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NASA NTRS2007

Toxicity and Radioprotective Effects of DF-1 and Carbon Nanotubes in Human Lung and Liver Cell Lines

The DF-1 compound, a sixty carbon fullerene derivative, has been shown to have antioxidant effects and is thought to possibly help mediate the effects of radiation on cells. While this is potentially useful, it is important to first understand the effect that the DF-1 has on the cells and the growth rate of the cells to determine if the material itself has any innate toxicity. A growth curve was established for both HF-19 cells, human fibroblasts, and HepG2 cells, liver tissue cells in the presence of two different concentrations of DF-1 and for untreated controls. The cells were plated in triplicate in 60mm dishes and were lifted and counted with a hemocytometer daily for one week. The growth curve data for the HF-19 cells show that while the low concentration of DF-1 had no apparent effect on the growth rate, the high concentration of DF-1 appeared to severely inhibit the growth of the HF-19 cells. The growth curve data for the HepG2 cells shows that the DF-1 compound had no significant effect on the rate at which the cells grew. A second growth curve study was performed plain carbon nanotubes, but with only 24 hour exposure to a high and low concentration of material. The carbon nanotubes are another carbon compound similar to DF-1, but in the shape of a tube, rather than a ball. We hypothesize that nanotubes may also mediate the effect of radiation on cells. This time, nanotubes did not showed any significant effect on the growth rate HF-19 or HepG2 cells. A third growth curve study is underway to further determine the effect of DF-1, nanotubes, and a derivatized nanotube (BHT-nanotubes). This derivatized nanotube has been modified with a compound that is known to be very effective at neutralizing free radicals. We expect that the high concentration of DF-1 and possibly the nanotubes and BHT-nanotubes may inhibit the growth of the HF-19 cells while the low concentration will resemble the growth of the control. We also hypothesize that there will be no significant effect on the growth of the HepG2 cells by the nanotubes, and BHT-nanotubes. In order to examine the usefulness of the DF-1, nanotubes, and BHT-nanotubes in mediating the effects of radiation a clonogenic assay is being performed. The HF-19 cells were plated in different concentrations of the various compounds and exposed to varying amounts of radiation. The cells are being allowed to grow in a small enough concentration so that the ability of each cell to divide can be seen by the development of cell clusters. By comparing the irradiated control to the un-irradiated control the effects of radiation alone can be seen. By comparing the compound treated irradiated cells to the irradiated control the usefulness of each compound can be seen. It is thought that Amifostine, the positive control, will have more regularly dividing cells then the irradiated control, as will DF-1 and hopefully both nanotube materials as well.

Burgoyne, Madeline↗

NASA NTRS1993

Nucleation of the diamond phase in aluminium-solid solutions

Precipitation was studied from fcc solid solutions with silicon, germanium, copper and magnesium. Of all these elements only silicon and germanium form diamond cubic (DC) precipitates in fcc Al. Nucleation of the DC structure is enhanced if both types of atom are dissolved in the fcc lattice. This is interpreted as due to atomic size effects in the prenucleation stage. There are two modes of interference of fourth elements with nucleation of the DC phase in Al + Si, Ge. The formation of the DC phase is hardly affected if the atoms (for example, copper) are rejected from the (Si, Ge)-rich clusters. If additional types of atom are attracted by silicon and/or germanium, DC nuclei are replaced by intermetallic compounds (for example Mg2Si).

Hornbogen, E.↗

NASA NTRS1982

The outer satellites of Jupiter

Photometry and spectrophotometry of the Jovian outer satellites are used to throw light on the problem of their formation. The main plausible mechanisms for the formation of these satellites are discussd, including capture and breakup in the proto-Jovian nebula, collision within Jupiter's gravitational sphere of influence, and capture through the Jovian Lagrangian points after dissipation of the proto-Jovian nebula. UBV, VRI, and JHK color diagrams for various asteroids are used to show their similarity to the outer Jovian satellites. The evidence suggests that at least two outer Jovian satellites are comparable to C-type asteroids, and that two others are more nearly comparable to RD-type bodies. The apparent C-type satellites are both in the prograde cluster and the apparent RD-types are in the retrograde cluster. The Gradie and Veverka (1980) hypothesis that the reflectances and albedo characteristics of RD bodies may be due to aromatic kerogenlike compounds is discussed.

