Search NASA⌕ Search

SEARCH · Search NASA

Results for “asymmetric unit”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Crystallization and preliminary X-ray diffraction analysis of restriction endonuclease EcoRII

Crystals of the restriction endonuclease EcoRII have been obtained by the vapor-diffusion technique in the presence of ammonium sulfate or polyethylene glycol. The best crystals were grown with ammonium sulfate as a precipitant. Crystals with dimensions of up to 0.6 x 0. 6 x 0.6 mm have been observed. The crystals diffract to about 4.0 A resolution at a cryo-temperature of 100 K using a rotating-anode X-ray source and a Rigaku R-AXIS IV imaging-plate detector. The space group has been determined to be either I23 or I2(1)3, with unit-cell parameters a = b = c = 160.3 A, alpha = beta = gamma = 90 degrees. The crystal asymmetric unit contains two protein molecules, and self-rotation function analysis shows a pseudo-twofold symmetry relating the two monomers. Attempts to improve the resolution of crystal diffraction and to search for heavy-atom derivatives are under way.

Deoxyribonucleases, Type II Site-Specific/chemistr↗
NASA NTRS1994

Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV

The 3-dimensional crystal structure of glutathione S-transferase (GST) of Schistosoma japonicum (Sj) fused with a conserved neutralizing epitope on gp41 (glycoprotein, 41 kDa) of human immunodeficiency virus type 1 (HIV-1) was determined at 2.5 A resolution. The structure of the 3-3 isozyme rat GST of the mu gene class was used as a molecular replacement model. The structure consists of a 4-stranded beta-sheet and 3 alpha-helices in domain 1 and 5 alpha-helices in domain 2. The space group of the Sj GST crystal is P4(sub 3)2(sub 1)2 with unit cell dimensions of a = b = 94.7 A, and c = 58.1 A. The crystal has 1 GST monomer per asymmetric unit, and 2 monomers that form an active dimer are related by crystallographic 2-fold symmetry. In the binding site, the ordered structure of reduced glutathione is observed. The gp41 peptide (Glu-Leu-Asp-Lys-Trp-Ala) fused to the C-terminus of Sj GST forms a loop stabilized by symmetry-related GSTs. The Sj GST structure is compared with previously determined GST structures of mammalian gene classes mu, alpha, and pi. Conserved amino acid residues among the 4 GSTs that are important for hydrophobic and hydrophilic interactions for dimer association and glutathione binding are discussed.

Lim, Kap↗
NASA NTRS1994

Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV

The 3-dimensional crystal structure of glutathione S-transferase (GST) of Schistosoma japonicum (Sj) fused with a conserved neutralizing epitope on gp41 (glycoprotein, 41 kDa) of human immunodeficiency virus type 1 (HIV-1) (Muster T et al., 1993, J Virol 67:6642-6647) was determined at 2.5 A resolution. The structure of the 3-3 isozyme rat GST of the mu gene class (Ji X, Zhang P, Armstrong RN, Gilliland GL, 1992, Biochemistry 31:10169-10184) was used as a molecular replacement model. The structure consists of a 4-stranded beta-sheet and 3 alpha-helices in domain 1 and 5 alpha-helices in domain 2. The space group of the Sj GST crystal is P4(3)2(1)2, with unit cell dimensions of a = b = 94.7 A, and c = 58.1 A. The crystal has 1 GST monomer per asymmetric unit, and 2 monomers that form an active dimer are related by crystallographic 2-fold symmetry. In the binding site, the ordered structure of reduced glutathione is observed. The gp41 peptide (Glu-Leu-Asp-Lys-Trp-Ala) fused to the C-terminus of Sj GST forms a loop stabilized by symmetry-related GSTs. The Sj GST structure is compared with previously determined GST structures of mammalian gene classes mu, alpha, and pi. Conserved amino acid residues among the 4 GSTs that are important for hydrophobic and hydrophilic interactions for dimer association and glutathione binding are discussed.

Schistosoma japonicum/enzymology/genetics/immunolo↗
NASA NTRS2001

Crystallization and initial X-ray diffraction analysis of human pyruvate dehydrogenase

Human pyruvate dehydrogenase (E1) is a component enzyme of the pyruvate dehydrogenase complex. The enzyme catalyzes the irreversible decarboxylation of pyruvic acid and the rate-limiting reductive acetylation of the lipoyl moiety linked to the dihydrolipoamide acetyltransferase component of the pyruvate dehydrogenase complex. E1 is an alpha(2)beta(2) tetramer ( approximately 154 kDa). Crystals of this recombinant enzyme have been grown in polyethylene glycol 3350 using a vapor-diffusion method at 295 K. The crystals are characterized as orthorhombic, space group P2(1)2(1)2(1), with unit-cell parameters a = 64.2, b = 126.9, c = 190.2 A. Crystals diffracted to a minimum d spacing of 2.5 A. The asymmetric unit contains one alpha(2)beta(2) tetrameric E1 assembly; self-rotation function analysis showed a pseudo-twofold symmetry relating the two alphabeta dimers.

