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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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17 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Damage to cellular DNA from particulate radiations, the efficacy of its processing and the radiosensitivity of mammalian cells. Emphasis on DNA double strand breaks and chromatin breaks

For several years, it has been evident that cellular radiation biology is in a necessary period of consolidation and transition (Lett 1987, 1990; Lett et al. 1986, 1987). Both changes are moving apace, and have been stimulated by studies with heavy charged particles. From the standpoint of radiation chemistry, there is now a consensus of opinion that the DNA hydration shell must be distinguished from bulk water in the cell nucleus and treated as an integral part of DNA (chromatin) (Lett 1987). Concomitantly, sentiment is strengthening for the abandonment of the classical notions of "direct" and "indirect" action (Fielden and O'Neill 1991; O'Neill 1991; O'Neill et al. 1991; Schulte-Frohlinde and Bothe 1991 and references therein). A layer of water molecules outside, or in the outer edge of, the DNA (chromatin) hydration shell influences cellular radiosensitivity in ways not fully understood. Charge and energy transfer processes facilitated by, or involving, DNA hydration must be considered in rigorous theories of radiation action on cells. The induction and processing of double stand breaks (DSBs) in DNA (chromatin) seem to be the predominant determinants of the radiotoxicity of normally radioresistant mammalian cells, the survival curves of which reflect the patterns of damage induced and the damage present after processing ceases, and can be modelled in formal terms by the use of reaction (enzyme) kinetics. Incongruities such as sublethal damage are neither scientifically sound nor relevant to cellular radiation biology (Calkins 1991; Lett 1990; Lett et al. 1987a). Increases in linear energy transfer (LET infinity) up to 100-200 keV micron-1 cause increases in the extents of neighboring chemical and physical damage in DNA denoted by the general term DSB. Those changes are accompanied by decreasing abilities of cells normally radioresistant to sparsely ionizing radiations to process DSBs in DNA and chromatin and to recover from radiation exposure, so they make significant contributions to the relative biological effectiveness (RBE) of a given radiation.(ABSTRACT TRUNCATED AT 400 WORDS).

Non-NASA Center↗
NASA NTRS1984

Solution influence on biomolecular equilibria - Nucleic acid base associations

Various attempts to construct an understanding of the influence of solution environment on biomolecular equilibria at the molecular level using computer simulation are discussed. First, the application of the formal statistical thermodynamic program for investigating biomolecular equilibria in solution is presented, addressing modeling and conceptual simplications such as perturbative methods, long-range interaction approximations, surface thermodynamics, and hydration shell. Then, Monte Carlo calculations on the associations of nucleic acid bases in both polar and nonpolar solvents such as water and carbon tetrachloride are carried out. The solvent contribution to the enthalpy of base association is positive (destabilizing) in both polar and nonpolar solvents while negative enthalpies for stacked complexes are obtained only when the solute-solute in vacuo energy is added to the total energy. The release upon association of solvent molecules from the first hydration layer around a solute to the bulk is accompanied by an increase in solute-solvent energy and decrease in solvent-solvent energy. The techniques presented are expectd to displace less molecular and more heuristic modeling of biomolecular equilibria in solution.

Pohorille, A.↗
NASA NTRS1992

Deoxyribonucleoprotein structure and radiation injury - Cellular radiosensitivity is determined by LET-infinity-dependent DNA damage in hydrated deoxyribonucleoproteins and the extent of its repair

Until recently, OH radicals formed in bulk nuclear water were believed to be the major causes of DNA damage that results in cell death, especially for sparsely ionizing radiations. That hypothesis has now been challenged, if not refuted. Lethal genomic DNA damage is determined mainly by energy deposition in deoxyribonucleoproteins, and their hydration shells, and charge (energy) transfer processes within those structures.

Lett, J. T.↗
NASA NTRS1992

Ab initio atomic recombination reaction energetics on model heat shield surfaces

Ab initio quantum mechanical calculations on small hydration complexes involving the nitrate anion are reported. The self-consistent field method with accurate basis sets has been applied to compute completely optimized equilibrium geometries, vibrational frequencies, thermochemical parameters, and stable site labilities of complexes involving 1, 2, and 3 waters. The most stable geometries in the first hydration shell involve in-plane waters bridging pairs of nitrate oxygens with two equal and bent hydrogen bonds. A second extremely labile local minimum involves out-of-plane waters with a single hydrogen bond and lies about 2 kcal/mol higher. The potential in the region of the second minimum is extremely flat and qualitatively sensitive to changes in the basis set; it does not correspond to a true equilibrium structure.

