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At least 433 records · Page 24

The moon as a high temperature condensate

The accretion during condensation mechanism is used to explain the differences in composition of the terrestrial planets and the moon. Many of the properties of the moon, including the enrichment in Ca, Al, Ti, U, Th, Ba, Sr and the REE and the depletion in Fe, Rb, K, Na and other volatiles can be understood if the moon represents a high temperature condensate from the solar nebula. Thermodynamic calculations show that Ca, Al and Ti rich compounds condense first in a cooling nebula. The high temperature mineralogy is gehlenite, spinel perovskite, Ca-Al-rich pyroxenes and anorthite. The model is consistent with extensive early melting, shallow melting at 3 A.E. and with presently high speed internal temperatures. It is predicted that the outer 250 km is rich in plagioclase and FeO. The low iron content of the interior in this model raises the interior temperatures estimated from electrical conductivity by some 800 C. The lunar crust is 80 percent gabbroic anorthosite, 20 percent basalt and is about 250-270 km thick. The lunar mantle is probably composed of spinel, merwinite and diopside with a density of 3.4 g/cu cm.

Anderson, D. L.↗

A model for eruption behavior of a volcanic vent in eastern Mare Serenitatis

The origin is considered of droplets of ultramafic composition which are present in all soils collected from the mare surface at the Apollo 17 landing site. The droplets consist of homogeneous orange glass or their partially crystallized equivalent, the black droplets. These clastic deposits have a mean grain size of 40 micrometers. The droplet formation ages range from 3.5 to 3.83 b.y. It has been proposed that the droplets formed as a spray of low viscosity melt during lava fountaining. Based upon the thermal history as determined by studying olivine and particle shapes, two models for the formation of the sequence of droplets represented by samples 74001 and 74220 are presented. Both models assume, as proposed by Heiken et al. (1974), that the droplets were formed as a spray from a lava fountain and the compound forms were evidence for 'recycling' of solid, cooler droplets back into the fountain, encountering molten droplets before being deposited.

Heiken, G.↗

Electron Spin Resonance (ESR) detection of active oxygen species and organic phases in Martian soils

The presence of active oxygen species (O(-), O2(-), O3(-)) and other strong oxidants (Fe2O3 and Fe3O4) was invoked in interpretations of the Viking biological experiments and a model was also suggested for Martian surface chemistry. The non-biological interpretations of the biological results gain futher support as no organic compounds were detected in the Viking pyrolysis-gas chromatography mass spectrometer (GCSM) experiments at concentrations as low as 10 ppb. Electron spin resonance (ESR) measures the absorption of microwaves by a paramagnetic and/or ferromagnetic center in the presence of an external field. In many instances, ESR has the advantage of detailed submicroscopic identification of the transient species and/or unstable reaction intermediates in their environments. Since the higly active oxygen species (O(-), O2(-), O3(-), and R-O-O(-)) are all paramagnetic in nature, they can be readily detected in native form by the ESR method. Active oxygen species likely to occur in the Martian surface samples were detected by ESR in UV-irradiated samples containing MgO. A miniaturized ESR spectrometer system can be developed for the Mars Rover Sample Return Mission. The instrument can perform the following in situ Martian samples analyses: detection of active oxygen species; characterization of Martian surface chemistry and photooxidation processes; and searching for organic compounds in the form of free radicals preserved in subsoils, and detection of microfossils with Martian carbonate sediments.

Tsay, Fun-Dow↗

The states of carbon and nitrogen atoms after photodissociation of CN, CH, CH(+), C2, C3, and CO in comets

The photodissociation of carbon compounds by solar UV radiation at a heliocentric distance of 1 AU is examined, comparing published observational data with the predictions of theoretical models and results from laboratory experiments. It is shown that species other than CO, including CN, CH, CH(+), C2, and C3, can contribute to the observed brightness of the VUV lines of C I (156.1, 165.7, and 193.1 nm) and C II (133.5 nm) in comet comae. CN photodissociation is also found to produce metastable 2D0 and 2P0 N I atoms, possibly leading (at heliocentric distances less than 0.25 AU) to 143.9-nm emission via resonance fluorescence.

