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At least 703 records · Page 39

A survey of the millimeter-wave spectrum of Sagittarius B2

More than 60 percent of the millimeter wave spectrum between 70 and 150 GHz of the giant Sgr B2 molecular cloud was surveyed with the Bell Laboratories 7 m telescope at a spectral resolution of 1 MHz. The observations and instrumentation are described, including beam efficiency and beamwidth as functions of frequency, frequency coverage, and rms noise. The catalog used to identify the 457 lines found is summarized, and the analysis of the data to determine column densities and rotational temperatures is discussed. The range of rotational temperatures obtained and their relation to the kinetic temperature, and their implications for the hydrogen density, are considered. More than 300 lines are transitions of 21 molecules, and the results for these are analyzed, giving excitation diagrams for most of them. A partly successful attempt is made to use ratios of the calculated abundances to predict abundances of as yet undetected species. Finally, the spectra for the entire survey are presented.

Cummins, S. E.↗

Far-infrared and submillimeter observations of interstellar clouds

Research in the use of FIR and sub-mm lines to provide data relevant to astrochemistry is examined. Spectroscopic features in the FIR and sub-mm are dominated by transitions from species of atoms and atomic ions, metal hydrides, and heavy molecules. The data of Lester et al.(1983) and Dinerstein et al. (1984) on the N/O abundance ratio are discussed. The N/O abundance ratio is analyzed as a function of the galactic radius, and the procedure for determining the N/O abundance ratio from the FIR and sub-mm lines is given. The conditions at the surface of molecular clouds and the chemical profile of molecular clouds are studied in the forbidden lines O I 63.18 and 145.53 microns and the forbidden line C II 157.74 microns. Results of recent FIR/sub-mm observations of post-shocked gas which relate to modeling the chemical processing that occurs in the wake of shock waves are considered.

Melnick, Gary↗

Rotational and translational effects in collisions of electronically excited diatomic hydrides

Collisional quenching and vibrational energy proceed competitively with rotational energy transfer for several excited states of the diatomic radicals OH, NH, and CH. This occurs for a wide variety of molecular collision partners. This phenomenon permits the examination of the influence of rotational motion on the collision dynamics of these theoretically tractable species. Measurements can also be made as a function of temperature, i.e., collision velocity. In OH (sup 2 sigma +), both vibrational transfer and quenching are found to decrease with an increase in rotational level, while quenching decreases with increasing temperature. This behavior indicates that for OH, anisotropic attractive forces govern the entrance channel dynamics for these collisions. The quenching of NH (sup 3 pi sub i) by many (although not all) collision partners also decreases with increasing rotational and translational energy, and NH (sup 1 pi) behaves much like OH (sup 2 sigma +). However, the quenching of CH (sup 2 delta) appears to decrease with increasing rotation but increases with increasing temperature, suggesting in this case anisotropic forces involving a barrier or repulsive wall. Such similarities and differences should furnish useful comparisons with both simple and detailed theoretical pictures of the appropriate collision dynamics.

Crosley, David R.↗

HCO(+) ionization from SGR1806-20

The region surrounding the soft gamma ray repeater SGR 1806-20 in the HCO(+) (J = 1-0) transition was observed. Previous observations of compact Galactic objects suggest that a link exists between these objects and molecular clouds in which they are possibly embedded. Such a link would help explain some of the phenomena observed from these objects. A measure of the ionization rate as a function of distance from the source implies that the cloud is associated with the source. The abundance of HCO(+), which varies with increasing or decreasing ionization rates, is considered to be an ideal tool for this measurement. The observations acquired in the direction of the nebula surrounding SGR 1806-20 are presented, and the resulting 7 x 12 arcmin map derived from the HCO(+) data is shown.