Senese, Fredrick↗
NASA NTRS1993

Viewpoint 9--molecular structure of aqueous interfaces

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Review, Tutorial↗
NASA NTRS1985

Structural basis for stabilization of Z-DNA by cobalt hexaammine and magnesium cations

In the equilibrium between B-DNA and Z-DNA in poly(dC-dG), the [Co(NH3)6]3+ ion stabilizes the Z form 4 orders of magnitude more effectively than the Mg2+ ion. The structural basis of this difference is revealed in Z-DNA crystal structures of d(CpGpCpGpCpG) stabilized by either Na+/Mg2+ or Na+/Mg2+ plus [Co(NH3)6]3+. The crystals diffract X-rays to high resolution, and the structures were refined at 1.25 A. The [Co(NH3)6]3+ ion forms five hydrogen bonds onto the surface of Z-DNA, bonding to a guanine O6 and N7 as well as to a phosphate group in the ZII conformation. The Mg2+ ion binds through its hydration shell with up to three hydrogen bonds to guanine N7 and O6. Higher charge, specific fitting of more hydrogen bonds, and a more stable complex all contribute to the great effectiveness of [Co(NH3)6]3+ in stabilizing Z-DNA.

NASA Discipline Exobiology↗
NASA NTRSDate not supplied

J-OCTA Applications to in Space Manufacturing and Nanofluidic Technologies

We consider examples of J-OCTA software application to physics-based analysis of in-space manufacturing technologies. Firstly, we consider an atomistic model of thermal welding at the polymer-polymer interface for applications to 3D manufacturing by following diffusion of polymer chains. We show that each component of the polymer blend has its own characteristic time of diffusion and that both strain–stress and shear viscosity curves agree with experimental data. Next, nonlinear shrinkage of the metal part during manufacturing by bound metal deposition under microgravity, is considered using a multi-scale physics-based approach that spans from atomistic dynamics to full-part shrinkage. At the smallest scale we use atomistic dynamics to simulated sintering of a few Ti6Al4V nanoparticles, study sintering mechanisms and estimate important parameters including grain boundary width and diffusion rates of the atoms at the surface that are used at the other scales of modelling. Finally, we analyse selective ionic conduction through an artificial nanopore in a graphene sheet motivated by applications to desalination and energy harvesting. We build distributions of the number and orientation of water molecules in the ion’s hydration shells providing novel insight into the ion-water-carbon interaction at the nanopore.

molecular dynamics↗
NASA NTRS2004

Formation and Stability of Radiation Products in Europa's Icy Shell

Spectra of Europa reveal a surface dominated by water-ice along with hydrated materials and minor amounts of SO2, CO2, and H2O2. Jovian magnetospheric ions (protons, sulfur, and oxygen) and electrons produce significant chemical modifications of the surface on time scales of a few years at micrometer depths. Our laboratory studies examine the formation and stability of radiation products in H2O-rich ices relevant to Europa. Infrared (IR) spectra of ices before and after irradiation reveal the radiation destruction of molecules and the formation of products at 86 - 132 K. In addition, spectra of ices during warming track thermal evolution due to chemical changes and sublimation processes. IR-identified radiation products in 86 - 132 K irradiated H2O + SO2 ices are the bisulfate ion, HSO4(-), sulfate ion, SO4(2-) and the hydronium ion, H3O(+). Warming results in the formation of a residual spectrum similar to liquid sulfuric acid, H2SO4, for H2O:SO2 ratios of 30:1, whereas hydrated sulfuric acid, H2SO4 4 H2O, forms for ratios of 30:1. Radiation products identified for irradiated H2O + H2S ices at 86 K are H2S2 and SO2. When irradiated at 110 and 132 K, ices with H2O:H2S ratios if either 3:1 or 30:1 show the formation of H2SO4 4 H2O on warming to 175 K. We have also examined the radiation stability of H2SO4. Addition of CO2 to H2O + SO2 ices results in the formation of CO3 at 2046 cm (sup -1) (4.89 m). This is the strongest band from a carbon-containing product in the mid-IR spectral region, and it is also seen when either pure CO2 or H2O + CO2 ice is irradiated. Experiments with CH4 added to H2O + SO2 + CO2 ices addressed the question of methane's use as a marker of methanogens in an irradiated ice environment. New results on the near-IR spectrum of pure H2O2 will be included in this presentation. Interpretations of near-IR water bands, with H2O2 present, will be discussed. Irradiations of H2O2 and H2O + H2O2 mixtures, to examine the possibility of O2 and O3 formation, are currently under investigation and new results will be discussed.