Singh, P. D.↗

A two-dimensional study of ethane and propane oxidation in the troposphere

The chemistry of ethane and propane is studied using a global two-dimensional 'zonally averaged' height- and latitude-dependent tropospheric model. The purpose of the study is to derive theoretical estimates of the seasonal and latitudinal distributions of a variety of intermediate organic compounds formed by the photochemical oxidation of C2H6 and C3H8. It is shown that C2H6 and C3H8 emitted at rates of 16 Tg C2H6/a and 23 Tg C3H8/a do not affect the overall photochemistry of the troposphere significantly. Major global effects on O3 and OH concentrations are suggested to be coming from the formation of peroxyacetyl nitrate by the interactions of NOx with other hydrocarbons with strong and spatially correlated anthropogenic or natural sources at the earth's surface. It is pointed out that attention should be given to organic nitrates produced by the oxidation of NMHC other than C2H6 and C3H8.

Kanakidou, M.↗

Water/rock interactions in experimentally simulated dirty snowball and dirty iceball cometary nuclei

In the dirty snowball model for cometary nuclei, comet-nucleus materials are regarded as mixtures of volatile ices and relatively non-volatile minerals or chemical compounds. Carbonaceous chondrite meteorites are regarded as useful analogs for the rocky component. To help elucidate the possible physical geochemistry of cometary nuclei, preliminary results are reported of calorimetric experiments with two-component systems involving carbonaceous chondrites and water ice. Based on collective knowledge of the physics of water ice, three general types of interactions can be expected between water and minerals at sub-freezing temperatures: (1) heterogeneous nucleation of ice by insoluble minerals; (2) adsorption of water vapor by hygroscopic phases; and (3) freezing- and melting-point depression of liquid water sustained by soluble minerals. The relative and absolute magnitude of all three effects are expected to vary with mineral composition.

Gooding, James L.↗

Explaining the Accumulation of Intercontinental Biomass Burning Pollution: High Versus Low Processes, Africa Versus South America, Cooking Versus Mixing

The intercontinental buildup of tropospheric ozone, carbon monoxide, and other pollutants over the South Atlantic has been attributed to biomass burning over distant continents. We address several of the large questions regarding the nature and budget of this buildup have remained: What is the role of turning In South America or various portions of Africa in this accumulation? What are the relative roles of shallow and deep convection for emplacing various compounds in the free troposphere? Can we understand the ozone budget? We report the first simulations of a three-dimensional pollutant transport model, (GRACES) transport which is driven by fully reconstructed meteorology for the TRACE-A/SAFARI period of 1992. Greater detail is provided by a two-dimensional, detailed-chemistry model of more restricted regions of Africa. We find a predominant role for African emissions affecting the Atlantic during this period. Boundary-layer venting via PBL convection tends to build the observed carbon monoxide column over the ocean, while deep cumulonimbus processes tend to explain rather more of the ozone column.

Chatfield, Robert B.↗

Multi-junction Thin-film Solar Cells on Flexible Substrates for Space Power

The ultimate objective of the thin-film program at NASA GRC is development of a 20 percent AM0 thin-film device technology with high power/weight ratio. Several approaches are outlined to improve overall device efficiency and power/weight ratio. One approach involves the use of very lightweight flexible substrates such as polyimides (i.e., Kapton(Trademark)) or metal foil. Also, a compound semiconductor tandem device structure that can meet this objective is proposed and simulated using Analysis of Microelectronic and Photonic Structures (AMPS). AMPS modeling of current devices in tandem format indicate that AM0 efficiencies near 20 percent can be achieved. And with improvements in materials, efficiencies approaching 25 percent are achievable. Several important technical issues need to be resolved to realize these complex devices: development of a wide bandgap material with good electronic properties, development of transparent contacts, and targeting a 2-terminal device structure (with more complicated processing and tunnel junction) or 4-terminal device. Recent progress in the NASA GRC program is outlined.