Hannikainen, D.↗

International Research Project on the Effects of Chemical Ageing of Polymers on Performance Properties: Chemical and Thermal Analysis

Work during the past six months has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted small changes in the molecular weight distribution. Again these changes may result in variations in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, Ultra- Violet Scanning Analysis, GC/Mass Spectrometry, Differential Scanning Calorimetry and Thermomechanical Analysis. In the ultra-violet analysis we noted the presence of an absorption band indicative of triene formation. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. We also cast films at SWT and subjected these films to a refluxing methanol 1% ethylene diamine solution. An updated literature search was conducted using Dialog and DROLLS to identify any new papers that may have been published in the open literature since the start of this project. The updated literature search and abstracts are contained in the Appendix section of this report.

Bulluck, J. W.↗

Experiments with suspended cells on the Space Shuttle

Spaceflight experiments since 1981 have demonstrated that certain cell functions are altered by micro-g. Biophysical models suggest that cell membranes and organelles should not be affected directly by gravity, however, the chemical microenvironment surrounding the cell and molecular transport could be altered by reduced gravity. Most experiments have used suspended live cells in small chambers without stirring or medium exchange. Flight results include increased attachment of anchorage-dependent human cells to collagen coated microcarriers, reduced secretion of growth hormone from pituitary cells, decreased mitogenic response of lymphocytes, increased Interferon-alpha by lymphocytes, increased Interleukin-1 and Tumor Necrosis Factor secretion by macrophages. Related experiments on cells immediately postflight and on procaryotic cells have shown significant changes in secretory capacity, cell proliferation, differentiation and development. Postulated mechanism include altered cell-cell interactions, altered calcium ion transport, effects on cell cytoskeleton, transport of transmitters and interactions with receptors. The discussion includes use of new molecular methods, considerations for cell environmental control and a preview of several experiments planned for the Shuttle and Spacelab flights to study the basic effects of microgravity on cellular physiology and potential interactions of spaceflight with radiation damage and cellular repair mechanisms.

Review↗

Stress-Dependent Voltage Offsets From Polymer Insulators Used in Rock Mechanics and Material Testing

Dielectric insulators are used in a variety of laboratory settings when performing experiments in rock mechanics, petrology, and electromagnetic studies of rocks in the fields of geophysics,material science, and civil engineering. These components may be used to electrically isolate geological samples from the experimental equipment, to perform a mechanical compliance function between brittle samples and the loading equipment, to match ultrasonic transducers, or perform other functions. In manyexperimental configurations the insulators bear the full brunt of force applied to the sample but do not need to withstand high voltages, therefore the insulators are often thin sheets of mechanically tough polymers. From an instrument perspective, transduction from various types of mechanical perturbation has beenqualitatively compared for a number of polymers [1, 2] and these error sources are readily apparent duringhigh-impedance measurements if not mitigated. However even when following best practices, a force dependent voltage signal still remains and its behavior is explored in this presentation. In this experimenttwo thin sheets (0.25 mm) of high-density polyethylene (HDPE) were set up in a stack, held alternatelybetween three aluminum bars; this stack was placed on the platen of a 60T capacity hydraulic testingmachine. The surface area, A, over which the force is applied to the PE sheets in this sandwich is roughly 40 square cm, each sheet forming a parallel-plate capacitor having roughly 320 pF [3], assuming therelative dielectric permittivity of PE is approximately 2.3. The outer two aluminum bars were connected to the LO input ofthe electrometer and the central aluminum bar was connected to the HI input of a Keithley model 617 electrometer. Once the stack is mechanically well-seated with no air gaps, the voltage offset is observed tobe a linear function of the baseline voltage for a given change in applied force. For a periodically appliedforce of 66.7 kN the voltage offsets were measured as a function of initial voltage, and these data were fitwith a linear function that was constrained to pass through the origin. The best fit solution had a correlation coefficient of R=0.85 and a slope of approximately -0.0228 volts/volt. The voltage offset when normalizedis demonstrated to be constant -2.28% for both positive and negative polarities over nearly 3 orders ofbaseline voltage magnitude. From this, the voltage-force coefficient is derived to be -0.34 ppm/N. Thiscorrelates well to a first-order parallel plate capacitor model that assumes constant area, and smalldeformation such that the polymer may be mechanically modeled by a spring that obeys Hookes law. Thissimple model predicts that the coefficient of proportionality is a function of Youngs modulus E= 0.8 GPaand surface area of the insulator, theoretically -1EA= -0.31 ppm/N. The outcome of this work is animproved insulator made from ultra-high molecular weight (UHMW) polyethylene and other approachestoward the minimization of and compensation for these experimental artifacts.

