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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Is there a single origin of life?

The emergence of the first life on the earth is now established as an early event, closely related to the evolving earth. Lack of knowledge of the primitive terrestrial conditions contemporary with the evolving prebolic organic chemistry limits reconstruction techniques. The primitive earth's aqueous history is essential to unraveling this problem. Based on current knowledge of other planets of the solar system, no close analog to the early earth can be expected. It is still not known if there was a second origin or if only earth has life. This may depend upon the question of the survival of information-bearing chemical systems in a dynamic or chaotic environment and the chemical protection afforded within such a system. Water is the central molecule of controversy: the blessing and the curse of the chemist. New and novel chemical mechanisms and systems abound.

Soffen, Gerald A.↗
NASA NTRS1993

Conformational influence of the ribose 2'-hydroxyl group: crystal structures of DNA-RNA chimeric duplexes

We have crystallized three double-helical DNA-RNA chimeric duplexes and determined their structures by X-ray crystallography at resolutions between 2 and 2.25 A. The two self-complementary duplexes [r(G)d(CGTATACGC)]2 and [d(GCGT)r(A)d(TACGC)]2, as well as the Okazaki fragment d(GGGTATACGC).r(GCG)d(TATACCC), were found to adopt A-type conformations. The crystal structures are non-isomorphous, and the crystallographic environments for the three chimeras are different. A number of intramolecular interactions of the ribose 2'-hydroxyl groups contribute to the stabilization of the A-conformation. Hydrogen bonds between 2'-hydroxyls and 5'-oxygens or phosphate oxygens, in addition to the previously observed hydrogen bonds to 1'-oxygens of adjacent riboses and deoxyriboses, are observed in the DNA-RNA chimeric duplexes. The crystalline chimeric duplexes do not show a transition between the DNA A- and B-conformations. CD spectra suggest that the Okazaki fragment assumes an A-conformation in solution as well. In this molecule the three RNA residues may therefore lock the complete decamer in the A-conformation. Crystals of an all-DNA strand with the same sequence as the self-complementary chimeras show a morphology which is different from those of the chimera crystals. Moreover, the oligonucleotide does not match any of the sequence characteristics of DNAs usually adopting the A-conformation in the crystalline state (e.g., octamers with short alternating stretches of purines and pyrimidines). In DNA-RNA chimeric duplexes, it is therefore possible that a single RNA residue can drive the conformational equilibrium toward the A-conformation.

NASA Discipline Number 52-20↗
NASA NTRS1992

Comparison of the Brueckner and coupled-cluster approaches to electron correlation

The coupled-cluster and Brueckner electron correlation methods are used to determine the equilibrium structures, dipole moments, harmonic vibrational frequencies, and IR intensities of NH3, FON, Be3, BeC2, and BeO2. The singles and doubles coupled-cluster and Brueckner doubles methods are employed, and the corresponding methods that include a perturbational estimate of connected triple excitations are also investigated. The T sub 1 diagnostic is found to provide a good indication of the magnitude of the difference between the results obtained with the coupled-cluster and Brueckner methods. For NH3, the T sub 1 diagnostic is small and so the differences between results obtained from coupled-cluster and Brueckner theories are quite small. It is found for all of the molecules under consideration that inclusion of the contribution from connected triple excitations is more important than the differences between the Brueckner and coupled-cluster correlation methods.

Lee, Timothy J.↗
NASA NTRS2001

A Model for Macromolecular Crystallization

Macromolecular crystallization is a complex process. involving a system which typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only several well defined contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can often be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric single chain macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. Experimental evidence, based upon face growth rate, AFM, and fluorescence energy transfer data, for a postulated model of the nucleation of tetragonal lysozyme crystals and how it transitions into crystal growth will be presented.

Pusey, Marc L.↗
NASA NTRS2002

A Model for Tetragonal Lysozyme Crystal Nucleation and Growth

Macromolecular crystallization is a complex process, involving a system that typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only a few contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be difficult or impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric (single chain) macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. This model has been developed from experimental evidence based upon face growth rate, AFM, and fluorescence energy transfer data for the nucleation and growth of tetragonal lysozyme crystals.

