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Results for “MOLECULAR INTERACTION”

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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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Oxygen plasmas used to synthesize superoxides

Production of alkali metal superoxides by interaction of molecular oxygen with alkali metals or their salts is discussed. Diagram of reactor to show components and operating principles is provided. Analysis of chemical reactions involved is developed.

Hollahan, J. R.↗
NASA NTRS1976

Electronic states of Zn2 - Ab initio calculations of a prototype for Hg2

The electronic states of Zn2 are investigated by ab initio polarization configuration-interaction calculations. Molecular states dissociating to Zn(1S) + Zn(1S, 3P, 1P) and Zn(3P) + Zn(3P) are treated. Important effects from states arising from Zn(+)(25) + Zn(-)(2P) are found in the potential-energy curves and electronic-transition moments. A model calculation for Hg2 based on the Zn2 curves and including spin-orbit coupling leads to a new interpretation of the emission bands in Hg vapor.

Hay, P. J.↗
NASA NTRS1994

A high resolution liquid xenon imaging telescope for 0.3-10 MeV gamma-ray astrophysics: Construction and initial balloon flights

An instrument is described which will provide a direct image of gamma-ray line or continuum sources in the energy range 300 keV to 10 MeV. The use of this instrument to study the celestial distribution of the (exp 26)Al isotope by observing the 1.809 MeV deexcitation gamma-ray line is illustrated. The source location accuracy is 2' or better. The imaging telescope is a liquid xenon time projection chamber coupled with a coded aperture mask (LXe-CAT). This instrument will confirm and extend the COMPTEL observations from the Compton Gamma-Ray Observatory (CGRO) with an improved capability for identifying the actual Galactic source or sources of (exp 26)Al, which are currently not known with certainty. sources currently under consideration include red giants on the asymptotic giant branch (AGB), novae, Type 1b or Type 2 supernovae, Wolf-Rayet stars and cosmic-rays interacting in molecular clouds. The instrument could also identify a local source of the celestial 1.809 MeV gamma-ray line, such as a recent nearby supernova.

Aprile, Elena↗
NASA NTRS1995

Understanding COMPTEL Al-26 1.8 MeV map features

The COMPTEL sky map of the 1.8 MeV line emission from Al-26 shows an extended diffuse distribution along the Galactic plane with a peculiar large scale asymmetry about the Galactic center (GC) and a clumpy structure with several noticeable hot spots. The most prominent hot spot at the GC appears shifted to positive longitude by about 2 deg. Nearby supernova remnants or Wolf-Rayet stars are plausible explanations for individual hot spots such as in the Vela region. We show that the global asymmetry and most hot spots can be understood by a more general model: the Al-26 sources are confined in the spiral arms of our Galaxy, and coagent star formation is responsible for additional clumpiness. The off-centered GC hot spot is probably due to the observed asymmetrically distributed circumnuclear molecular gas interacting with a central stellar bar, whose existence has been inferred from IR observations.

Chen, Wan↗
NASA NTRS2002

Assembly of Colloidal Materials Using Bioadhesive Interactions

We have pursued the use of biological crosslinking molecules of several types to make colloidal materials at relatively low volume fraction of colloidal particles. The objective is to make binary alloys of colloidal particles, made of two different colloidal particles coated with complementary biological lock-and-key binding molecules, which assemble due to the biological specificity. The long-term goal is to use low affinity lock-and-key biological interactions, so that the can anneal to form crystalline states. We have used a variety of different surface chemistries in order to make colloidal materials. Our first system involved using selectin-carbohydrate (sialyl-Lewis) interactions; this chemistry is derived from immune system. This chemical interaction is of relatively low affinity, with timescales for dissociation of several seconds. Furthermore, the adhesion mediated by these molecules can be reversed by the chelation of calcium atoms; thus assembled structures can be disassembled reversibly. Our second system employed avidin-biotin chemistry. This well-studied system is of high affinity, and is generally irreversible on a laboratory time-scale. Thus, we would expect selectin-carbohydrate interactions at high molecular density and avidin-biotin interactions to give kinetically-trapped structures; however, at low densities, we would expect significant differences in the structure and dynamics of the two materials, owing to their very different release rates. We have also begun to use a third chemistry - DNA hybridization. By attaching single stranded DNA oligonucleotide chains to beads, we can drive the assembly of colloidal materials by hybridization of complementary DNA chains. It is well known that DNA adenosine-thymine (A-T) and guanine-cytosine (G-C) bases hybridize pairwise with a Gibbs free energy change of 1.7 kcal/mol per base; thus, the energy of the assembly can be modulated by altering the number of complementary bases in the DNA chains. Using these different crosslinking molecules, we have assembled colloidal materials from different-sized colloidal particles, A and B. In the first sets of experiment, we used high densities of adhesion molecules, and 0.96 micron (A) and 5.5 micron (B) diameter particles. The high density of adhesion molecules means that the structures are kinetically trapped in nonequilibrium configurations. The structure of the suspension can be varied by changing the number ratio of the two types of colloidal particles, NA and NB, where A is the smaller particle. With carbohydrate-selectin or avidin-biotin interactions, large NA/NB leads to the formation of colloidal micelles, with the large center B particle surrounded by many smaller A particles. As the ratio NA/NB decreases, the structures become more extended, approaching the formation of macro-Rouse polymers - extended linear chains where A beads are connected with intervening small B linkers.

