Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “molecular data”

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 541 records · Page 30

Computer display and manipulation of biological molecules

This paper describes a computer model that was designed to investigate the conformation of molecules, macromolecules and subsequent complexes. Utilizing an advanced 3-D dynamic computer display system, the model is sufficiently versatile to accommodate a large variety of molecular input and to generate data for multiple purposes such as visual representation of conformational changes, and calculation of conformation and interaction energy. Molecules can be built on the basis of several levels of information. These include the specification of atomic coordinates and connectivities and the grouping of building blocks and duplicated substructures using symmetry rules found in crystals and polymers such as proteins and nucleic acids. Called AIMS (Ames Interactive Molecular modeling System), the model is now being used to study pre-biotic molecular evolution toward life.

Coeckelenbergh, Y.↗

Ultraviolet observations of interstellar extinction near the Cepheus OB3 molecular cloud

New IUE observations and available data for O and B stars new Cep OB3 are presented, and extinction curves for the stars are derived. The differences in those curves are examined in detail, showing that while the level of the far-UV extinction differs greatly throughout the region, the shape of the 2175 A bump does not. The different curves form a family which can be parametrized by the strength of the bump per E(B-V). This suggests that some single physical process dominates the modification of the grains in the region. Evidence is presented which indicates that this process is related to the evolution of the grains once they emerge from the Cep OB3 molecular cloud. The practicality of using the strength of the bump per E(B-V) for dereddening stars in a region where the form of the UV extinction differs from place to place is demonstrated.

Massa, D.↗

Degradation studies of SMRM Teflon

A working group was organized to study materials and components of the Solar Max Satellite (SMS) that was returned by the STS 41C. These materials were exposed in space for 50 months and represent the only real time long term exposure data available to date. In the molecular modeling of material and energetic oxygen atom interaction, it is pointed out that the importance of developing correlation between accelerated exposure data from STS and some real time data. In particular, it was predicted that Teflon which showed no detectable degradation on various STS flights may be susceptible to atomic oxygen degradation under real time conditions. Initial inspection of returned SMS samples showed that Teflon suffered visual damage such as cracking and yellowing. The results of examination of these samples are given.

Liang, R. H.↗

Quantitative infrared spectroscopy of minor constituents of the Earth's atmosphere

We obtain quantitative laboratory spectroscopic measurements of molecular constituents which are of importance in understanding the health of the Earth's atmosphere, and, in particular, emphasize those species which are important for understanding stratospheric kinetics or are used for long term monitoring of the stratosphere. Our measurements provide: (1) line and band intensity values which are needed to establish limits of detectability for as yet unobserved species and to quantify the abundance of those species which are observed; (2) line-positions, -half widths and pressure induced shifts are all needed for remote sensing techniques, and (3) data on the above basic molecular parameters at temperatures and pressures appropriate for the real atmosphere.

Chackerian, C., Jr.↗

The formation of massive stars along the W5 ionization front

Far-infrared, near-infrared, millimeter-wave, and optical data are presented for two of the large molecular clouds which border the W5 (IC 1848) giant H II region. These data are combined to identify three B0-B2 zero-age main-sequence stars which are forming in these clouds and to study the density distribution and kinematic structure of their surrounding molecular gas. This investigation into the environment in which massive stars have formed in these clouds, when considered alongside similar studies of the W5A/S201 molecular cloud, leads to the conclusion that the expanding W5 H II region has played an important role in initiating the formation of these massive stars.

Wilking, B. A.↗

Effects of Simulated Microgravity and LINC-Complex on Chromosome 8 of Human Mammary Cells

Previously, human breast epithelial cells were studied under simulated microgravity to determine the role of the LINC-complex in maintaining nuclear morphology and gene expression. Data from that study was used in this project to understand how the LINC-complex influences gene expression at chromosome 8 under simulated microgravity. Differentially expressed genes found in clusters typically indicate a molecular relationship amongst them. Visual and data analyses (GO, pathways) identified 51 genes within clusters on chromosome 8 across various simulated microgravity conditions that did not share any molecular relationship. Additional results also determined that cells with a disrupted LINC-complex experienced more differential gene expression than the control, and that extended periods of simulated microgravity exacerbated differential gene expression in chromosome 8 of LINC-disrupted cells. These results suggest that the stressful simulated microgravity environment coupled with disrupted biological processes, such as in the case of the LINC-complex, can increase differential gene expression in chromosomes. Future studies where additional analyses are performed to further analyze gene expression of clusters under simulated microgravity could potentially elucidate the molecular relationship amongst affected genes.

Simulated microgravity↗

Molecular Hydrogen in the Quiescent Disk of SW UMA

The data have been acquired and re-reduced by Alex Lobel. We do not detect the molecular hydrogen transitions expected from models of a molecular disk illuminated by Ly alpha photons. We are currently working on an interpretation of the O VI emission lines to determine whether they arise in the disk or the boundary layer. The upper limit on continuum flux will provide an important constraint on models of white dwarf heating in cataclysmic variables.