Pusey, Marc L.↗
NASA NTRS1992

The cometary contribution to prebiotic chemistry

The chemical composition of cometary nuclei is examined to estimate the potential contribution of volatiles to the prebiotic earth from cometary collisions. Observations of cometary nuclei are reviewed to describe the chemical evolution of the objects and their theoretical potential for affecting the terrestrial environment. Specific attention is given to the plausibility of the single-impact formation of the earth-moon system, and experiments are proposed for testing the present theories. It is proposed that significant contributions of biogenic elements such as C, H, N, O, P, and S resulted from these nuclei colliding with the earth. Observations of the solar atmosphere and of the circumstellar shells of C-rich stars indicate that compounds such as CO, C2, and H2O were not pyrolyzed as a result of collision events. The compounds are theorized to have established the foundation for the abiotic synthesis of key biochemical molecules.

Oro, J.↗
NASA NTRS1990

Hyperthermal atomic oxygen generator

Characterization of the transport properties of oxygen through silver was continued. Specifically, experiments measuring the transport through Ag(111), Ag(110), Ag(100) single crystals and through Ag0.05 Zr alloy were completed. In addition, experiments using glow discharge excitation of oxygen to assist in the transport were completed. It was found that the permeability through the different orientations of single crystal Ag was the same, but significant differences existed in the diffusivity. The experimental ratio of diffusivities, however, was in reasonable agreement with theoretical estimates. Since the solubilities of orientations must be the same, this suggests some problems with the assumption K = DS. The glow discharge experiments show that there is a substantial increase in transport (factor of six) when the upstream pressure is dissociated to some fraction of atoms (which have a much higher sticking coefficient). These results indicate that there is a significant surface limitation because of dissociative adsorption of the molecules. Experiments with the Ag0.05 Zr alloy and its high-grain boundary and defect density show a permeability of greater than a factor of two over ordinary polycrystalline Ag, but it is unclear as to whether this is because of enhanced transport through these defects or whether the Zr and defects on the surface increased the sticking coefficient and therefore the transport.

Khandelwal, Govind S.↗
NASA NTRS2004

The Structure of Young Stellar Systems: Establishing the Initial Conditions for Planet Formation

FYO1-FY03 Origins support to the PI had been as part of an effort involving Profs. Blake, van Dishoeck and L.G. Mundy of the University of Maryland. As outlined below, the merging of BIMA+OVRO into the Combined Array for Research in Millimeter Astronomy (CARMA) and our mutual involvement in the Spitzer Legacy Science program now provides a more natural means of continuing the Caltech/Maryland collaboration. In addition, the spectroscopy/radiative transfer programs led by Profs. Blake, Hogerheijde, and van Dishoeck form a more cohesive basis for a single proposal. Students supported by our previous Origins grant have been involved in making some of the first sub-arcsecond resolution images of the morphology and chemistry of individual YSOs at OVRO and BIMA, in the analysis of IR spectra taken by ISO, and in continuing exploratory IR diffraction-limited imaging and spectroscopy at the Keck and VLT observatories. Notable scientific accomplishments in the past grant period include: 1) detecting high density and temperature hot cores in the dynamically accreting envelopes of low mass protostars that contain significant quantities of complex, prebioitc molecules, 2) imaging chemical and isotopic zonation in the outer regions of T Tauri star accretion disks, particularly fractional ionization and D/H studies, 3) acquiring and modeling the first extensive CO v = 1 approaches 0 spectroscopy survey of the terrestrial planet-forming region of circumstellar accretion disks, and 4) optimizing detailed radiative transfer modeling of the molecular and dust emission from YSO envelopes and from comets, including a new parallelized implementation.

Blake, Geoffrey A.↗
NASA NTRS2011

Microfabrication of a High-Throughput Nanochannel Delivery/Filtration System

A microfabrication process is proposed to produce a nanopore membrane for continuous passive drug release to maintain constant drug concentrations in the patient s blood throughout the delivery period. Based on silicon microfabrication technology, the dimensions of the nanochannel area, as well as microchannel area, can be precisely controlled, thus providing a steady, constant drug release rate within an extended time period. The multilayered nanochannel structures extend the limit of release rate range of a single-layer nanochannel system, and allow a wide range of pre-defined porosity to achieve any arbitrary drug release rate using any preferred nanochannel size. This membrane system could also be applied to molecular filtration or isolation. In this case, the nanochannel length can be reduced to the nanofabrication limit, i.e., 10s of nm. The nanochannel delivery system membrane is composed of a sandwich of a thin top layer, the horizontal nanochannels, and a thicker bottom wafer. The thin top layer houses an array of microchannels that offers the inlet port for diffusing molecules. It also works as a lid for the nanochannels by providing the channels a top surface. The nanochannels are fabricated by a sacrificial layer technique that obtains smooth surfaces and precisely controlled dimensions. The structure of this nanopore membrane is optimized to yield high mechanical strength and high throughput.

