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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Bohm's Quantum Potential and the Visualization of Molecular Structure

David Bohm's ontological interpretation of quantum theory can shed light on otherwise counter-intuitive quantum mechanical phenomena including chemical bonding. In the field of quantum chemistry, Richard Bader has shown that the topology of the Laplacian of the electronic charge density characterizes many features of molecular structure and reactivity. Visual and computational examination suggests that the Laplacian of Bader and the quantum potential of Bohm are morphologically equivalent. It appears that Bohmian mechanics and the quantum potential can make chemistry as clear as they makes physics.

Levit, Creon↗
NASA NTRS1991

Virtual reality at work

The utility of virtual reality computer graphics in telepresence applications is not hard to grasp and promises to be great. When the virtual world is entirely synthetic, as opposed to real but remote, the utility is harder to establish. Vehicle simulators for aircraft, vessels, and motor vehicles are proving their worth every day. Entertainment applications such as Disney World's StarTours are technologically elegant, good fun, and economically viable. Nevertheless, some of us have no real desire to spend our lifework serving the entertainment craze of our sick culture; we want to see this exciting technology put to work in medicine and science. The topics covered include the following: testing a force display for scientific visualization -- molecular docking; and testing a head-mounted display for scientific and medical visualization.

Brooks, Frederick P., Jr.↗
NASA NTRS1989

A 3D visualization system for molecular structures

The properties of molecules derive in part from their structures. Because of the importance of understanding molecular structures various methodologies, ranging from first principles to empirical technique, were developed for computing the structure of molecules. For large molecules such as polymer model compounds, the structural information is difficult to comprehend by examining tabulated data. Therefore, a molecular graphics display system, called MOLDS, was developed to help interpret the data. MOLDS is a menu-driven program developed to run on the LADC SNS computer systems. This program can read a data file generated by the modeling programs or data can be entered using the keyboard. MOLDS has the following capabilities: draws the 3-D representation of a molecule using stick, ball and ball, or space filled model from Cartesian coordinates, draws different perspective views of the molecule; rotates the molecule on the X, Y, Z axis or about some arbitrary line in space, zooms in on a small area of the molecule in order to obtain a better view of a specific region; and makes hard copy representation of molecules on a graphic printer. In addition, MOLDS can be easily updated and readily adapted to run on most computer systems.

Green, Terry J.↗
NASA NTRS1989

Far-infrared emission in the Rho Ophiuchi region - A comparison with molecular gas emission and visual extinction

The dust characteristics of a 40 arcmin x 40 arcmin section of the Rho Ophiuchi molecular clouds complex revealed by the IRAS satellite are compared with both molecular line and deep star count data for the region. The data reveal the cloud to be clearly visible at 12 and 25 microns, as well as at 60 and 100 microns. Modeling the infrared emission from the cloud as being due to two populations of dust grains, the short-wavelength emission is found not to reflect the internal structure of the molecular cloud. The 60 micron opacity determined using a single grain emission model correlates reasonably well with (C-13)O column density and visual extinction up to roughly 5 mag. The cloud edges appear to be heated by the interstellar radiation field. The far-infrared luminosity to mass ratio for the region is determined to be 0.9 solar luminosity/solar mass, a value much smaller than the average ratio for the inner Galaxy.

Jarrett, T. H.↗
NASA NTRS1989

The abundances of atomic carbon and carbon monoxide compared with visual extinction in the Ophiuchus molecular cloud complex

Emission from the 492 GHz lines of C I have been observed toward six positions in the Ophiuchus molecular cloud complex for which accurate visual extinctions are available. The column density of C I increases with A(V) to greater than 2 x 10 to the 17th/sq cm at 100 mag, the column-averaged fractional abundance reaches a peak of about 2.2 x 10 to the -5th for A(V) in the range 4-11 mag and the column-averaged abundance ratio of C I to CO decreases with A(V) from about 1 at 2 mag to greater that about 0.03 at 100 mag. These results imply that, while C I is not the primary reservoir of gaseous carbon even at cloud edges, its fractional abundance remains high for at least 10 mag into the cloud and may be significant at even greater depths.

Frerking, Margaret A.↗
NASA NTRS1982

The display of molecular models with the Ames Interactive Modeling System (AIMS)

A visualization of molecular models can lead to a clearer understanding of the models. Sophisticated graphics devices supported by minicomputers make it possible for the chemist to interact with the display of a very large model, altering its structure. In addition to user interaction, the need arises also for other ways of displaying information. These include the production of viewgraphs, film presentation, as well as publication quality prints of various models. To satisfy these needs, the display capability of the Ames Interactive Modeling System (AIMS) has been enhanced to provide a wide range of graphics and plotting capabilities. Attention is given to an overview of the AIMS system, graphics hardware used by the AIMS display subsystem, a comparison of graphics hardware, the representation of molecular models, graphics software used by the AIMS display subsystem, the display of a model obtained from data stored in molecule data base, a graphics feature for obtaining single frame permanent copy displays, and a feature for producing multiple frame displays.

