calculation of the thermal expansion of silicon from 5K to 1700K. The thermoelastic contribution to the acoustic attenuation of silicon is computed from 1 to 300 K. Strong attenuation anomalies associated with negative thermal expansion are found in the vicinity of 17K and 125K.

Wanser, K. H.↗