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At least 469 records · Page 26

Determination of band oscillator strengths of atmospheric molecules from high resolution vacuum ultraviolet cross section measurements

An account is given of progress during the six month period 1/11/84 to 4/30/85 in work on: (1) rovibronic assignments of the Schumann-Runge bands of O2-18; and (2) optical depth measurements of the Schumann-Runge bands of O2-18. The work summarized above is part of a comprehensive spectroscopic investigation of the absorption wavelengths, rotational line assignments, cross sections, and band oscillator strengths of the Schumann-Runge bands of O2-18 and O-18 O-16 in the wavelength region 175-205 nm. The investigation is conducted at high resolution with a 6.65 m scanning spectrometer/spectrograph which is, by reason of its small instrumental width (FWHM = 0.0013 nm), uniquely suitable for cross section measurements of molecular bands with discrete rotational structure. Absolute cross sections, which are independent of the instrumental function and from which band oscillator strengths are directly determined, will be measured for the absorption bands that are most predissociated.

Parkinson, W. H.↗

Determination of band oscillator strengths of atmospheric molecules from high resolution vacuum ultraviolet cross section measurements

An account is given of progress in work on (1) the determination of band oscillator strengths of the Schumann-Runge absorption bands of (16)O2 and (18)O2 from cross section measurements conducted at 79 K; (2) the determination of the absolute absorption cross section of the Schumann-Runge bands of (16)O(18)O from optical depth measurements performed on mixtures of (16)O2, (18)O2 and (16)O(18)O at 79K; and (3) the influence of Schumann-Runge linewing contributions on the determination of the Herzberg continuum absorption cross section of (16)O2 in the wavelength region 194 to 204 nm. The experimental investigations are effected at high resolution with a 6.65 m scanning spectrometer which is, by virtue of its small instrumental width (EWHM = 0.0013 nm), uniquely suitable for cross section measurements of molecular bands with discrete rotational structure. Absolute cross sections, which are independent of the instrumental function and from which band oscillator strengths are directly determined, are measured for the absorption bands that are most predissociated. Such measurements are needed for (1) accurate calculations of the stratospheric production of atomic oxygen and heavy ozone formed following the photopredissociation of (18)O(16)O by solar radiation penetrating between the absorption lines of (16)O2; (2) elucidation of the mechanism of predissociation of the upper state of the Schumann-Runge bands; and (3) determination of the true shape of the Herzberg continuum cross section.

Parkinson, W. H.↗

A predictive model for failure properties of thermoset resins

A predictive model for the three-dimensional failure behavior of engineering polymers has been developed in a recent NASA-sponsored research program. This model acknowledges the underlying molecular deformation mechanisms and thus accounts for the effects of different chemical compositions, crosslink density, functionality of the curing agent, etc., on the complete nonlinear stress-strain response including yield. The material parameters required by the model can be determined from test-tube quantities of a new resin in only a few days. Thus, we can obtain a first-order prediction of the applicability of a new resin for an advanced aerospace application without synthesizing the large quantities of material needed for failure testing. This technology will effect order-of-magnitude reductions in the time and expense required to develop new engineering polymers.

Caruthers, James M.↗

The infrared continuum spectrum of x ray illuminated molecular gas

In starburst galaxies, active galaxies, and the mysterious ultraluminous infrared galaxies, x rays are likely to interact with molecular gas and dust, thereby inducing infrared emission. X ray heated thermal dust will emit the IR continuum, and x ray photoelectrons will excite an IR emission-line spectrum. Here, researchers model the IR continuum emission characteristic of some selected x ray spectral fluxes, in particular the x ray bremsstrahlung characteristic of supernova and stellar wind bubble shocks in dense media and the power law spectra characteristic of active galactic nuclei. These models are part of a larger project to determine the complete IR spectra, lines plus continuum, of x ray sources embedded in molecular gas. They modeled the thermal emission from grains by calculating a grain temperature/size/composition distribution function, f(T,a,Comp.), which accounts for temperature fluctuations by averaging over all grain thermal histories. In determining the grain thermal distribution, researchers account for both direct grain heating (by x ray absorption and subsequent electron energy deposition) and indirect grain heating (by absorption of the UV emission stimulated by non-thermal photo- and Auger electrons in the gas phase). We let the grain size distribution be proportional to a(exp -3.5), and they consider two types of grain composition: graphites, which we assume to be pure carbon, and silicates, which contain all other depleted heavy elements. They derive the grain composition distribution function from solar abundances and interstellar depletion data.