Cruikshank, D. P.↗

NASA NTRS2018

Average Versus High Surface Ozone Levels over the Continental USA: Model Bias, Background Influences, and Interannual Variability

US background ozone (O3) includes O3 produced from anthropogenic O3 precursors emitted outside of the USA, from global methane, and from any natural sources. Using a suite of sensitivity simulations in the GEOS-Chem global chemistry transport model, we estimate the influence from individual background sources versus US anthropogenic sources on total surface O3 over 10 continental US regions from 2004 to 2012. Evaluation with observations reveals model biases of +0-19ppb in seasonal mean maximum daily 8h average (MDA8) O3, highest in summer over the eastern USA. Simulated high-O3 events cluster too late in the season. We link these model biases to excessive regional O3 production (e.g., US anthropogenic, biogenic volatile organic compounds (BVOCs), and soil NOx, emissions), or coincident missing sinks. On the 10 highest observed O3 days during summer (O3_top10obs_JJA), US anthropogenic emissions enhance O3 by 5-11ppb and by less than 2ppb in the eastern versus western USA. The O3 enhancement from BVOC emissions during summer is 1-7 ppb higher on O3_top10obs_JJA days than on average days, while intercontinental pollution is up to 2ppb higher on average versus on O3_top10obs_JJA days. During the summers of 2004-2012, monthly regional mean US background O3 MDA8 levels vary by up to 15ppb from year to year. Observed and simulated summertime total surface O3 levels on O3_top10obs_JJA days decline by 3ppb (averaged over all regions) from 2004-2006 to 2010-2012, reflecting rising US background (+2ppb) and declining US anthropogenic O3 emissions (6ppb) in the model. The model attributes interannual variability in US background O3 on O3_top10obs days to natural sources, not international pollution transport. We find that a 3-year averaging period is not long enough to eliminate interannual variability in background O3 on the highest observed O3 days.

Guo, Jean J.↗

NASA NTRS2005

The Effect of Approximating Some Molecular Integrals in Coupled-Cluster Calculations: Fundamental Frequencies and Rovibrational Spectroscopic Constants of Cyclopropenylidene

The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), has been used, in conjunction with approximate integral techniques, to compute highly accurate rovibrational spectroscopic constants of cyclopropenylidene, C3H2. The approximate integral technique was proposed in 1994 by Rendell and Lee in order to avoid disk storage and input/output bottlenecks, and today it will also significantly aid in the development of algorithms for distributed memory, massively parallel computer architectures. It is shown in this study that use of approximate integrals does not impact the accuracy of CCSD(T) calculations. In addition, the most accurate spectroscopic data yet for C3H2 is presented based on a CCSD(T)/cc-pVQZ quartic force field that is modified to include the effects of core-valence electron correlation. Cyclopropenylidene is of great astronomical and astrobiological interest because it is the smallest aromatic ringed compound to be positively identified in the interstellar medium, and is thus involved in the prebiotic processing of carbon and hydrogen. The singles and doubles coupled-cluster method that includes a perturbational estimate of

Lee, Timothy J.↗

NASA NTRS2003

Nanocrystalline Chalcopyrite Materials (CuInS2 and CuInSe2) via Low-Temperature Pyrolysis of Molecular Single-Source Precursors

Nanometer sized particles of the chalcopyrite compounds CuInS2 and CuInSe2 were synthesized by thermal decomposition of molecular single-source precursors (PPh3)2CuIn(SEt)4 and (PPh3)2CuIn(SePh)4, respectively, in the non-coordinating solvent dioctyl phthalate at temperatures between 200 and 300 C. The nanoparticles range in size from 3 - 30 nm and are aggregated to form roughly spherical clusters of about 500 nm in diameter. X-ray diffraction of the nanoparticle powders shows greatly broadened lines indicative of very small particle sizes, which is confirmed by TEM. Peaks present in the XRD can be indexed to reference patterns for the respective chalcopyrite compounds. Optical spectroscopy and elemental analysis by energy dispersive spectroscopy support the identification of the nanoparticles as chalcopyrites.

Castro, Stephanie L.↗

NASA NTRS1988

Experiments on the formation, properties and processing of cosmic dust

The results from various experiments on the formation, properties, and processing of potential silicate components of cosmic dust are reviewed. Consideration is given to the role of evaporation and condensation in grain formation, nucleation experiments using volatile compounds and refractory species, and efforts to produce particles that might represent cosmic grains. Other studies include particle scattering experiments, studies on the growth of clusters, the sputtering process, the impact of temperature on sputtering yield and optical properties, and experimental and theoretical studies of the structure of particulate aggregates.