Moore, M. H.↗
NASA NTRS1993

K/T spherules from Haiti and Wyoming: Origin, diagenesis, and similarity to some microtektites

Spherules with relict glass cores in the K/T boundary bed of Haiti allow for a comparison of these bodies with hollow goyazite shells in the K/T boundary claystone of Wyoming and with younger microtektites of the Ivory Coast strewn field. Samples of the Haitian beds from undisturbed sections at Beloc, as determined by Jehanno et al., contain both hollow shells and relict glass cores rimmed by palagonite that has been partially converted to smectite. These palagonite rims developed from hydration zones formed when hot, splash-form droplets of andesitic impact glass were deposited into water. Mutual collisions between these droplets in the ejecta curtain may have formed point-source stresses on their surfaces. Initiation of hydration would be facilitated at these surface stress points and propagated radially into the glass. The inner surface of these merged hemispherical fronts appears mammillary, which is reflected as scalloping in Haitian relict glass cores.

Bohor, B. F.↗
NASA NTRS2018

Water Walls Architecture: Massively Redundant And Highly Reliable Life Support For Long Duration Exploration Missions

The Water Wall concept proposes a system for structural elements that provide,thermal, radiation, water, solids and air treatment functions which are placed at the periphery of inflatable or rigid habitats. It also provides novel and potentially game changing mass reduction and reuse options for radiation protection. The approach would allow water recycling, air treatment, thermal control, and solids residuals treatment and recycling to be removed from the usable habitat volume, and placed in the walls by way of a radiation shielding water wall. It would also provide a mechanism to recover and reuse water treatment (solids) residuals to strengthen the habitat shell and a method of deriving radiation shielding from wastes generated on orbit. Water wall treatment elements would be a much-enlarged version of the commercially available hydration bags. Some water bags may have pervaporation membranes facing outward, which would provide the ability to remove H20, C02 and trace organics from the atmosphere and some would have hydrophobic internal membranes which would provide water, and waste recycling and some power generation.

Water Recycling↗
NASA NTRS2009

Liquid Water on Enceladus from Observations of Ammonia and Ar-40 in the Plume

Jets of water ice from surface fractures near the south pole of Saturn's icy moon Enceladus produce a plume of gas and particles. The source of the jets may be a liquid water region under the ice shell-as suggested most recently by the discovery of salts in E-ring particles derived from the plume-or warm ice that is heated, causing dissociation of clathrate hydrates. Here we report that ammonia is present in the plume, along with various organic compounds, deuterium and, very probably, Ar-40. The presence of ammonia provides strong evidence for the existence of at least some liquid water, given that temperatures in excess of 180 K have been measured near the fractures from which the jets emanate. We conclude, from the overall composition of the material, that the plume derives from both a liquid reservoir (or from ice that in recent geological time has been in contact with such a reservoir) as well as from degassing, volatile-charged ice. As part of a general comprehensive review of the midsize saturnian satellites at the conclusion of the prime Cassini mission, PI McKinnon and co-I Barr contributed to three review chapters.

Waite, J. H., Jr.↗
NASA NTRS2017

Long-term Neutron Background Environment Measured by the Dynamic Albedo of Neutrons (DAN) Instrument onboard Mars Science Laboratory (MSL)