Voit, G. Mark↗

Fullerene Machines

Recent computational efforts at NASA Ames Research Center and computation and experiment elsewhere suggest that a nanotechnology of machine phase functionalized fullerenes may be synthetically accessible and of great interest. We have computationally demonstrated that molecular gears fashioned from (14,0) single-walled carbon nanotubes and benzyne teeth should operate well at 50-100 gigahertz. Preliminary results suggest that these gears can be cooled by a helium atmosphere and a laser motor can power fullerene gears if a positive and negative charge have been added to form a dipole. In addition, we have unproven concepts based on experimental and computational evidence for support structures, computer control, a system architecture, a variety of components, and manufacture. Combining fullerene machines with the remarkable mechanical properties of carbon nanotubes, there is some reason to believe that a focused effort to develop fullerene nanotechnology could yield materials with tremendous properties.

Globus, Al↗

The arabidopsis thaliana AGRAVITROPIC 1 gene encodes a component of the polar-auxin-transport efflux carrier

Auxins are plant hormones that mediate many aspects of plant growth and development. In higher plants, auxins are polarly transported from sites of synthesis in the shoot apex to their sites of action in the basal regions of shoots and in roots. Polar auxin transport is an important aspect of auxin functions and is mediated by cellular influx and efflux carriers. Little is known about the molecular identity of its regulatory component, the efflux carrier [Estelle, M. (1996) Current Biol. 6, 1589-1591]. Here we show that mutations in the Arabidopsis thaliana AGRAVITROPIC 1 (AGR1) gene involved in root gravitropism confer increased root-growth sensitivity to auxin and decreased sensitivity to ethylene and an auxin transport inhibitor, and cause retention of exogenously added auxin in root tip cells. We used positional cloning to show that AGR1 encodes a putative transmembrane protein whose amino acid sequence shares homologies with bacterial transporters. When expressed in Saccharomyces cerevisiae, AGR1 promotes an increased efflux of radiolabeled IAA from the cells and confers increased resistance to fluoro-IAA, a toxic IAA-derived compound. AGR1 transcripts were localized to the root distal elongation zone, a region undergoing a curvature response upon gravistimulation. We have identified several AGR1-related genes in Arabidopsis, suggesting a global role of this gene family in the control of auxin-regulated growth and developmental processes.

Non-NASA Center↗

Low-Melt Polyamic Acid Based Powder Coatings

The present invention is directed to a method for powder coating a metal substrate using a low-melt polyamic acid (PAA) polymer that readily imidizes to polyimides. These low-melt PAAs have been shown to be useful in resins applied as powder coatings to metal surfaces. The resin includes an end-capping material capable of providing crosslinking functionality to at least one end of the low-melt PAA polymer. The end-capping material functions dually as a polymerization chain terminator and crosslinking agent, thus producing resins that have molecular weights low enough to flow well and form good cured films applicable for use in powder coating.

Jolley, Scott T.↗

Multi-Group Maximum Entropy Model for Translational Non-Equilibrium

The aim of the current work is to describe a new model for flows in translational non- equilibrium. Starting from the statistical description of a gas proposed by Boltzmann, the model relies on a domain decomposition technique in velocity space. Using the maximum entropy principle, the logarithm of the distribution function in each velocity sub-domain (group) is expressed with a power series in molecular velocity. New governing equations are obtained using the method of weighted residuals by taking the velocity moments of the Boltzmann equation. The model is applied to a spatially homogeneous Boltzmann equation with a Bhatnagar-Gross-Krook1(BGK) model collision operator and the relaxation of an initial non-equilibrium distribution to a Maxwellian is studied using the model. In addition, numerical results obtained using the model for a 1D shock tube problem are also reported.