Donn, B. D.↗

NASA NTRS1990

Compound-specific isotopic analyses: a novel tool for reconstruction of ancient biogeochemical processes

Patterns of isotopic fractionation in biogeochemical processes are reviewed and it is suggested that isotopic fractionations will be small when substrates are large. If so, isotopic compositions of biomarkers will reflect those of their biosynthetic precursors. This prediction is tested by consideration of results of analyses of geoporphyrins and geolipids from the Greenhorn Formation (Cretaceous, Western Interior Seaway of North America) and the Messel Shale (Eocene, lacustrine, southern Germany). It is shown (i) that isotopic compositions of porphyrins that are related to a common source, but which have been altered structurally, cluster tightly and (ii) that isotopic differences between geolipids and porphyrins related to a common source are equal to those observed in modern biosynthetic products. Both of these observations are consistent with preservation of biologically controlled isotopic compositions during diagenesis. Isotopic compositions of individual compounds can thus be interpreted in terms of biogeochemical processes in ancient depositional environments. In the Cretaceous samples, isotopic compositions of n-alkanes are covariant with those of total organic carbon, while delta values for pristane and phytane are covariant with those of porphyrins. In this unit representing an open marine environment, the preserved acyclic polyisoprenoids apparently derive mainly from primary material, while the extractable, n-alkanes derive mainly from lower levels of the food chain. In the Messel Shale, isotopic compositions of individual biomarkers range from -20.9 to -73.4% vs PDB. Isotopic compositions of specific compounds can be interpreted in terms of origin from methylotrophic, chemautotrophic, and chemolithotrophic microorganisms as well as from primary producers that lived in the water column and sediments of this ancient lake.

Non-NASA Center↗

NASA NTRS1976

The mesosphere

The mesosphere is an atmospheric region characterized by a negative gradient of solar energy absorption and temperature. Although the distribution of most minor constituents is dominated by photochemistry, vertical transport does have a pronounced effect on many of them. The basic dynamic principles are discussed along with their application to the important mesospheric motions: acoustic-gravity waves, tides, planetary-scale waves, and eddy motions. Oxides of nitrogen and hydrogen are also examined which strongly influence the balance of odd oxygen (O and O3). Brief discussions of the chemistry of carbon compounds and of excited species are also included. The chemistry of ionic species in the mesosphere is very important because it strongly influences the propagation and absorption of radio waves. Because of ion clustering and negative-ion formation, such chemistry is extremely complex. The current state of knowledge is discussed in some detail. The principles involved in constructing models for predicting the distribution of minor constituents, both neutral and ionic, are presented.

Poppoff, I. G.↗

NASA NTRS1996

An Experimental Study of Atmospheric Homogeneous Nucleation: Cluster Growth and Gas-Particle Reactions of H2SO4

The work proposed on this project included both field and laboratory studies. The laboratory studies were to consist of measurements of H2SO4 uptake and evaporation from aerosols of varying chemical composition, while the field component would include measurements of H2SO4 and other compounds which would be conducted as part of a large field campaign. By chance, the opportunity to conduct such an H2SO4/aerosol/ultrafine particle study in conjunction with an OH intercomparison/photochemistry study became available very early in this project (September 1993). This study was conducted at Caribou, Colorado in conjunction with several other groups from NCAR, NOAA and a number of universities. Our group measured OH, H2SO4, SO2, and H20, while Dr. McMurfy's group measured ultrafine particles, and total particle number and size distribution. In addition measurements of HO2/RO2, O3, NO, NO2, NO(y) CO, hydrocarbons, CH2O, and other chemical compounds and meteorological parameters were performed by the other participants and a new laser oblation/mass spectrometry technique was also employed by the NOAA Aeronomy Laboratory to study aerosol composition. The study of aerosol production and growth in conjunction with photochemical measurements is highly advantageous because particle growth precursors such as H2SO4.or MSA are formed by OH initiated sulfur oxidation. The large number of hydrocarbon measurements included in this study were also important in understanding particle growth.

Eisele, F. L.↗

NASA NTRS1994

Characterization of silicon-carbon clusters by infrared laser spectroscopy: the nu 3(sigma u) band of linear Si2C3

The nu 3(sigma u) fundamental vibration of 1 sigma g+ Si2C3 has been observed using a laser vaporization-supersonic cluster beam-diode laser spectrometer. Forty rovibrational transitions were measured in the range of 1965.8 to 1970.9 cm-1 with a rotational temperature of 10-15 K. A least-squares fit of these transitions yielded the following molecular constants: nu 3(sigma u)=1968.188 31(18) cm-1, B"=0.031 575 1(60) cm-1, and B'=0.031 437 4(57) cm-1. These results are in excellent agreement with recent Fourier transform infrared (FTIR) measurements of Si2C3 trapped in a solid Ar matrix [J. Chem. Phys. 100, 181(1994)] and with ab initio calculations [J. Chem. Phys. 100, 175 (1994)] which suggest cumulenic-like bonding for Si2C3, analogous to the isovalent C5 carbon cluster.