Hepp, Aloysius F.↗

Towards Test Driven Development for Computational Science with pFUnit

Developers working in Computational Science & Engineering (CSE)/High Performance Computing (HPC) must contend with constant change due to advances in computing technology and science. Test Driven Development (TDD) is a methodology that mitigates software development risks due to change at the cost of adding comprehensive and continuous testing to the development process. Testing frameworks tailored for CSE/HPC, like pFUnit, can lower the barriers to such testing, yet CSE software faces unique constraints foreign to the broader software engineering community. Effective testing of numerical software requires a comprehensive suite of oracles, i.e., use cases with known answers, as well as robust estimates for the unavoidable numerical errors associated with implementation with finite-precision arithmetic. At first glance these concerns often seem exceedingly challenging or even insurmountable for real-world scientific applications. However, we argue that this common perception is incorrect and driven by (1) a conflation between model validation and software verification and (2) the general tendency in the scientific community to develop relatively coarse-grained, large procedures that compound numerous algorithmic steps.We believe TDD can be applied routinely to numerical software if developers pursue fine-grained implementations that permit testing, neatly side-stepping concerns about needing nontrivial oracles as well as the accumulation of errors. We present an example of a successful, complex legacy CSE/HPC code whose development process shares some aspects with TDD, which we contrast with current and potential capabilities. A mix of our proposed methodology and framework support should enable everyday use of TDD by CSE-expert developers.

pFUnit↗

Hydrothermal Decomposition of Amino Acids and Origins of Prebiotic Meteoritic Organic Compounds

The organic compounds found in carbonaceous chondrite meteorites provide insight into primordial solar system chemistry. Evaluating the formation and decomposition mechanisms of meteoritic amino acids may aid our understanding of the origins of life and homochirality on Earth. The amino acid glycine is widespread in meteorites and other extraterrestrial environments; other amino acids, such as isovaline, are found with enantiomeric excesses in some meteorites. The relationship between meteoritic amino acids and other compounds with similar molecular structures, such as aliphatic monoamines and monocarboxylic acids is unclear; experimental results evaluating the decomposition of amino acids have produced inconclusive results about the preferred pathways, reaction intermediates, and if the conditions applied may be compatible with those occurring inside meteoritic parent bodies. In this work, we performed extensive tandem metadynamics, umbrella sampling, and committor analysis to simulate the neutral mild hydrothermal decomposition mechanisms of glycine and isovaline and put them into context for the origins of meteoritic organic compounds. Our ab initio simulations aimed to determine free energy profiles and decomposition pathways for glycine and isovaline. We found that under our modeled conditions, methylammonium, glycolic acid, and sec-butylamine are the most likely decomposition products. These results suggest that meteoritic aliphatic monocarboxylic acids are not produced from decomposition of meteoritic amino acids. Our results also indicate that the decomposition of L-isovaline prefers an enantioselective pathway resulting in the production of (S)-sec-butylamine.

Enhanced sampling↗

The coalescence of two merged interaction regions between 6.2 and 9.5 AU - September 1979 event

A simulation study, based on an unsteady, one-dimensional, one-fluid MHD model, and using the plasma and magnetic field data from the Voyager 1 at 6.2 AU, was conducted on the evolution and interaction of solar wind structures to explain the two interaction regions observed by Voyager 1 within a large-scale interplanetary compound stream that was recorded at a heliocentric distance of 6.2 AU. A strong forward shock F(D) with a speed of 960 km/s was present at the front of the second interaction region, and two reverse shocks, R1 and R2, were at the end of the first interaction region. The model shows that the forward shock passed through the two reverse shocks and into the first interaction region, becoming weaker in each of these interactions. The reverse shocks coalesced to form a stronger reverse shock R; thus, the shock signature changed from R1-R2-F(D) to F(D)-R between 6.2 and 9.5 AU. The major stream structures at 9.5 AU predicted by the simulation model agree well with those directly observed from Pioneer 11.