Pyruvate Dehydrogenase Complex/chemistry↗
NASA NTRS1990

Crystallization of the Fab from a human monoclonal antibody against gp 41 of human immunodeficiency virus type I

A monoclonal IgG antibody directed against gp 41 from the human immunodeficiency virus (HIV-1) has been crystallized in both intact and Fab forms. Crystals of the intact antibody grow as tetragonal-like prisms too small for conventional X-ray analysis. However, the Fab portion of the antibody produces suitable platelike crystals which belong to the space group P2(1)2(1)2(1) with unit cell constants of a = 66.5 A, b = 74.3 A, and c = 105.3 A. There is one molecule of Fab in the asymmetric unit. The Fab crystals show diffraction to d-spacings less than 3.0 A.

Casale, Elena↗
NASA NTRS2000

Crystallization and Initial X-Ray Diffraction Analysis of Human Pyruvate Dehydrogenase

Human pyruvate dehydrogenase (E1) is a component enzyme of the pyruvate dehydrogenase complex. The enzyme catalyzes the decarboxylation of pyruvate followed by a reductive acetylation of lipoyl groups of the dihydrolipoamide acetyltransferase component of the pyruvate dehydrogenase complex. El is an alpha(sub 2)Beta(sub 2) tetrameric assembly of an approximate molecular mass of 154 kDa. The crystals of this recombinant enzyme have been grown from polyethylene glycol 3350 using vapor diffusion method at 295K. The crystals are characterized as orthorhombic, space group P2(sub 1)2(sub 1)2(sub 1), with cell parameters of a = 64.2, b = 126.9 and c = 190.2 A. Crystals diffracted to a minimum d-spacing of 2.5 A. The asymmetric unit contains one alpha(sub 2)Beta(sub 2) tetrameric El assembly, and self-rotation function analysis showed a pseudo-twofold symmetry relating the two monomers.

Ciszak, Ewa↗
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 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 NTRS2000

Crystallized N-terminal domain of influenza virus matrix protein M1 and method of determining and using same

The matrix protein, M1, of influenza virus strain A/PR/8/34 has been purified from virions and crystallized. The crystals consist of a stable fragment (18 Kd) of the M1 protein. X-ray diffraction studies indicated that the crystals have a space group of P3.sub.t 21 or P3.sub.2 21. Vm calculations showed that there are two monomers in an asymmetric unit. A crystallized N-terminal domain of M1, wherein the N-terminal domain of M1 is crystallized such that the three dimensional structure of the crystallized N-terminal domain of M1 can be determined to a resolution of about 2.1 .ANG. or better, and wherein the three dimensional structure of the uncrystallized N-terminal domain of M1 cannot be determined to a resolution of about 2.1 .ANG. or better. A method of purifying M1 and a method of crystallizing M1. A method of using the three-dimensional crystal structure of M1 to screen for antiviral, influenza virus treating or preventing compounds. A method of using the three-dimensional crystal structure of M1 to screen for improved binding to or inhibition of influenza virus M1. The use of the three-dimensional crystal structure of the M1 protein of influenza virus in the manufacture of an inhibitor of influenza virus M1. The use of the three-dimensional crystal structure of the M1 protein of influenza virus in the screening of candidates for inhibition of influenza virus M1.

Luo, Ming↗
NASA NTRS1991

Restructured Freedom configuration characteristics

In Jan. 1991, the LaRc SSFO performed an assessment of the configuration characteristics of the proposed pre-integrated Space Station Freedom (SSF) concept. Of particular concern was the relationship of solar array operation and orientation with respect to spacecraft controllability. For the man-tended configuration (MTC), it was determined that torque equilibrium attitude (TEA) seeking Control Moment Gyroscope (CMG) control laws could not always maintain attitude. The control problems occurred when the solar arrays were tracking the sun to produce full power while flying in an arrow or gravity gradient flight mode. The large solar array articulations that sometimes result from having the functions of the alpha and beta joints reversed on MTC induced large product of inertia changes that can invalidate the control system gains during an orbit. Several modified sun tracking techniques were evaluated with respect to producing a controllable configuration requiring no modifications to the CMG control algorithms. Another assessment involved the permanently manned configuration (PMC) which has a third asymmetric PV unit on one side of the transverse boom. Recommendations include constraining alpha rotations for MTC in the arrow and gravity gradient flight modes and perhaps developing new non-TEA seeking control laws. Recommendations for PMC include raising the operational altitude and moving to a symmetric configuration as soon as possible.