Egan, J. T.↗
NASA NTRS2018

Blind to Chemistry: Molecular Contaminant Films We Could Be Missing During Visual Inspections and the Potential Impact to System Performance

Throughout the assembly, integration and test process, molecular contamination levels of space mission hardware are monitored to meet system performance requirements. Qualitatively, reflective surfaces and witness mirrors are continuously inspected for the visible presence of molecular contaminant films. Quantitatively, periodic reflectance measurements of witness mirrors indicate changes of mirror reflectivity over time due to the accumulation of molecular contaminant films. However, both methods only consider the presence of a contaminant film and not the molecular composition. Additionally, there is a risk that hardware may appear to be “visibly clean” even with a molecular contaminant film present on critical surfaces. To address these issues, experiments were performed to quantify the maximum molecular contaminant film that could be missed in visual inspections on witness mirrors with five different contaminants present. The corresponding changes in mirror reflectivity were modeled using the program STACK to determine the impact to space mission hardware performance. The results of this study not only show the criticality in considering the chemical make-up of molecular contaminant films on system performance, but also the need to recognize and understand the limitations of traditional visual inspection techniques on detecting molecular contaminant films.

Seasly, Elaine↗
NASA NTRS1989

A study of the stellar population in the Lynds 1641 dark cloud - A possible dense cluster associated with IRAS 05338-0624

Sensitive images obtained at 1.6 and 2.2 microns reveal a possible dense cluster of stars associated with IRAS 05338-0624 and located within an optically thick molecular core; the visual extinction suffered by cluster members ranges from 7 to 40 mag. A circular region of diameter 70 arcsec (0.16 pc at a distance of 480 pc) contains 20 stellar objects or semistellar knots. Assuming that the depth of the region is comparable to its projected size leads to an estimated stellar density of 6800/cu pc. The ratio of stellar to molecular material contained within the core must lie between 4 percent and 43 percent. It is likely that this cluster will emerge from its parent core as a bound group.

Strom, Karen M.↗
NASA NTRS1992

Is a pyrene-like molecular ion the cause of the 4,430-angstroms diffuse interstellar absorption band?

The diffuse interstellar bands (DIBs), ubiquitous absorption features in astronomical spectra, have been known since early this century and now number more than a hundred. Ranging from 4,400 angstroms to the near infrared, they differ markedly in depth, width and shape, making the concept of a single carrier unlikely. Whether they are due to gas or grains is not settled, but recent results suggest that the DIB carriers are quite separate from the grains that cause visual extinction. Among molecular candidates the polycyclic aromatic hydrocarbons (PAHs) have been proposed as the possible carriers of some of the DIBs, and we present here laboratory measurements of the optical spectrum of the pyrene cation C16H10+ in neon and argon matrices. The strongest absorption feature falls at 4,435 +/- 5 angstroms in the argon matrix and 4,395 +/- 5 angstroms in the neon matrix, both close to the strong 4,430-angstroms DIB. If this or a related pyrene-like species is responsible for this particular band, it must account for 0.2% of all cosmic carbon. The ion also shows an intense but puzzling broad continuum, extending from the ultraviolet to the visible, similar to what is seen in the naphthalene cation and perhaps therefore a common feature of all PAH cations. This may provide an explanation of how PAHs convert a large fraction of interstellar radiation from ultraviolet and visible wavelengths down to the infrared.

NASA Center ARC↗
NASA NTRS1999

Novel optical methodologies in studying mechanical signal transduction in mammalian cells

For the last 3 decades evidence has been accumulating that some types of mammalian cells respond to their mechanically active environment by altering their morphology, growth rate, and metabolism. The study of such responses is very important in understanding, physiological and pathological conditions ranging from bone formation to atherosclerosis. Obtaining this knowledge has been the goal for an active research area in bioengineering termed cell mechanotransduction. The advancement of optical methodologies used in cell biology research has given the tools to elucidate cellular mechanisms that would otherwise be impossible to visualize. Combined with molecular biology techniques, they give engineers invaluable tools in understanding the chemical pathways involved in mechanotransduction. Herein we briefly review the current knowledge on mechanical signal transduction in mammalian cells, focusing on the application of novel optical techniques in the ongoing research.