The Dynamic Albedo of Neutrons (DAN) instrument onboard Mars Science Laboratory (MSL) consists of a pulsed neutron generator (PNG) and the neutron detector/electronics (DE) module. There are two 3He-proportional counters used in the DE module. One counter is surrounded with a Cd shell enclosure and measures epi-thermal neutrons with >0.4 eV. The second detector does not have a Cd shell enclosure and measures both thermal and epi-thermal neutrons. The main scientific objectives of DAN are two-fold: (1) the primary objective is to measure the bulk hydrogen abundance (in forms of water or hydrated minerals) of the sub-surface and (2) the secondary objective is to measure the background neutron environment at the surface. DAN achieves the first objective by using a pulsed 14 MeV neutron source (ACTIVE mode). Emitted neutrons undergo a series of nuclear interactions with the regolith and lose energy. The DAN DE module then measures the time profile of the neutrons returned from the regolith. Even a small amount of hydrogen, as low as 0.1 weight % in the regolith, can effectively moderate the high energy neutrons [Mitrofanov, et al., ]. The less-moderated (or epi-thermal) neutrons arrive at the detector earlier than the more-moderated (or thermal) neutrons. The shape and magnitude of neutron time profile curves after pulses can be used to estimate the depth distribution of the hydrogen content. When no neutron pulse is used (PASSIVE mode) DAN measures the neutron background environment at the Mars surface. There are two sources of the background neutrons which DAN would measure: one is secondary neutrons generated by galactic cosmic ray (GCR) interactions with atmospheric and surface materials and the other is neutrons from the Multi-Mission Radioisotope Thermoelectric Generator (MMRTG) onboard MSL as a power source. The passive mode data for the first 1300 sols of the MSL mission are presented in this paper. A summary of the DAN surface operation is described by [Mitrofanov et al., 2012; Jun et al., 2013.

Tate, C.↗
NASA NTRS2009

One-Hundred-km-Scale Basins on Enceladus: Evidence for an Active Ice Shell

Stereo-derived topographic mapping of 50% of Enceladus reveals at least 6 large-scale, ovoid depressions (basins) 90-175 km across and 800-to-1500 m deep and uncorrelated with geologic boundaries. Their shape and scale are inconsistent with impact, geoid deflection, or with dynamically supported topography. Isostatic thinning of Enceladus ice shell associated with upwellings (and tidally-driven ice melting) can plausibly account for the basins. Thinning implies upwarping of the base of the shell of 10-20 km beneath the depressions, depending on total shell thickness; loss of near-surface porosity due to enhanced heat flow may also contribute to basin lows. Alternatively, the basins may overly cold, inactive, and hence denser ice, but thermal isostasy alone requires thermal expansion more consistent with clathrate hydrate than water ice. In contrast to the basins, the south polar depression (SPD) is larger (~350 wide) and shallower (~0.4-to-0.8 km deep) and correlates with the area of tectonic deformation and active resurfacing. The SPD also differs in that the floor is relatively flat (i.e., conforms roughly to the global triaxial shape, or geoid) with broad, gently sloping flanks. The relative flatness across the SPD suggests that it is in or near isostatic equilibrium, and underlain by denser material, supporting the polar sea hypothesis of Collins and Goodman. Near flatness is also predicted by a crustal spreading origin for the "tiger stripes (McKinnon and Barr 2007, Barr 2008); the extraordinary, high CIRS heat flows imply half-spreading rates in excess of 10 cm/yr, a very young surface age (~250,000 yr), and a rather thin lithosphere (hence modest thermal topography). Topographic rises in places along the outer margin of the SPD correlate with parallel ridges and deformation along the edge of the resurfaced terrain, consistent with a compressional, imbricate thrust origin for these ridges, driven by the spreading.

Schenk, Paul M.↗
NASA NTRS1986

Refractory grain processing in circumstellar shells Diagnostic infrared signatures

Recent advances in infrared speckle interferometry reported by Ridgway, et al. (1986) have made possible the determination of the temperatures at the inner radius of certain dusty outflows. When combined with recent data on the thermal annealing and hydrous alteration rates of amorphous magnesium silicate grains, this information allows one to predict that grains heated to high temperatures around stars such as NML Cygnus will be more crystalline than will cooler grains around stars like IRC +10420. In 1985, Jura and Morris (1985) showed that water vapor can condense on previously nucleated refractory grains in some stellar outflows. Stochastic heating events might provide sufficient energy to produce hydrated silicates from orginally amorphous grains provided that the loss of water from such materials does not occur too rapidly. Observable consequences of both types of grain processing are discussed.