Whang, Y. C.↗

Comparison of Model and Observed Regional Temperature Changes During the Past 40 Years

Results are presented for six simulations of the Goddard Institute for Space Studies (GISS) global atmosphere-ocean model for the years 1950 to 2099. There are two control simulations with constant 1950 atmospheric composition from different initial states, two GHG experiments with observed greenhouse gases up to 1990 and compounded .5% CO2 annual increases thereafter, and two GHG+SO4 experiments with the same varying greenhouse gases plus varying tropospheric sulfate aerosols. Surface air temperature trends in the two GHG experiments are compared between themselves and with the observed temperature record from 1960 and 1998. All comparisons show high positive spatial correlation in the northern hemisphere except in summer when the greenhouse signal is weakest. The GHG+SO4 experiments show weaker correlations. In the southern hemisphere, correlations are either weak or negative which in part are due to the model's unrealistic interannual variability of southern sea ice cover. The model results imply that temperature changes due to forcing by increased greenhouse gases have risen above the level of regional interannual temperature variability in the northern hemisphere over the past 40 years. This period is thus an important test of reliability of coupled climate models.

Russell, Gary L.↗

Innovative Drug Selection, Storage, and Shelf-Life Strategies for Exploration Spaceflight

Medications have been a part of space travel dating back to the Apollo missions. A safe and effective medication formulary is essential to maintaining crew health and performance during long-duration spaceflight outside of low Earth orbit (LEO). Distance from Earth creates four key operational changes that increase medical risks, including communication, resupply, crewmember health, and evacuation. The current spaceflight pharmaceutical formulary consists of medications indicated to treat a variety of anticipated medical events and healthcare needs during spaceflight, but depends on a robust consumables resupply chain, which may be strained for a Lunar, and possibly non-existent for a Mars mission. The specific medications selections for the formulary may change to optimally align with the mission, crew compliment, and spacecraft design. Medical support at long-duration exploration missions will differ from LEO missions due to mission duration, lack of consumables resupply, prolonged exposure to space radiation, and the absence of emergency medical return capability. Loss of medication resupply limits or removes the ability to replace medications that have been exhausted or degraded, potentially exacerbating the medical risk posture. To address these anticipated risks, long-duration missions must consider use of novel medical technologies, treatment modalities, and smart medical systems that offer greater crew autonomy, such as physiologically based pharmacokinetic modeling, drug repurposing, on demand drug synthesis, or wearable drug delivery / monitoring devices. Once an ideal formulary for exploration space is determined, it is essential to establish the chemical and physical stability of each medication compound, as well as its safety by identifying its degradation profiles and products. Although few studies have been conducted to provide evidence on the physicochemical stability of pharmaceuticals during space missions, the data suggests that the spaceflight environment may promote degradation in some pharmaceuticals. Formulary drug purity and efficacy should be verified by pharmaceutical stability assessments, and can be realized non-destructively, and accessed in remote environments. Non-destructive pharmaceutical analysis and statistical modelling techniques could optimize exploration spaceflight medical care by enabling early detection of suboptimal therapeutics. Likewise, novel packaging, storage strategies, and dosage form innovations are promising countermeasures to optimize pharmaceutical shelf life, purity, and quality of exploration spaceflight medications. As we prepare for more distant exploration missions, risk management planning for astronaut healthcare should include the assembly of a medication formulary that is comprehensive enough to prevent or treat anticipated medical events, remains safe and chemically stable, and retains sufficient potency to last for the duration of the mission. Following extensive review of the literature, we will present innovative formulary optimization strategies, pharmaceutical stability assessment techniques, and storage and packaging solutions that could enhance drug safety and efficacy for future exploration spaceflight missions.