Ferrari, Mauro↗
NASA NTRS1996

Ultralow Friction in a Superconducting Magnetic Bearing

Passive levitation by superconducting magnetic bearings can be utilized in flywheels for energy storage. Basic design criteria of such a bearing are high levitation force, sufficient vertical and horizontal stability and low friction. A test facility was built for the measurement and evaluation of friction in a superconducting magnetic bearing as a function of operating temperature and pressure in the vacuum vessel. The bearing consists of a commercial disk shaped magnet levitated above single grain, melt-textured YBCO high-temperature superconductor material. The superconductor was conduction cooled by an integrated AEG tactical cryocooler. The temperature could be varied from 50 K to 80 K. The pressure in the vacuum chamber was varied from 1 bar to 10(exp -5) mbar. At the lowest pressure setting, the drag torque shows a linear frequency dependence over the entire range investigated (0 less than f less than 40 Hz). Magnetic friction, the frequency independent contribution, is very low. The frequency dependent drag torque is generated by molecular friction from molecule-surface collisions and by eddy currents. Given the specific geometry of the set-up and gas pressure, the molecular drag torque can be estimated. At a speed of 40 Hz, the coefficient of friction (drag-to-lift ratio) was measured to be mu = 1.6 x 10(exp -7) at 10(exp -5) mbar and T = 60 K. This is equivalent to a drag torque of 7.6 x 10(exp -10) Nm. Magnetic friction causes approx. 1% of the total losses. Molecular friction accounts for about 13% of the frequency dependent drag torque, the remaining 87% being due to eddy currents and losses from rotor unbalance. The specific energy loss is only 0.3% per hour.

Bornemann, Hans J.↗
NASA NTRS1976

Radiance, polarization, and ellipticity of the radiation in the earth's atmosphere

The complete radiation field including polarization is calculated for a model of the real atmosphere by the matrix operator method. The radiance, direction and amount of polarization, and ellipticity are obtained at the top and bottom of the atmosphere for three values of the surface albedo (0; 0.15 0.90) and five solar zenith angles. Scattering and absorption by molecules (including ozone) and by aerosols are taken into account together with the variation of the number density of these substances with height. All results are calculated for both a normal aerosol number and a distribution which is one-third of the normal amount at all heights. The calculated values show general qualitative agreement with the available experimental measurements. The position of the neutral points of the polarization in the principal plane is a sensitive indicator of the characteristics of the aerosol particles in the atmosphere, since it depends on the sign and value of the single scattered polarization for scattering angles around 20 deg and 160 deg for transmitted and reflected photons respectively.

Hitzfelder, S. J.↗
NASA NTRS1984

A variational method for the calculation of dynamic polarizabilities and two-photon transition moments - The dressed molecule approach

The solution of the time-dependent Schroedinger equation of the molecule + radiation field system is analyzed. A quantized radiation field is used. The relationship between the oscillatory wave function and the dressed state wave function is established, the oscillatory wave function being the solution if the radiation field is turned on at t = 0 and the dressed state being the stationary solution satisfying the boundary condition only if the field is present at t = negative infinity. In general, the oscillatory wave function can be expressed using a complete set of dressed states. However, in the presence of a nonresonant radiation field, the system is well represented by a single dressed state. Molecular properties such as dynamic polarizabilities and two-photon transition moments can be deduced from the dressed state wave function instead of the oscillatory wave function as in previous methods. Because of its stationary character, the dressed state is more amenable to approximate calculations. A CI method is developed for this purpose. The CI matrix is simple in form and can be readily constructed using existing computer codes. The present method can also be adapted to calculate other optical properties.

Huo, W. M.↗
NASA NTRS1992

Does UV instrumentation effectively measure ozone abundance?