Raymond, John C.↗

GeneLab Phase 2: Integrated Search Data Federation of Space Biology Experimental Data

The GeneLab project is a science initiative to maximize the scientific return of omics data collected from spaceflight and from ground simulations of microgravity and radiation experiments, supported by a data system for a public bioinformatics repository and collaborative analysis tools for these data. The mission of GeneLab is to maximize the utilization of the valuable biological research resources aboard the ISS by collecting genomic, transcriptomic, proteomic and metabolomic (so-called omics) data to enable the exploration of the molecular network responses of terrestrial biology to space environments using a systems biology approach. All GeneLab data are made available to a worldwide network of researchers through its open-access data system. GeneLab is currently being developed by NASA to support Open Science biomedical research in order to enable the human exploration of space and improve life on earth. Open access to Phase 1 of the GeneLab Data Systems (GLDS) was implemented in April 2015. Download volumes have grown steadily, mirroring the growth in curated space biology research data sets (61 as of June 2016), now exceeding 10 TB/month, with over 10,000 file downloads since the start of Phase 1. For the period April 2015 to May 2016, most frequently downloaded were data from studies of Mus musculus (39) followed closely by Arabidopsis thaliana (30), with the remaining downloads roughly equally split across 12 other organisms (each 10 of total downloads). GLDS Phase 2 is focusing on interoperability, supporting data federation, including integrated search capabilities, of GLDS-housed data sets with external data sources, such as gene expression data from NIHNCBIs Gene Expression Omnibus (GEO), proteomic data from EBIs PRIDE system, and metagenomic data from Argonne National Laboratory's MG-RAST. GEO and MG-RAST employ specifications for investigation metadata that are different from those used by the GLDS and PRIDE (e.g., ISA-Tab). The GLDS Phase 2 system will implement a Google-like, full-text search engine using a Service-Oriented Architecture by utilizing publicly available RESTful web services Application Programming Interfaces (e.g., GEO Entrez Programming Utilities) and a Common Metadata Model (CMM) in order to accommodate the different metadata formats between the heterogeneous bioinformatics databases. GLDS Phase 2 completion with fully implemented capabilities will be made available to the general public in September 2017.

Space Biology↗

The galactic distribution (in radius and Z) of interstellar molecular hydrogen

Observations of the galactic longitude and latitude distributions of gamma = 2.6 mm CO emission are presented. Analysis of this spectral line data yields the large scale distribution of molecular clouds in the galactic disk and their z-distribution out of the disk. Strong maxima in the number of molecular clouds occur in the galactic nucleus and at galactic radii 4-8 kpc. The peak at 4-8 kpc correlates well with a region of enhanced 100 Mev gamma ray emissivity. This correlation strongly supports the conclusion that the gamma rays are produced as a result of cosmic ray interactions in molecular H2 clouds rather than HI. One important implication of this is that the interstellar magnetic field lines to which cosmic rays are confined must therefore not be excluded from these dense clouds. The width of the cloud layer perpendicular to galactic plane between half density points is 105 + or - 15 pc near the 5.5 kpc peak. The total mass of molecular gas in the interior of the galaxy exceeds that of atomic hydrogen.

Scoville, N. Z.↗

Effect of molecular weight on polyphenylquinoxaline properties

A series of polyphenyl quinoxalines with different molecular weight and end-groups were prepared by varying monomer stoichiometry. Thus, 4,4'-oxydibenzil and 3,3'-diaminobenzidine were reacted in a 50/50 mixture of m-cresol and xylenes. Reaction concentration, temperature, and stir rate were studied and found to have an effect on polymer properties. Number and weight average molecular weights were determined and correlated well with viscosity data. Glass transition temperatures were determined and found to vary with molecular weight and end-groups. Mechanical properties of films from polymers with different molecular weights were essentially identical at room temperature but showed significant differences at 232 C. Diamine terminated polymers were found to be much less thermooxidatively stable than benzil terminated polymers when aged at 316 C even though dynamic thermogravimetric analysis revealed only slight differences. Lower molecular weight polymers exhibited better processability than higher molecular weight polymers.

Jensen, Brian J.↗

Dissociation energies of some high temperature molecules containing aluminum

The Knudsen cell mass spectrometric method has been used to investigate the gaseous molecules Al2, AlSi,AlSiO, AlC2, Al2C2, and AlAuC2. Special attention was given to the experimental considerations and techniques needed to identify and to measure ion intensities for very low abundance molecular species. Second- and third-law procedures were used to obtain reaction enthalpies for pressure calibration independent and isomolecular exchange reactions. Dissociation energies for the molecules were derived from the measured ion intensities, free-energy functions obtained from estimated molecular constants, and auxiliary thermodynamic data. The bonding and stability of these aluminum containing molecules are compared with other similar species.