Vernie R Daniels↗

Primitive atmosphere and implications for the formation of channels on Mars

It is suggested that, if primitive Mars had a reducing atmosphere composed mainly of methane, this atmosphere could be polymerized by solar ultraviolet radiation to produce higher hydrocarbons. These compounds, which would be low-viscosity liquids at present temperatures on Mars, could have contributed to the formation of channels. The Martian atmosphere model used in the analysis is similar to Sagan's (1977), except that ammonia is omitted. Major reactions in this early Martian atmosphere are examined, and the number densities of the lighter alkanes in the lower atmosphere of Mars are determined. Since the photochemical mechanism investigated here would provide only a modest amount of fluid for a comparatively brief period of time (10-100 million years), liquid alkanes would not be the major factor in the formation of the channels, although their derivatives could contribute to the greenhouse effect or depress the freezing point of water.

Yung, Y. L.↗

Hydrazines and carbohydrazides produced from oxidized carbon in earth's primitive environment

Whether abiological organic compounds can be formed from the interactions of energy sources with nitrogen, oxidized carbon and water is held to be of importance in geochemical models of the primordial earth atmosphere. It is reported that experiments using quenched spark discharges through molecular nitrogen on aqueous suspensions of CaCO3 and other reactants to simulate the hydrosphere/atmosphere interface yield hydrazine and carbohydrazine in significant but low yields. Such reactions in primitive aquatic environments may have supplied a pathway for chemical evolution and the origin of life, on a primitive earth in which fully oxidized states of carbon were available for the primary synthesis of organic matter.

Folsome, C. E.↗

The principle of cooperation and life's origin and evolution

In simple terms a living entity is a negentropic system that replicates, mutates and evoluves. A number of suggestions have been made, such as directed panspermia, atmospheric photosynthesis, genetic overtaking from inorganic processes, etc., as alternative models to the accepted Oparin-Haldane-Urey model of the origin of life on Earth. This has probably occurred because in spite of tremendous advances in the prebiotic synthesis of biochemical compounds, the fundamental problem of the appearance of the first life--a primordial replicating cell-ancestral to all other forms of extant life, has remained elusive. This is indeed a reflection on the different fundamental nature of the problem involved. Regardless of which were the fundamental processes which occurred on the primitive Earth, it has to end up with the fundamental characteristics of an ancestral protocell. The problem of the emergence of the first ancestral cell was one of synergistic macromolecular cooperation, as it has been discussed by authors recently (COSPAR XXV Plenary Meeting). An analogous situation must have occurred at the time of the appearance of the first eucaryotic organism. Procaryotic life appeared probably during the first 600 million years of Earth history when the Earth was sufficiently cool and continually bombarded (in the late accretion period) by comets and minor bodies of the solar system, when the sea had not yet acquired its present form.

Oro, J.↗

The origin and early evolution of life on earth

Results of the studies that have provided insights into the cosmic and primitive earth environments are reviewed with emphasis on those environments in which life is thought to have originated. The evidence bearing on the antiquity of life on the earth and the prebiotic significance of organic compounds found in interstellar clouds and in primitive solar-system bodies such as comets, dark asteroids, and carbonaceous chondrites are assessed. The environmental models of the Hadean and early Archean earth are discussed, as well as the prebiotic formation of organic monomers and polymers essential to life. The processes that may have led to the appearance in the Archean of the first cells are considered, and possible effects of these processes on the early steps of biological evolution are analyzed. The significance of these results to the study of the distribution of life in the universe is evaluated.

Oro, J.↗

Utilizing Ion-Mobility Data to Estimate Molecular Masses

A method is being developed for utilizing readings of an ion-mobility spectrometer (IMS) to estimate molecular masses of ions that have passed through the spectrometer. The method involves the use of (1) some feature-based descriptors of structures of molecules of interest and (2) reduced ion mobilities calculated from IMS readings as inputs to (3) a neural network. This development is part of a larger effort to enable the use of IMSs as relatively inexpensive, robust, lightweight instruments to identify, via molecular masses, individual compounds or groups of compounds (especially organic compounds) that may be present in specific environments or samples. Potential applications include detection of organic molecules as signs of life on remote planets, modeling and detection of biochemicals of interest in the pharmaceutical and agricultural industries, and detection of chemical and biological hazards in industrial, homeland-security, and industrial settings.

Duong, Tuan↗