NASA Discipline Cell Biology↗
NASA NTRS2005

Laser-Based Flowfield Imaging in a Lean Premixed Prevaporized Sector Combustor

OH and fuel planar laser-induced fluorescence (PLIF) is used qualitatively in this study to observe the flame structure resultant from different fuel injector dome configurations within the 3-cup sector combustor test rig. The fluorescence images are compared with some computational fluid dynamics (CFD) results. Interferences in obtaining OH fluorescence signals due to the emission of other species are assessed. NO PLIF images are presented and compared to gas analysis results. The comparison shows that PLIF NO can be an excellent method for measuring NO in the flame. Additionally, we present flow visualization of the molecular species C2.

Hicks, Yolanda R.↗
NASA NTRS1991

The temperature of large dust grains in molecular clouds

The temperature of the large dust grains is calculated from three molecular clouds ranging in visual extinction from 2.5 to 8 mag, by comparing maps of either extinction derived from star counts or gas column density derived from molecular observations to I(100). Both techniques show the dust temperature declining into clouds. The two techniques do not agree in absolute scale.

Clark, F. O.↗
NASA NTRSDate not supplied

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↗
NASA NTRS1982

The energetics of molecular clouds. V - The S37 molecular cloud

The molecular clouds of S37, which coincides with a region of visual obscuration, is observed at several molecular transition frequencies and at IR wavelengths in the 2-125 micron range. It is found that the temperature and the column density peak near the reflection nebulae vdB 118 and 119, with line splitting and possible self-absorption being observed near the latter. Although many 2-micron sources are observed in the direction of the cloud, no bright, 10-micron sources are seen, and far-IR emission is found over an extensive region in the cloud. An energetics analysis leads to the prediction of a dust cooling rate consistent with the far-IR observations, which indicate not less than 15,000-35,000 solar luminosities, and more detailed energetics examinations show that the conditions necessary for collision heating of the gas by warm dust exist.

Evans, N. J., II↗
NASA NTRS1982

Thermal- and plasma-induced molecular redistribution on the icy satellites

The molecular transport of condensed gas species across the surfaces of the icy satellites of Jupiter and Saturn is examined with the view of describing, in part, certain gross visual features associated with these bodies. Molecular redistribution induced by thermal sublimation and magnetospheric plasma-ion impact on satellites with negligible atmospheres is calculated by assuming that the molecules follow ballistic trajectories and by statistically selecting initial molecular velocities and points of origin. Erosion/deposition profiles so calculated are compared for a variety of satellite sizes and environments in order to understand the relative importance of sublimation and cold corotating plasma-ion- and fast plasma-ion-induced transport. The erosion/deposition profiles are used to discuss the appearance of a polar frost on Ganymede. A balance of magnetospheric-ion implantation and ion-induced molecular redistribution is used to discuss the observation of embedded SO2 and the darkening of the trailing side on Europa. Ion-induced molecular transport may also limit the deposition of SO2 frost in the polar regions of Io and may be a source of heavy particles in the Jovian and Saturnian magnetospheres.

Sieveka, E. M.↗
NASA NTRS1983

The disappearance of OH from Comet P/Encke

Photoelectric observations of Comet P/Encke during its 1980 apparition are combined with other published data to relate molecular production rates to the visual lightcurve. In addition to a substantial asymmetry about perihelion which is already well known, there are shorter-term variations in specific molecules which have not been duplicated by models. The most dramatic of these fluctuations is a rapid decrease by more than a factor of 3 in the production of OH at 0.75 AU preperihelion.

Ahearn, M. F.↗
NASA NTRS2010

Process to Selectively Distinguish Viable from Non-Viable Bacterial Cells

The combination of ethidium monoazide (EMA) and post-fragmentation, randomly primed DNA amplification technologies will enhance the analytical capability to discern viable from non-viable bacterial cells in spacecraft-related samples. Intercalating agents have been widely used since the inception of molecular biology to stain and visualize nucleic acids. Only recently, intercalating agents such as EMA have been exploited to selectively distinguish viable from dead bacterial cells. Intercalating dyes can only penetrate the membranes of dead cells. Once through the membrane and actually inside the cell, they intercalate DNA and, upon photolysis with visible light, produce stable DNA monoadducts. Once the DNA is crosslinked, it becomes insoluble and unable to be fragmented for post-fragmentation, randomly primed DNA library formation. Viable organisms DNA remains unaffected by the intercalating agents, allowing for amplification via post-fragmentation, randomly primed technologies. This results in the ability to carry out downstream nucleic acid-based analyses on viable microbes to the exclusion of all non-viable cells.

LaDuc, Myron T.↗