Electromagnetic Studies of Rocks↗

Modeling study on the cleavage step of the self-splicing reaction in group I introns

A three-dimensional model of the Tetrahymena thermophila group I intron is used to further explore the catalytic mechanism of the transphosphorylation reaction of the cleavage step. Based on the coordinates of the catalytic core model proposed by Michel and Westhof (Michel, F., Westhof, E. J. Mol. Biol. 216, 585-610 (1990)), we first converted their ligation step model into a model of the cleavage step by the substitution of several bases and the removal of helix P9. Next, an attempt to place a trigonal bipyramidal transition state model in the active site revealed that this modified model for the cleavage step could not accommodate the transition state due to insufficient space. A lowering of P1 helix relative to surrounding helices provided the additional space required. Simultaneously, it provided a better starting geometry to model the molecular contacts proposed by Pyle et al. (Pyle, A. M., Murphy, F. L., Cech, T. R. Nature 358, 123-128. (1992)), based on mutational studies involving the J8/7 segment. Two hydrated Mg2+ complexes were placed in the active site of the ribozyme model, using the crystal structure of the functionally similar Klenow fragment (Beese, L.S., Steitz, T.A. EMBO J. 10, 25-33 (1991)) as a guide. The presence of two metal ions in the active site of the intron differs from previous models, which incorporate one metal ion in the catalytic site to fulfill the postulated roles of Mg2+ in catalysis. The reaction profile is simulated based on a trigonal bipyramidal transition state, and the role of the hydrated Mg2+ complexes in catalysis is further explored using molecular orbital calculations.

NASA Discipline Exobiology↗

Biowaste resistojet propellant system biological and functional analysis, task 3

Exhaust flow contamination aspects of the biowaste resistojet are studied by evaluating effects of operating pressure, temperature and composition. Biowaste propellant mixtures considered are comprised of: (1) The Sabatier reactor effluent; (2) the effluent of the cabin carbon dioxide molecular sieve; and (3) water and water vapor from various sources. Results show that plume shapes of resistojet thrusters in the 25 to 100 mlb range exhibit greater apex angles for a given density contour than a scaled inviscid jet. Operation at low thrust, low pressure and high temperature accentuates this pluming due to viscous effects in the nozzle flow. Since the biowaste resistojet effluent is traveling at high velocity in the plume away from the aircraft it is found to be a superior method of damping than the ambient venting.

Source record↗

Galatry profile convolved with the Fabry-Perot instrument function

The physical conditions in laboratory gases and in the upper atmosphere of the planets, including earth, can be deduced from a measurement of the intensity and line profile of different radiating molecules. Because of the low pressures in the upper atmospheres, many molecular lines with small pressure-broadening coefficients are collisionally narrowed. These lines are resolvable with a Fabry-Perot interferometer. Analytical expressions are given relating the measured line intensity and profile to the true line intensity and profile. A deconvolution of the measured profile gives the parameters A, beta, and K characterizing the collisionally narrowed Galatry profile. General expressions for the nonideal interferometer are discussed, and, specifically, mirror defects and a limited detector aperture are treated.

Goorvitch, D.↗

Theoretical studies of a molecular beam generator

We consider the problem of modeling a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem is modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann population distribution which means that each degree of freedom has its own temperature and consequently each system state can be characterized by these temperatures. This suggests the formulation of a second model with a vibrational degree of freedom as having its own temperature along with a rotational-translational degree of freedom with its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas expands through the nozzle throat there is a sudden drop in the rotational-translational temperature along with a finite relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translational degree of freedom. That is, the temperature change that occurs when the N2 gas passes through the nozzle throat is so great that the changes in the vibrational degree of freedom lags behind the rotational-translational energy changes. The resulting relaxation time is finite. It is in this context that the term nonequilibrium is used. That is, the term nonequilibrium denotes the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions resulting from the high temperatures which could also add nonequilibrium effects. We develop the basic equations for the two models in various forms in order to check the derivations with other sources. The final form which is solved numerically consists of the scaled equations in a conservative dimensionless form.