Troutman, Patrick A.↗
NASA NTRS1986

The molecular content of the nearby galaxy from IRAS and HI observations

Because infrared emission is a very good tracer of mass at high latitudes, by combining it with HI observations it provides a convenient though indirect way of observing the spatial distribution of molecular material. Moreover, these observations will premit placing limits on the fraction of total infrared luminosity emitted by dust associated with molecular and atomic hydrogen clouds. A preliminary result from the study of the correlation between HI column density and 100 micron infrared flux density as measured by the IRAS satellite is reported. The ratio F100/W(HI) = R has an average value of roughty 17 KJy/sr/(K km/s) over the whole sky. Bright regions in the FIR such as the Galactic plane and HII regions are excluded from the data. The histogram of the number of pixels vs R has a strong peak near 17 (same units as before) and is asymmetric about this mean value, having a tail at higher values of R. This basic shape is fairly independent of the region of the sky we observe. The peak confirms the general correlation between infrared emission and HI column density reported previously. One way to explain the shape of the distribution is to assume a constant dust to gas mass ratio and a constant interstellar radiation field and associate points in the tail with molecular clouds. In this case the ratio R is higher for points in the tail because it does not account for the column density of molecular hydrogen.

Bazell, D.↗
NASA NTRS2001

Liquid Crystals Derived from 2-phenyl-isoindoles: Synthesis and Characterization

2-Phenyl-isoindole was investigated as the rigid core unit in a series of asymmetric mesogenic molecules. When the 2-phenyl-isoindole core was terminated with a hexyl tail, no mesophase formation could be observed. When 4-n-(tridecafluorohexyl) was used, however, we observed both monotropic and enantiotropic phase behavior. We found that most functionalities at the anhydride 5-position results in the formation of smectic A (SmA) phases in the temperature range of 70-180 C. Functionalities at the anhydride 4-position suppress mesophase formation. Large substituents (-Br, -NO2) and symmetric substitution patterns (5,6-dichloro, 4,7-dichloro and 4,5,6,7-tetrachloro) on the anhydride moiety increase the melting point and destabilize the mesophase. Temperature dependent X-ray diffraction experiments suggest an interdigitated SmA packing for this family of compounds.

Jow, Kenny G.↗
NASA NTRS2003

Cloverleaf Vibratory Microgyroscope with Integrated Post

A modified design and fabrication sequence has been devised to improve the performance of a cloverleaf vibratory microgyroscope that includes an axial rod or post rigidly attached to the center of the cloverleaf structure. The basic concepts of cloverleaf vibratory microgyroscopes, without and with rods or posts, were described in two prior articles in NASA Tech Briefs, Vol. 21, No. 9 (September 1997): Micromachined Planar Vibratory Microgyroscopes (NPO-19713), page 68 and Planar Vibratory Microgyroscope: Alternative Configuration (NPO-19714), page 70. As described in more detail in the second-mentioned prior article, the cloverleaf-shaped structure and the rod or post are parts of a vibratory element that senses rotation via the effect of the Coriolis force upon its vibrations. Heretofore, the posts for devices of this type have been fabricated separately, then assembled manually onto the cloverleaf structures. The resulting imperfections in the assembled units have given rise to asymmetric stresses in the cloverleaf structures and, consequently, to changes in resonant frequencies of vibration and in shapes of vibration modes. These changes, in turn, have caused variations in performance among nominally identical devices. The modified design provides for the fabrication of the upper half of the post as an integral part of the cloverleaf structure; this is accomplished by reactive-ion etching of a single-piece half-post-and-cloverleaf structure from a wafer of silicon. The lower half of the post and a baseplate are also a single piece made by reactive-ion etching from a wafer of silicon. The two pieces are bonded together (see figure) by a thermal-compression metal-to-metal bonding technique to form a cloverleaf gyroscope with an integrated post structure..

Tang, Tony K.↗
NASA NTRS2018

Asymmetric Dianhyrdrides and Methods of Making the Same

A method for preparing asymmetric 3,4'-(hexafluroisopropylidene) dipthalic anhydride (a-6FDA) and asymmetric 3,4'-(methylene)diphthalic anhydride (a-MDPA) from asymmetric 2,3,3',4'-benzophenone dianhydride (a-BTDA). First, a-BTDA is converted to its corresponding N-alkyl or N-phenyl bisimides by reacting with either methylamine or aniline. The sequential addition of two trifluoromethyl (CF.sub.3) groups to the carbonyl unit of a-BTDA produce the corresponding bisimides of asymmetric 6FDA, which is hydrolyzed to the asymmetric 6F-tetracarboxylic acid followed by cyclodehydration to obtain asymmetric 6F-dianhydride (a-6FDA). Separately, the carbonyl unit of bisimides of a-BTDA is reduced to a methylene unit to afford the corresponding bisimides of asymmetric 3,4'-(methylene)diphthalic anhydride, which is hydrolyzed to the asymmetric methylene tetracarboxylic acid followed by cyclodehydration to obtain 3,4'-(methylene)diphthalic anhydride (a-MDPA).