Non-NASA Center↗

NASA NTRS2018

Fire Induced Rock Spalls as Long-Term Traps for Ash

Severe fires accelerate rock weathering by spalling and exfoliation, creating abundant peels, flakes or spalls. In the following years, these spalls serve as physical traps which accommodate fine particles of dust, ash, organic matter, etc. We searched for traces of ash trapped under the spalls, after four major fires: 1989, 2005, 2010 and 2015 in Israel. Samples were collected beneath the spalls that formed on the rock outcrops, and in the immediate vicinity above and below them. Three laboratory analyses were performed: pH, EC and color. Five mineral/organic compounds were measured across the Mid-Infrared (MIR) spectral region at diffuse reflectance infrared Fourier transform mode: Hydroxylapatite (HAp), charcoal, organic carbon, montmorillonite and kaolinite. Several statistical analyses were performed: MANOVA, PCA and silhouette analysis on K-means clustering. The results show evidence of ash trapped under the spalls formed during the 2005 and 2010 fires, 6 to 11 years after the fires. Charcoal presence is evident, as well as increased amounts of HAp and organic carbon. In the exposed soil above or below the burned rock outcrop, these values are lower. Negligible amounts of ash were measured 27 years after the fire. In the 2015 burned outcrop, large amounts of charcoal were found above and below the outcrop, but not under the spalls. It seems that on the carbonate slopes of Israel and under Mediterranean climate, the time required for spalls to begin functioning as traps is longer than one rainy season, while ash traces are preserved in these traps for a period of two-three decades.

ash↗

NASA NTRSDate not supplied

Ramdb: The NASA Raman Spectral Database (version 1.00).

Given that, in most instances, minimal sample preparation is required and due to its contactless instrument design, Raman spectroscopy is one of the most versatile vibrational spectroscopic techniques for the chemical analysis of environmental and biological specimens. The diversity of applications of Raman spectroscopy ranges anywhere from art [1] to planetary science missions [2]. The advancement in the use of Raman spectroscopy in Solar System missions, notably in post-mission sample return analysis, requires a spectral library holding the broad range of specimens that could be found in Solar System sources. For this purpose, we have initiated the development of a Raman spectral database (Ramdb) at NASA Ames Research Center. Currently, the database includes experimental and theoretical Raman spectra of PAHs [3, 4], as well as laboratory Raman spectra of amino acids, carbon allotropes, minerals, and analogs relevance to Earth Sciences [5], Exobiology [6], Planetary [7], and Astrochemistry [8] to name just a few examples. Ramdb can be found on the web at www.astrochemistry.org/ramdb, where raw and processed Raman spectra can be downloaded in CSV format. The laboratory Raman spectra are measured using a laser Raman spectrometer (JASCO NRS-5500-532QRI). The Raman instrument is equipped with three excitation lasers, with wavelengths of 405, 532, and 785 nm. A clean silicon substrate is used as the internal standard for wavenumber calibration. Powdered samples were prepared (microscopic >10 um, grounded microscopic < 10 um) on glass slides. Some raw data exhibited a background signal arising as a combination of laser-induced fluorescence from the sample. To correct this background, we developed a Python pipeline that uses open-source Python libraries. Ramdb provides both raw and processed (using Python pipeline) data, which includes tabulated Raman shift transitions and other measurement details. The theoretical Raman band positions of PAHs (pyrene monomers and tetramer clusters) were computed using density functional theory (DFT) with the help of the Gaussian 16 suite of programs [9]. In the near future, Ramdb will serve as a repository of Raman spectral data from Laboratory Astrophysics and Planetary Science experiments involving the irradiation of organic compounds under simulated space and planetary conditions. In addition, online and offline tools will be developed for utilising the database for comparison to the user’s sample.