Heinbockel, John H.↗

Molecular characterization of sulfate-reducing bacteria in the Guaymas Basin

The Guaymas Basin (Gulf of California) is a hydrothermal vent site where thermal alteration of deposited planktonic and terrestrial organic matter forms petroliferous material which supports diverse sulfate-reducing bacteria. We explored the phylogenetic and functional diversity of the sulfate-reducing bacteria by characterizing PCR-amplified dissimilatory sulfite reductase (dsrAB) and 16S rRNA genes from the upper 4 cm of the Guaymas sediment. The dsrAB sequences revealed that there was a major clade closely related to the acetate-oxidizing delta-proteobacterial genus Desulfobacter and a clade of novel, deeply branching dsr sequences related to environmental dsr sequences from marine sediments in Aarhus Bay and Kysing Fjord (Denmark). Other dsr clones were affiliated with gram-positive thermophilic sulfate reducers (genus Desulfotomaculum) and the delta-proteobacterial species Desulforhabdus amnigena and Thermodesulforhabdus norvegica. Phylogenetic analysis of 16S rRNAs from the same environmental samples resulted in identification of four clones affiliated with Desulfobacterium niacini, a member of the acetate-oxidizing, nutritionally versatile genus Desulfobacterium, and one clone related to Desulfobacula toluolica and Desulfotignum balticum. Other bacterial 16S rRNA bacterial phylotypes were represented by non-sulfate reducers and uncultured lineages with unknown physiology, like OP9, OP8, as well as a group with no clear affiliation. In summary, analyses of both 16S rRNA and dsrAB clone libraries resulted in identification of members of the Desulfobacteriales in the Guaymas sediments. In addition, the dsrAB sequencing approach revealed a novel group of sulfate-reducing prokaryotes that could not be identified by 16S rRNA sequencing.

Non-programmatic↗

Computational Study on Full-length Human Ku70 with Double Stranded DNA: Dynamics, Interactions and Functional Implications

The Ku70/80 heterodimer is the first repair protein in the initial binding of double-strand break (DSB) ends following DNA damage, and is a component of nonhomologous end joining repair, the primary pathway for DSB repair in mammalian cells. In this study we constructed a full-length human Ku70 structure based on its crystal structure, and performed 20 ns conventional molecular dynamic (CMD) simulations on this protein and several other complexes with short DNA duplexes of different sequences. The trajectories of these simulations indicated that, without the topological support of Ku80, the residues in the bridge and C-terminal arm of Ku70 are more flexible than other experimentally identified domains. We studied the two missing loops in the crystal structure and predicted that they are also very flexible. Simulations revealed that they make an important contribution to the Ku70 interaction with DNA. Dislocation of the previously studied SAP domain was observed in several systems, implying its role in DNA binding. Targeted molecular dynamic (TMD) simulation was also performed for one system with a far-away 14bp DNA duplex. The TMD trajectory and energetic analysis disclosed detailed interactions of the DNA-binding residues during the DNA dislocation, and revealed a possible conformational transition for a DSB end when encountering Ku70 in solution. Compared to experimentally based analysis, this study identified more detailed interactions between DNA and Ku70. Free energy analysis indicated Ku70 alone is able to bind DNA with relatively high affinity, with consistent contributions from various domains of Ku70 in different systems. The functional implications of these domains in the processes of Ku heterodimerization and DNA damage recognition and repair can be characterized in detail based upon this analysis.