Measurements of O3 on Mars provide significant information about the chemistry and composition of the atmosphere, including long-term changes. The most extensive and accurate data were inferred from the Mariner 9 UV spectrometer experiment. Mars O3 shows strong seasonal and latitudinal variation, with column abundances ranging from 0.2 microns at equatorial latitudes to 60 microns over the northern winter polar latitudes (1 micron-atm is a column abundance of 2.689 x 10(exp 15) molecules cm(exp-2)). The Mariner 9 UV spectrometer scanned from 2100 to 3500 Angstroms in one of its two spectral channels every 3 seconds with a spectral resolution of 15 Angstroms and an effective field-of-view of approximately 300 km(exp 2). Measurements were made for almost half a Martian year, with winter and spring in the Northern Hemisphere and summer and fall in the Southern Hemisphere. The detectability limit of the spectrometer was approximately 3 microns of ozone. The UV spectrometer on Mariner 9 was incapable of penetrating the dust during dust storms; the single-scattering albedo and phase function of airborne dust and cloud ice are not known to the degree required to extract the small UV signal reflected up from near the surface. The reflectance spectroscopy technique would also have difficulty detecting the total column abundance of O3 in cases where large dust abundances exist together with the polar hood, especially at high latitudes where large solar zenith angles magnify those optical depths; yet these cases would contain the maximum O3, based on theoretical results. It is quite possible that the maximum O3 column abundance observed by Mariner 9 of 60 microns is common. In fact, larger quantities may exist in some of the colder areas with optically thick clouds and dust. As the Viking period often had more atmospheric dust loading than did that of Mariner 9, the reflectance spectroscopy technique may even have been incapable of detecting the entire O3 column abundance during much of the Mars year that Viking observed, particularly at high latitudes.

Lindner, Bernhard Lee↗
NASA NTRS1992

X-ray photoelectron spectroscopy study of the stability of Fomblin Z25 on the native oxide of aluminum

Thin films of Fomblin Z25, a perfluoropolyalkylether lubricant, were vapor deposited onto clean, oxidized aluminum, and onto sapphire surfaces, and their behavior at different temperatures was studied using X-ray photoelectron spectroscopy and temperature desorption spectroscopy (TDS). The interfacial fluid molecules decompose on the native oxide at room temperature, and continue to decompose at elevated temperatures, as previous studies had shown to occur on the clean metal. TDS indicated that different degradation mechanisms were operative for clean and oxidized aluminum. On sapphire substrates, no reaction was observed at room temperature. The native oxide of aluminum is neither passive nor protective towards Fomblin Z25. At higher temperatures (150 C), degradation of the polymer on sapphire produced a debris layer at the interface with a chemical composition similar to the one formed on aluminum oxide. Rubbing a Fomblin film on a single crystal sapphire also induced the decomposition of the lubricant in contact with the interface and the formation of a debris layer.

Herrera-Fierro, Pilar↗
NASA NTRS2002

The AstroBiology Explorer (ABE) MIDEX Mission Concept: Using Infrared Spectroscopy to Identify Organic Molecules in Space

One of the principal means by which organic compounds are detected and identified in space is by infrared spectroscopy. Past IR telescopic and laboratory studies have shown that much of the carbon in the interstellar medium (ISM) is in complex organic species but the distribution, abundance and evolutionary relationships of these materials are not well understood. The Astrobiology Explorer (ABE) is a MIDEX mission concept designed to conduct IR spectroscopic observations to detect and identify these materials and address outstanding problems in astrobiology, astrochemistry, and astrophysics. ABE's core science program includes observations of planetary nebulae and stellar outflows, protostellar objects, Solar System objects, and galaxies, and lines of sight through dense molecular clouds and the diffuse ISM. ABE is a cryogenically-cooled 60 cm diameter space telescope equipped with 3 cross-dispersed R-2000 spectrometers that share a single common slit. Each spectrometer measures one spectral octave and together cover the entire 2.5-20 micron region simultaneously. The spectrometers use state-of-the-art InSb and Si:As 1024x1024 pixel detectors. ABE would operate in a heliocentric, Earth drift-away orbit and have a core science mission lasting approximately 1.5 years. ABE is currently under study at NASA's Ames Research Center in collaboration with Ball Aerospace and Technologies Corp.