Chuang, Chun-Hua↗
NASA NTRS1982

Analysis of crater distribution in mare units on the lunar far side

Mare material is asymmetrically distributed on the moon. The earth-facing hemisphere, where the crust is believed to be 26 km thinner than on the farside, contains substantially more basaltic mare material. Using Lunar Topographic Orthophoto Maps, the thickness of the mare material in three farside craters, Aitken (0.59 km), Isaev (1.0 km), and Tsiolkovskiy (1.75 km) was calculated. Crater frequency distribution in five farside mare units (Aitken, Isaev, Lacus Solitudinis, Langemak, and Tsiolkovskiy) and one light plains unit (in Mendeleev) were also studied. Nearly 10,000 farside craters were counted. Analysis of the crater frequency on the light plains unit gives an age of 4.3 billion yr. Crater frequency distributions on the mare units indicate ages of 3.7 and 3.8 billion yr. suggesting that the units are distributed over a narrow time period of approximately 100 million yr. Returned lunar samples from nearside maria give dates as young as 3.1 billion yr. The results of this study suggest that mare basalt emplacement on the far side ceased before it did on the near side.

Walker, A. S.↗
NASA NTRS1992

Three-dimensional computational study of asymmetric flows using Navier-Stokes equations

The unsteady, compressible, thin-layer Navier-Stokes equations are used to obtain three-dimensional, asymmetric, vortex-flow solutions around cones and cone-cylinder configurations. The equations are solved using an implicit, upwind, flux-difference splitting, finite-volume scheme. The computational applications cover asymmetric flows around a 5 semi-apex angle cone of unit length at various Reynolds number. Next, a cylindrical afterbody of various length is added to the conical forebody to study the effect of the length of cylindrical afterbody on the flow asymmetry. All the asymmetric flow solutions are obtained by using a short-duration side-slip disturbance.

Cheung, Y. K.↗
NASA NTRS1991

Three-dimensional Navier-Stokes asymmetric solutions for cones and cone-cylinder configurations

The unsteady, compressible, thin-layer Navier-Stokes equations are used to obtain three-dimensional, asymmetric, vortex-flow solutions around cones and conecylinder configurations. The equations are solved using an implicit, upwind, flux-difference splitting, finite-volume scheme. The computational applications cover asymmetric flows around a 5 deg semiapex angle cone of unit length at various Reynolds number. Next, a cylindrical afterbody of various length is added to the conical forebody to study the effect of the length of cylindrical afterbody on the flow asymmetry. One of the computational solutions has been validated by comparing the computed surface pressure with those of the experimental data. All the asymmetric flow solutions have been obtained by using a short-duration side-slip disturbance.

Kandil, Osama A.↗
NASA NTRS2001

Organic Protomolecule Assembly in Igneous Minerals

C-H stretching bands in the infrared spectrum of single crystals of nominally high purity, laboratory-grown MgO and of natural upper mantle olivine provide an "organic" signature that closely resembles the symmetrical and asymmetrical C-H stretching modes of aliphatic -CH2- units. The C-H stretching bands indicate that H20 and CO2, dissolved in the matrix of these minerals, converted to form H2 and chemically reduced C, which in turn formed C-H entities, probably through segregation into defects such as dislocations. Heating causes the C-H bonds to pyrolyze and the C-H stretching bands to disappear, but annealing at 70 C causes them to reappear within a few days or weeks. Modeling dislocations in MgO suggests that the segregation of C can lead to Cx chains, x less than or equal to 4, with the terminal C atoms anchored to the MgO matrix by bonding to two U. Allowing H2 to react with such Cx chains leads to [O2C(CH2)2CO2] or similar precipitates. It is suggested that such Cx-Hy-Oz entities represent protomolecules from which derive the short-chain carboxylic and dicarboxylic and of the medium-chain fatty acids that have been solvent-extracted from crushed MgO and olivine single crystals, respectively. Thus it appears that the hard, dense matrix of igneous minerals represents a medium in which protomolecular units can be assembled. During weathering of rocks the protomolecular units turn into complex organic molecules. These processes may have provided stereochemically constrained organics to the early Earth that were crucial to the emergence of Life.

Freund, Friedemann↗