Hu, Shaowen↗

2 mm GISMO Observations of the Galactic Center. II. A Nonthermal Filament in the Radio Arc and Compact Sources

We have used the Goddard IRAM 2 Millimeter Observer (GISMO) with the 30 m IRAM telescope to carry out a 2 mm survey of the Galaxy’s central molecular zone. These observations detect thermal emission from cold interstellar medium dust, thermal free–free emission from ionized gas, and nonthermal synchrotron emission from relatively flat-spectrum sources. Archival data sets spanning 3.6 μm–90 cm are used to distinguish different emission mechanisms. After the thermal emission of dust is modeled and subtracted, the remaining 2 mm emission is dominated by free–free emission, with the exception of the brightest nonthermal filament (NTF) that runs through the middle of the bundle of filaments known as the Radio Arc. This is the shortest wavelength at which any NTF has been detected. The GISMO observations clearly trace this NTF over a length of ∼0°. 2, with a mean 2 mm spectral index that is steeper than at longer wavelengths. The 2 mm–6 cm (or 20 cm) spectral index steepens from α ≈ −0.2 to −0.7 as a function distance from the Sickle H II region, suggesting that this region is directly related to the NTF. A number of unresolved (at 21″) 2 mm sources are found nearby. One appears to be thermal dust emission from a molecular cloud that is associated with an enigmatic radio point source whose connection to the Radio Arc is still debated. The morphology and colors at shorter IR wavelengths indicate other 2 mm unresolved sources are likely to be compact H II regions.

Staguhn, Johannes↗

Electron paramagnetic resonance study of two smectic A liquid crystals.

Study of the molecular ordering in two smectic A liquid crystals using vanadyl acetylacetonate as a paramagnetic probe. The average hyperfine splitting of the spectrum in the smectic A mesophase is measured as a function of the orientation relative to the dc magnetic field of the spectrometer after alignment of the molecules of the liquid crystal.

Fryburg, G. C.↗

Thermodynamic properties of hydrogen-helium plasmas.

Calculation of the thermodynamic properties of an atomic hydrogen-helium plasma for postulated conditions present in a stagnation shock layer of a spacecraft entering the atmosphere of Jupiter. These properties can be used to evaluate transport properties, to calculate convective heating, and to investigate nonequilibrium behavior. The calculations have been made for temperatures from 10,000 to 100,000 K, densities of 10 to the minus 7th and .00001 g cu cm, and three plasma compositions: pure hydrogen, 50% hydrogen/50% helium, and pure helium. The shock layer plasma consists of electrons, protons, atomic hydrogen, atomic helium, singly ionized helium, and doubly atomized helium. The thermodynamic properties which have been investigated are: pressure, average molecular weight, internal energy, enthalpy, entropy, specific heat, and isentropic speed of sound. A consistent model was used for the reduction of the ionization potential in the calculation of the partition functions.

Nelson, H. F.↗

Treatment of atomic and molecular line blanketing by opacity sampling

An opacity sampling (OS) technique for treating the radiative opacity of large numbers of atomic and molecular lines in cool stellar atmospheres is presented. Tests were conducted and results show that the structure of atmospheric models is accurately fixed by the use of 1000 frequency points, and 500 frequency points is often adequate. The effects of atomic and molecular lines are separately studied. A test model computed by using the OS method agrees very well with a model having identical atmospheric parameters computed by the giant line (opacity distribution function) method.

Johnson, H. R.↗

Treatment of atomic and molecular line blanketing by opacity sampling

A sampling technique for treating the radiative opacity of large numbers of atomic and molecular lines in cool stellar atmospheres is subjected to several tests. In this opacity sampling (OS) technique, the global opacity is sampled at only a selected set of frequencies, and at each of these frequencies the total monochromatic opacity is obtained by summing the contribution of every relevant atomic and molecular line. In accord with previous results, we find that the structure of atmospheric models is accurately fixed by the use of 1000 frequency points, and 100 frequency points are adequate for many purposes. The effects of atomic and molecular lines are separately studied. A test model computed using the OS method agrees very well with a model having identical atmospheric parameters, but computed with the giant line (opacity distribution function) method.

Johnson, H. R.↗