Entropy↗

An Optical Study of the Faint End of the Stellar Luminosity Function

We implement a new method by which to study the faint end of the field star luminosity function. The method relies on deep, multicolor photometry of fields projected against highly obscured, nearby molecular clouds. The clouds act as nearly opaque screens and delimit a well- defined survey volume which is in principle free of the problem of distinguishing nearby, intrinsically faint dwarf stars from more distant red giants. This study is based upon deep photographic and CCD photometry at optical (V,R,I) bandpasses towards the most highly obscured portions of the Taurus and Ophiuchus molecular clouds. The total volume delimited by the clouds is similar 200 pc^3. Within this region our survey is complete for all stars brighter than M_v = 16 - 17 mag; at R and I, the survey is complete down to the lowest mass stars capable of sustaining core hydrogen burning...

Herbst, W.↗

Confirmation of the predicted Hartree-Fock limit in BeH sub 2.

We have recently estimated the total energy of the BeH 2 molecule as -15.918 ± 0.015 au. One of the steps in the analysis was to estimate the difference between the SCF energies computed with a minimal basis set of Slater orbits and with the best possible single-determinant wave function, the so-called Hartree-Fock limit and was predicted to be -15.773 ± 0.007 au for BeH 2 .

Molecular energy↗

Isotope Effects in Collisional VT Relaxation of Molecular Hydrogen

A simple exponential-potential model of molecular collisions leads to a two-parameter analytic expression for rates of collisionally induced vibrational-translation (VT) energy exchange that has been shown to be accurate over variations of orders of magnitude as a function of temperature in a variety of systems. This includes excellent agreement with reported experimental and theoretical results for the fundamental self-relaxation rate of molecular hydrogen H2(v = 1) + H2 yields H2(v = 0) + H2. The analytic rate successfully follows the five-orders-of-magnitude change in experimental values for the temperature range 50-2000 K. This approach is now applied to isotope effects in the vibrational relaxation rates of excited HD and D2 in collision with H2: HD(v = 1)+H2 yields HD(v = 0)+H2 and D2(v = 1)+H2 yields D2(v = 0)+H2. The simplicity of the analytic expression for the thermal rate lends itself to convenient application in modeling the evolving vibrational populations of molecular hydrogen in shocked astrophysical environments.

Bieniek, R. J.↗

Mechanical signaling and the cellular response to extracellular matrix in angiogenesis and cardiovascular physiology

Great advances have been made in the identification of the soluble angiogenic factors, insoluble extracellular matrix (ECM) molecules, and receptor signaling pathways that mediate control of angiogenesis--the growth of blood capillaries. This review focuses on work that explores how endothelial cells integrate these chemical signals with mechanical cues from their local tissue microenvironment so as to produce functional capillary networks that exhibit specialized form as well as function. These studies have revealed that ECM governs whether an endothelial cell will switch between growth, differentiation, motility, or apoptosis programs in response to a soluble stimulus based on its ability to mechanically resist cell tractional forces and thereby produce cell and cytoskeletal distortion. Transmembrane integrin receptors play a key role in this mechanochemical transduction process because they both organize a cytoskeletal signaling complex within the focal adhesion and preferentially focus mechanical forces on this site. Molecular filaments within the internal cytoskeleton--microfilaments, microtubules, and intermediate filaments--also contribute to the cell's structural and functional response to mechanical stress through their role as discrete support elements within a tensegrity-stabilized cytoskeletal array. Importantly, a similar form of mechanical control also has been shown to be involved in the regulation of contractility in vascular smooth muscle cells and cardiac myocytes. Thus, the mechanism by which cells perform mechanochemical transduction and the implications of these findings for morphogenetic control are discussed in the wider context of vascular development and cardiovascular physiology.