Hammer, Daniel A.↗
NASA NTRS1996

Interactions of anesthetics with the membrane-water interface

Although the potency of conventional anesthetics correlates with lipophilicity, an affinity to water also is essential. It was recently found that compounds with very low affinities to water do not produce anesthesia regardless of their lipophilicity. This finding implies that clinical anesthesia might arise because of interactions at molecular sites near the interface of neuronal membranes with the aqueous environment and, therefore, might require increased concentrations of anesthetic molecules at membrane interfaces. As an initial test of this hypothesis, we calculated in molecular dynamics simulations the free energy profiles for the transfer of anesthetic 1,1,2-trifluoroethane and nonanesthetic perfluoroethane across water-membrane and water-hexane interfaces. Consistent with the hypothesis, it was found that trifluoroethane, but not perfluoroethane, exhibits a free energy minimum and, therefore, increased concentrations at both interfaces. The transfer of trifluoroethane from water to the nonpolar hexane or interior of the membrane is accompanied by a considerable, solvent-induced shift in the conformational equilibrium around the C-C bond.

NASA Center ARC↗
NASA NTRS2008

X-Ray Emitting Ejecta in Puppis A Observed with Suzaku

We report the detection and localization of X-ray emitting ejecta in the middle-aged Galactic supernova remnant Puppis A using five observations with the Suzaku X-ray Imaging Spectrometer to survey the eastern and middle portions of the remnant. A roughly 3' x 5', double-peaked region in the north center is found to be highly enriched in Si and other elements relative to the rest of the remnant. The X-ray fitted abundances are otherwise well below the solar values. While the ejecta-enhanced regions show some variation of relative element abundances, there is little evidence for a very strong enhancement of one element over the others in the imaged portion of the remnant, except possibly for a region of 0 and Ne enhancement in the remnant's south center. There is no spatial correlation between the compact [0 1111 emitting ejecta knots seen optically and the abundance enhancements seen in X-rays, although they are located in the same vicinity. The map of fitted column density shows strong variations across the remnant that echo earlier X-ray spectral hardness maps. The ionization age (as fitted for single temperature models) is sharply higher in a ridge behind the northeast-east boundary of the remnant, and is probably related to the strong molecular cloud interaction along that boundary. The temperature map, by comparison, shows relatively weak variations.

Hwang, U.↗
NASA NTRS2012

Cosmic Ray Studies with the Fermi Gamma-ray Space Telescope Large Area Telescope

The Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope provides both direct and indirect measurements of galactic cosmic rays (CR). The LAT high-statistics observations of the 7 GeV - 1 TeV electron plus positron spectrum and limits on spatial anisotropy constrain models for this cosmic-ray component. On a galactic scale, the LAT observations indicate that cosmic-ray sources may be more plentiful in the outer Galaxy than expected or that the scale height of the cosmic-ray diffusive halo is larger than conventional models. Production of cosmic rays in supernova remnants (SNR) is supported by the LAT gamma-ray studies of several of these, both young SNR and those interacting with molecular clouds.

Thompson, David J.↗
NASA NTRS2011

Cosmic Ray Studies with the Fermi Gamma-ray Space Telescope Large Area Telescope

The Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope provides both direct and indirect measurements of Galactic cosmic rays (CR). The LAT high-statistics observations of the 7 GeV - 1 TcV electron plus positron spectrum and limits on spatial anisotropy constrain models for this cosmic-ray component. On a Galactic scale, the LAT observations indicate that cosmic-ray sources may be more plentiful in the outer Galaxy than expected or that the scale height of the cosmic-ray diffusive halo is larger than conventional models. Production of cosmic rays in supernova remnants (SNR) is supported by the LAT gamma-ray studies of several of these, both young SNR and those interacting with molecular clouds.

Thompson, D. J.↗
NASA NTRS2015

The Structure, Anharmonic Vibrational Frequencies, and Intensities of NNHNN+

A semi-global potential energy surface (PES) and quartic force field (QFF) based on fitting high-level electronic structure energies are presented to describe the structures and spectroscopic properties of NNHNN+. The equilibrium structure of NNHNN+ is linear with the proton equidistant between the two nitrogen groups and thus of D(sub ∞h) symmetry. Vibrational second-order perturbation theory (VPT2) calculations based on the QFF fails to describe the proton “rattle” motion, i.e., the antisymmetric proton stretch, due to the very flat nature of PES around the global minimum, but performs properly for other modes with sharper potential wells. Vibrational self-consistent field/virtual state configuration interaction (VSCF/VCI) calculations using a version of MULTIMODE without angular momentum terms successfully describe this motion and predict the fundamental to be at 759 cm(exp -1). This is in good agreement with the value of 746 cm(exp -1) from a fixed-node diffusion Monte Carlo calculation and the experimental Ar-tagged result of 743 cm(exp -1). Other VSCF/VCI energies are in good agreement with other experimentally reported ones. Both double-harmonic intensity and rigorous MULTIMODE intensity calculations show the proton transfer fundamental has a very strong intensity.

Astrochemistry↗