Sandford, Scott A.↗
NASA NTRS1994

Chemical transitions for interstellar C2 and CN in cloud envelopes

Observations were made of absorption from CH, C2, and CN toward moderately reddened stars in Sco, OB2, Ceo OB3, and Taurus/Auriga. For these directions, most of the reddening is associated with a single cloud complex, for example, the rho Ophiuchus molecular cloud, and as a result, the observations probe moderately dense material. When combined with avaliable data for nearby directions, the survey provides the basis for a comprehensive analysis of the chemistry for these species. The chemical transitions affecting C2 and CN in cloud envelopes were analyzed. The depth into a cloud at which a transition takes place was characterized by tau(sub uv), the grain optical depth at 1000 A. One transition at tau(sub uv) approx. = 2, which arises from, the conversion of C(+) into CO, affects the chemistries for both molecules because of the key role this ion plays. A second one involving production terms in the CN chemistry occurs at tau(sub uv) of approx. = 3; neutral reactions which C2 and CH is more important at larger values for tau(sub uv). The transition from photodissociation to chemical destruction takes place at tau(sub uv) approx. = 4.5 for C2 and CN. The observational data for stars in Sco OB2, Cep OB3, and Taurus/Auriga were studied with chemical rate equations containing the most important production and destruction mechanisms. Because the sample of stars in Sco OB2 includes sight lines with A(sub v) ranging from 1-4 mag, sight lines dominated by photochemistry could be analyzed separately from those controlled by gas-phase destruction. The analysis yielded values for two poorly known rate constants for reactions involved in the production of CN; the reactions are C2 + N yields CN + C and C(+) + NH yields all products. The other directions were analyzed with the inferred values. The predicted column densities for C2 and CN agree with the observed values to better than 50%, and in most instances 20%. When combining the estimates for density and temperature derived from chemical modeling and molecular excitation for a specific cloud, such as the rho Ophiuchus molecular cloud, the portion of the cloud envelope probed by C2 and CN absorption was found to be in pressure equilibrium.

Federman, S. R.↗
NASA NTRS2001

Water Ice and Life's Roots in Space

Nearly three decades ago as Voyager 2 spacecraft raced out of the Solar System. NASA engineers turned its camera arm around (at the request of the American astronomer Carl Sagan) to take a parting snapshot of Earth. Earth's image was a single pale blue pixel, its color caused by the Rayleigh scattering of sunlight in the water of our oceans. Earth is a water planet, and this is the color of life. No matter how far we travel on our planet, no matter how high or deep, if we find liquid water, we find some form of life that manages to survive there. And yet there is a cruel irony. Water in its solid crystalline form is hostile to life. Organisms can roost in geysers, wallow in brine and gulp down acid, but they cowered from ice. The rigid ordering of water molecules in ice crystals expels impurities and tears organic tissue beyond repair. In fact, about the only good thing you can say about ice is that it gets out of the way: Its low density ensures that it floats and leaves the water dwelling creatures in peace. Recent discoveries have caused us to rethink this basic premise. New lines of evidence both observational and experimental - suggest that prebiotic organic compounds are not only comfortable in, but in fact had their origin in a peculiar form of solid water ice that is ubiquitous in interstellar space, but completely absent from Earth. Only recently have we been able to create even submicroscopic quantities of this ice in terrestrial laboratories, yet it constitutes the most abundant form of water in the universe. Interstellar ice is a far cry from the ice we are so familiar with on Earth. This interstellar ice has no crystalline structure, and despite the fact that its temperature is a scant few degrees above absolute zero (where all molecular motion ceases), it is highly reactive and can flow like water when exposed to radiation. It is in fact this ice's similarity to liquid water that allows it to participate in the creation of the very first organic compounds.

Blake, David↗
NASA NTRS2002

Thermophysics Characterization of Multiply Ionized Air Plasma Absorption of Laser Radiation

The impact of multiple ionization of air plasma on the inverse Bremsstrahlung absorption of laser radiation is investigated for air breathing laser propulsion. Thermochemical properties of multiply ionized air plasma species are computed for temperatures up to 200,000 deg K, using hydrogenic approximation of the electronic partition function; And those for neutral air molecules are also updated for temperatures up to 50,000 deg K, using available literature data. Three formulas for absorption are calculated and a general formula is recommended for multiple ionization absorption calculation. The plasma composition required for absorption calculation is obtained by increasing the degree of ionization sequentially, up to quadruple ionization, with a series of thermal equilibrium computations. The calculated second ionization absorption coefficient agrees reasonably well with that of available data. The importance of multiple ionization modeling is demonstrated with the finding that area under the quadruple ionization curve of absorption is found to be twice that of single ionization. The effort of this work is beneficial to the computational plasma aerodynamics modeling of laser lightcraft performance.

Wang, Ten-See↗