Non-NASA Center↗

Influence of substrate misorientation on defect and impurity incorporation in GaAs/AlGaAs heterostructures grown by molecular-beam epitaxy

GaAS/AlGaAs heterostructures have been grown by molecular-beam epitaxy on GaAs substrates intentionally oriented (tilted) a few degrees (0-6.5) off the (001) plane towards either (111)A, (111)B, or (011). It was observed that the 4-K photoluminescence and low-field electron transport properties of these structures may be functions of the substrate tilt angle and tilt direction, depending on the concentration of impurities incorporated during growth. A substrate tilt during molecular-beam epitaxy is observed to have the largest effect on these properties when the background impurity concentration in the molecular-beam epitaxial machine is high. This supports the contention that the observed changes in material characteristics are due to differences in the incorporation of defects and impurities. The incorporation of defects and impurities are reduced by using substrates tilted toward (111)A, in comparison to nominally flat (001) substrates or substrates tilted toward (111)B.

Radulescu, D. C.↗

Low-energy auroral electrons

A measurement of the low-energy auroral electron flux distribution between 0.5 and 80 eV reveals structure between 0.5 and 10.0 eV. The structure is due to the thermal electron Maxwellian distribution and electron energy loss to thermal electrons, molecular nitrogen, and atomic oxygen. Some physical process in the auroral plasma causes the deduced loss function to differ from theory. Reasonable agreement is obtained between calculated and measured N2 second positive emission.

Sharp, W. E.↗

Lower bounds to energies for cusped-gaussian wavefunctions

Calculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.

Eaves, J. O.↗

Bioprocessing development: Immune/cellular applications: Anti-Ig autoantibody and complement-mediated destruction of neoplastic cells

This space bioprocessing contract effort was comprised of four general objectives. These were: (1) the evaluation of current separation processes, (2) the identification of problems relevant to the separation of important biologicals, (3) the identification of ground-based assay methods needed for pre- and postflight analysis of space bioprocessing separation technology; and (4) the establishment of methods to determine the efficiency of space bioprocessing separation procedures. Immunology was deemed advantageous to study the diversity of cells and cell products involved and the extensive interest being given to their separation. Upon recognition of a cellular or molecular agent as foreign to the body, the immune system becomes activated to produce cells whose function is to destroy that agent and cell products whose function is to inactivate the agent and assist in its destruction. Long after the agent is removed from the body, some cells remain in a state of readiness to continue these destructive actions specifically against that agent should further exposure to it occur. This is the basis of acquired immunity to disease.

Twomey, J. J.↗

Thioredoxins in evolutionarily primitive organisms

Thioredoxins are low molecular weight redox proteins, alternating between the S-S (oxidized) and SH (reduced) states, that function in a number of biochemical processes, including DNA synthesis, DNA replication, and enzyme regulation. Until recently, reduced ferredoxin was known to serve as the source of reducing power for the reduction of thioredoxins only in oxygenic photosynthetic cells. In all other organisms, the source of hydrogen (electrons) for thioredoxin reduction was considered to be NADPH. It was found that Clostridium pasteurianum, an anaerobic organism normally living in the soil unexposed to light, resembles photosynthetic cells in using ferredoxin for the reduction of thioredoxin. The results reveal the existence of a pathway in which ferredoxin, provides the reducing power for the reduction of thioredoxin via the flavoprotein enzyme, ferredoxinthioredoxin reductase. In related studies, it was found that Chromatium vinosum, an anaerobic photosynthetic purple sulfur bacterium, resembles evolutionarily more advanced micro-organisms in having an NADP-thioredoxin system composed of a single thioredoxin which is reduced by NADPH via NADP-thioredoxin reductase. The adoption of the NADP-thioredoxin system by Chromatium seems appropriate in view of evidence tha the organi sm utilizes ATP-driven reverse electron transport. Finally, results of research directed towards the identification of target enzymes of the ferredoxin/thioredoxin system in a cyanobacterium (Nostoc muscorum), show that thioredoxin-linked photosynthetic enzymes of cyanobateria are similar to those of chloroplasts. It now seems that the ferredoxin/thioredoxin system functions in regulating CO2 assimilation via the reductive pentose phosphate cycle in oxygenic but not anoxygenic photosynthetic cells.

Buchanan, B. B.↗