N Punnakayathil↗

NASA NTRS2012

Offset Compound Gear Inline Two-Speed Drive

A two-speed transmission having an input shaft and an output shaft, the transmission being capable of transitioning between fixed ratios, the high-range ratio being direct 1:1 and the low-range ratio being about 2:1. The transmission is a simple lightweight, yet robust, configuration utilizing only two gear meshes, being comprised of an input gear, a cluster gear, and an output gear. The transmission is controlled with a clutch and a sprag and with the input and output shafts turning in the same direction.

Stevens, Mark A.↗

NASA NTRS2014

Offset Compound Gear Inline Two-Speed Drive

Stevens, Mark A.↗

NASA NTRS2023

Evolutionary Flexibility and Rigidity in the Bacterial Methylerythritol Phosphate (Mep) Pathway

Terpenoids are a diverse class of compounds with wide-ranging uses including as industrial solvents, pharmaceuticals, and fragrances. Efforts to produce terpenoids sustainably by engineering microbes for fermentation are ongoing, but industrial production still largely relies on nonrenewable sources. The methylerythritol phosphate (MEP) pathway generates terpenoid precursor molecules and includes the enzyme Dxs and two iron–sulfur cluster enzymes: IspG and IspH. IspG and IspH are rate limiting-enzymes of the MEP pathway but are challenging for metabolic engineering because they require iron–sulfur cluster biogenesis and an ongoing supply of reducing equivalents to function. Therefore, identifying novel alternatives to IspG and IspH has been an on-going effort to aid in metabolic engineering of terpenoid biosynthesis. We report here an analysis of the evolutionary diversity of terpenoid biosynthesis strategies as a resource for exploration of alternative terpenoid biosynthesis pathways. Using comparative genomics, we surveyed a database of 4,400 diverse bacterial species and found that some may have evolved alternatives to the first enzyme in the pathway, Dxs making it evolutionarily flexible. In contrast, we found that IspG and IspH are evolutionarily rigid because we could not identify any species that appear to have enzymatic routes that circumvent these enzymes. The ever-growing repository of sequenced bacterial genomes has great potential to provide metabolic engineers with alternative metabolic pathway solutions. With the current state of knowledge, we found that enzymes IspG and IspH are evolutionarily indispensable which informs both metabolic engineering efforts and our understanding of the evolution of terpenoid biosynthesis pathways.

Bailey Marshall↗

NASA NTRS1982

Detection of trace quantities of dimethylacetamide during the curing process of a polyimide film

An experimental study of positive ion clustering of dimethylacetamide (DMAC) with water molecules using high pressure mass spectrometry techniques is reported. The possibilities of using these techniques to determine the concentration levels of DMAC evolved from a polyimide film during the curing process, are examined. The test sample of gas contained DMAC of the order of a few micrograms, water, nitrogen, oxygen, and other compounds that might evolve during the curing cycle of a polyimide film. It is found that PPM concentrations such as DMAC lost from polyimide during curing stages can be detected with this technique. Improvement of the detection of lower concentrations (50 picograms) can be made by using electron multipliers with a gain in the 10 to the 8th power range and pulse counting techniques.

Smith, A. C.↗

NASA NTRS1986

Biosynthetic Porphyrins and the Origin of Photosynthesis

Since the prebiotic atmosphere was anaerobic, if not reducing, a useful function of primordial photosynthesis would have been to photooxidize reduced substrates such as Fe(+2), S(-2) or reduced organic molecules and to emit hydrogen. Experiments have shown that the early biogenic pigments uroporphyrin and coproporphyrin do photooxidize organic compounds and emit hydrogen in the presence of a platinum catalyst. These experiments were carried out in dilute aqueous solution near neutral pH under anaerobic atmosphere, and quantum yields near 10-2 were obtained. Thus relevant prebiotic conditions were maintained. Rather then to further optimize conditions, attempts were made to replace the platinum catalyst by a more prebiotically suitable catalyst. Trials with an Fe4S4(SR)4 cluster, in analogy to the present hydrogenase and nitrogenase, were not successful. However, experiments using cobalt complexes to catalyze the formation of hydrogen are promising. In analogy with biological photosynthetic systems which group pigments, electron transfer molecules and enzymes in clusters for efficiency, it was found that binding the biogenic porphyrins to the polyvinyl alcohol used to support the platinum catalyst did increase the quantum yield of the reaction. It was also found that ultraviolet light can serve to photo-oxidize porphyrinogens to porphyrins under anaerobic conditions. Thus the formation of the colorless porphyriogens by the extraordinarily simple biosynthetic pathway would not be a problem because of the prevalence of UV light in the prebiotic, anoxic atmosphere.

David Mauzerall↗