Nuth, Joseph A., III↗
NASA NTRS1989

A spectral difference between silicates in Comet Halley and interstellar silicates

The authors obtained an intermediate resolution (1 percent) spectrum of the 8 to 13 micron region in Comet Halley which shows a prominent silicate emission feature with structure not observed before in other comets or in interstellar silicates. They confirm the presence of a strong 11.3 micron peak reported by Bregman et al. (1987) and find evidence for additional structure in the band. The 11.3 micron peak represents the main difference between the Halley Spectrum and that of Comet Kohoutek. The Kohoutek Spectrum is similar to that of the circumstellar shell around mu Ceph. Based on a comparison with the spectra of Interplanetary Dust Particles (Sandford and Walker 1985), most of which are believed to be of cometary origin, the authors attribute the 11.3 micron peak to small crystalline olivine particles, although other minerals cannot be ruled out. Their interpretation is supported by the airborne observation of four emission peaks near 24, 28, 35 and 45 microns which can also be matched with iron-magnesium silicates including crystalline olivine. Other types of silicates (such as hydrated or amorphous) are necessary to explain the width and the 9.7 micron peak of the emission observed in Comet Halley.

Campins, Humberto↗
NASA NTRS2003

Near-infrared detection of potential evidence for microscopic organisms on Europa

The possibility of an ocean within the icy shell of Jupiter's moon Europa has established that world as a primary candidate in the search for extraterrestrial life within our Solar System. This paper evaluates the potential to detect evidence for microbial life by comparing laboratory studies of terrestrial microorganisms with measurements from the Galileo Near Infrared Imaging Spectrometer (NIMS). If the interior of Europa at one time harbored life, some evidence may remain in the surface materials. Examination of laboratory spectra of terrestrial extremophiles measured at cryogenic temperatures reveals distorted, asymmetric nearinfrared absorption features due to water of hydration. The band centers, widths, and shapes of these features closely match those observed in the Europa spectra. These features are strongest in reddish-brown, disrupted terrains such as linea and chaos regions. Narrow spectral features due to amide bonds in the microbe proteins provide a means of constraining the abundances of such materials using the NIMS data. The NIMS data of disrupted terrains exhibit distorted, asymmetric near-infrared absorption features consistent with the presence of water ice, sulfuric acid octahydrate, hydrated salts, and possibly as much as 0.2 mg cm(-3) of carbonaceous material that could be of biological origin. However, inherent noise in the observations and limitations of spectral sampling must be taken into account when discussing these findings.

Extraterrestrial Environment↗
NASA NTRS2004

Lunar and Planetary Science XXXV: Outer Solar System

The session 'Outer Solar System" inlcuded:Monte Carlo Modeling of [O I] 630 nm Auroral Emission on Io; The Detection of Iron Sulfide on Io; Io and Loki in 2003 as Seen from the Infrared Telescope Facility Using Mutual Satellite and Jupiter Occultations; Mapping of the Zamama-Thor Region of Io; First Solar System Results of the Spitzer Space Telescope; Mapping the Surface of Pluto with the Hubble Space Telescope; Experimental Study on Fischer-Tropsch Catalysis in the Circum-Saturnian Subnebula; New High-Pressure Phases of Ammonia Dihydrate; Gas Hydrate Stability at Low Temperatures and High Pressures with Applications to Mars and Europa; Laboratory UV Photolysis of Planetary Ice Analogs Containing H2O + CO2 (1:1); The OH Stretch Infrared Band of Water Ice and Its Temperature and Radiation Dependence; Band Position Variations in Reflectance Spectra of the Jovian Satellite Ganymede; Comparison of Porosity and Radar Models for Europa s Near Surface; Combined Effects of Diurnal and Nonsynchronous Surface Stresses on Europa; Europa s Northern Trailing Hemisphere: Lineament Stratigraphic Framework; Europa at the Highest Resolution: Implications for Surface Processes and Landing Sites; Comparison of Methods to Determine Furrow System Centers on Ganymede and Callisto; Resurfacing of Ganymede by Liquid-Water Volcanism; Layered Ejecta Craters on Ganymede: Comparisons with Martian Analogs; Evaluation of the Possible Presence of CO2-Clathrates in Europa s Icy Shell or Seafloor; Geosciences at Jupiter s Icy Moons: The Midas Touch; Planetary Remote Sensing Science Enabled by MIDAS (Multiple Instrument Distributed Aperture Sensor); and In Situ Surveying of Saturn s Rings.

Source record↗