Stearns, C. A.↗

The imaging photopolarimeter experiment on Pioneer 11

For 2 weeks continuous imaging, photometry, and polarimetry observations were made of Jupiter and the Galilean satellites in red and blue light from Pioneer 11. Measurements of Jupiter's north and south polar regions were possible because the spacecraft trajectory was highly inclined to the planet's equatorial plane. One of the highest resolution images obtained is presented here along with a comparison of a sample of our photometric and polarimetric data with a simple model. The data seem consistent with increased molecular scattering at high latitudes.

Baker, A. L.↗

Comments on the origins of the diffuse interstellar bands

Most work in recent years on the unidentified diffuse interstellar bands has been concentrated on the hypothesis that they are produced by some process in solid grains. We review that hypothesis and the arguments which support it, and find that diffuse band formation by certain classes of molecules should not yet be ruled out. Since several relevant observations have been made in the last four years, the observational data on the bands are reviewed. It would appear that these data are as consistent with molecular origins for the bands as with grain origins. Types of molecular transitions which give rise to 'diffuse' bands are described. These transitions can occur in relatively simple molecules composed of cosmically abundant elements and can produce broad, unresolvable profiles without destroying the molecule. New observations are suggested which could produce decisive evidence with which to determine whether the diffuse bands originate in grains, molecules, or both.

Smith, W. H.↗

Measurements of the thermal plasma environment of the Space Shuttle

The paper presents some initial results on measurements of the thermal plasma environment obtained by a spherical retarding potential analyzer and a Langmuir probe flown on (STS-3) as part of the NASA Office of Space Science-1 payload in March 1982. One of the major effects observed is a higher degree of turbulence in the ambient plasma compared to what is observed from similar instruments flown on unmanned satellites. In addition we see the temperature of the thermal electrons elevated to values of 4000-5000 K. Associated with elevated electron temperatures are regions of enhanced plasma density resulting from the appearance of high densities of molecular ions. The thermal plasma data also show clear effects of an induced V x B.L potential at the location of the probes which matches that produced by an L vector linking the probes to the engine nozzles; thereby establishing the prime return current location on the Orbiter. The final observations discussed are the pronounced and complex wake effects resulting both from the main structure of the Orbiter and from the complex shapes of appendages attached to the Orbiter.

Raitt, W. J.↗

Star Formation in Globules

The low mass star formation process was studied by application of submillimeter and supplementing far-infrared continuum observations by molecular line observations to the discovery and analysis of compact cores in molecular clouds with low luminosity. These dense regions are likely to be the sites where a cloud has recently collapsed or is still collapsing to form a star. Observations show that nonisotropic effects must play an important role in star formation. Four low luminosity sources embedded in the clouds L1551, B335, L1455 and L723 are presented. All these sources exhibit collimated bipolar molecular outflows of varying strengths. Data on the outflows are combined with determinations of mass, luminosity and temperature of the dust in the dense cores surrounding these embedded energy sources, to infer the evolutionary stage of the object. The possible role of the cores in channeling or generating the outflow is examined.

Davidson, J. A.↗

Induced orientational behavior of liquid crystal polymer by carbon fibers

Experimental results are presented that show that the structure of carbon fibers induces molecular orientation of liquid crystal polymers. X-ray diffraction data are used to demonstrate final collinearity of the polymer molecular axis and carbon fiber axis independent of fabrication approaches or prefabrication orientation of the polymer relative to the carbon fiber direction. The final degree of polymer molecular orientation approximately equals the degree of carbon basal plane orientation within the carbon fiber.

Chung, T. S.↗

Composition of faint comets

The study uses an emission line, differential imaging camera built by the Science Operations Branch. This instrument allows photometric data to be obtained over a large area of a comet in a large number of resolution elements. The detector is a 100x100 Reticon array which with interchangeable optics can give resolutions from 2" to 30" over a field of 1' to 15'. The camera through its controlling computer can simultaneously take images in on-line and continuum filters and through computer subtraction and calibration present a photometric image of the comet produced by only the emission of the molecule under study. Initial work has shown two significant problems. First the auxiliary equipment of the telescope has not allowed the unambiguous location of faint comets so that systematic observations could be made, and secondly initial data has not shown much molecular emission from the faint comets which were located. Work last year on a software and hardware display system and this year on additional guide motors on the 36-inch telescope has allowed the differential camera to act as its own finder and guide scope. Comet IRAS was observed in C2 and CO+, as well as an occultation by the comet of SAO029103. The perodic comet Giacobini-Zinner was also observed in C2.

Brown, L. W.↗