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All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Carboxylic and Dicarboxylic Acids Extracted from Crushed Magnesium Oxide Single Crystals

Carboxylic and dicarboxylic acids (glycolic, oxalic, malonic and succinic) have been extracted with tetrahydrofuran (THE) and H2O from large synthetic MgO crystals, crushed to a medium fine powder. The extracts were characterized by infrared spectroscopy and (sup 1)H-NMR (Nuclear Magnetic Resonance). The THF extracts were derivatized with tert-butyldimethylsilyl (t-BDMS) for GC-MS (Gas Chromatography - Mass Spectroscopy) analysis. A single crystal separated from the extract was used for an x-ray structure analysis, giving the monoclinic unit cell, space group P2(sub 1)/c with a(sub o) = 5.543 A, b(sub o) = 8.845 A, c(sub o) = 5.086 A, and beta = 91.9 degrees, consistent with beta-succinic acid, HOOC(CH2)COOH. The amount of extracted acids is estimated to be of the order of 0.1 to 0.5 mg/g MgO. The MgO crystals from which these organic acids were extracted grew from the 2360 C hot melt, saturated with CO/CO2 and H2O, thereby incorporating small amounts of the gaseous components to form a solid solution (ss) with MgO. Upon cooling, the ss becomes supersaturated, causing solute carbon and other solute species to segregate not only to the surface but also internally, to dislocations and subgrain boundaries. The organic acids extracted from the MgO crystals after crushing appear to derive from these segregated solutes that formed C-C, C-H, and C-O bonds along dislocations and other defects in the MgO structure, leading to entities that can generically be described as (HxCyOz)(sup n-). The processes underlying the formation of these precursors are fundamental in nature and expected to be operational in any minerals, preferentially those with dense structures, that crystallized in H2O-CO2-laden environments. This opens the possibility that common magmatic and metamorphic rocks when weathering at the surface of a tectonically active planet like Earth may be an important source of abiogenically formed complex organic compounds.

Freund, Friedemann↗
NASA NTRS2002

Prebiotic Processing induced by Comet and Meteor Impact

In their study of organic synthesis from impact shocks using the laser-induced-plasma (LIP) technique, McKay and Borucki(l) found that organic synthesis preferentially occurred in a reducing gas mixture rich in methane, and not in a mixture rich in carbon dioxide. This result means chemical models based on the thermodynamical equilibrium approach do not apply to shock chemistry. In this study, we employ the technique of reacting flow, i.e., chemical kinetics in a fluid flow, to simulate the chemistry occurring in LIP and in the wake region from comet or meteor impact. Three different air compositions have been used: (1) 1/3 CO2 and 2/3 H2, (2) pure CH4, and (3) 1/4 CH4, 1/4 CO2, and 1/2 H2O. The stoichiometric ratio of gas mixtures (1) and (3) are kept the same. For (1) we obtain equal mole fractions of CO and H2O as the major products and for (2) C2H2 is the major product. In both cases our results are in agreement with Ref. (1). For (3) we find an interesting case where the nature of chemicals produced to be critically dependent on the flowfield temperature. At the higher temperature part of the wake region, CO and H2O are the dominant products, whereas in the cooler region C2H2 is the dominant product. Further studies of these reactions, as well as for the gas mixture including N2, are being pursued.

Dateo, Christopher E.↗
NASA NTRS1998

Ab Initio Calculations of Water Line Strengths

We report on the determination of a high quality ab initiu potential energy surface (PES) and dipole moment function for water. This PES is empirically adjusted to improve the agreement between the computed line positions and those from the HITRAN 92 data base with J less than 6 for H2O. The changes in the PES are small, nonetheless including an estimate of core (oxygen 1s) electron correlation greatly improves the agreement with experiment. Using this adjusted PES, we can match 30,092 of the 30,117 transitions in the HITRAN 96 data base for H2O with theoretical lines. The 10,25,50,75, and 90 percentiles of the difference between the calculated and tabulated line positions are -0.11, -0.04, -0.01, 0.02, and 0.07 l/cm. Non-adiabatic effects are not explicitly included. About 3% of the tabulated line positions appear to be incorrect. Similar agreement using this adjusted PES is obtained for the oxygen 17 and oxygen 18 isotopes. For HDO, the agreement is not as good, with root-mean-square error of 0.25 l/cm for lines with J less than 6. This error is reduced to 0.02 l/cm by including a small asymmetric correction to the PES, which is parameterized by simultaneously fitting to HDO md D2O data. Scaling this correction by mass factors yields good results for T2O and HTO. The intensities summed over vibrational bands are usually in good agreement between the calculations and the tabulated results, but individual lines strengths can differ greatly. A high temperature list consisting of 307,721,352 lines is generated for H2O using our PES and dipole moment function.

Schwenke, David W.↗
NASA NTRS1998

Unraveling the 10 micron "silicate" feature of protostars: the detection of frozen interstellar ammonia

We present infrared spectra of four embedded protostars in the 750-1230 cm-1 (13.3-8.1 microns) range. For NGC 7538 IRS 9, a new band is reported at 1110 cm-1 (9.01 microns, and several others may be present near 785, 820, 900, 1030, and 1075 cm-1 (12.7, 12.2, 11.1, 9.71, and 9.30 microns). The band 1110 cm-1 is attributed to frozen NH3. Its position and width imply that the NH3 is frozen in a polar, H2O-rich interstellar ice component. The NH3/H2O ice ratio inferred for NGC 7538 IRS 9 is 0.1, making NH3 as important a component as CH3OH and CO2 in the polar ices along this line of sight. At these concentrations, hydrogen bonding between the NH3 and H2O can account for much of the enigmatic low-frequency wing on the 3240 cm-1 (3.09 microns) H2O interstellar ice band. The strength of the implied NH3 deformation fundamental at 1624 cm-1 (6.158 microns) can also account for the absorption at this position reported by ISO.

NASA Center ARC↗
NASA NTRS1988

The 2.5-12 micrometers spectrum of comet Halley from the IKS-VEGA experiment

The infrared instrument IKS flown on board the VEGA space probes was designed for the detection of emission bands of parent molecules, and for a measurement of the size and temperature of the thermal emitting nuclear region. The instrument had three channels with cooled detectors: an "imaging channel" designed to modulate the signal of the nucleus and two spectroscopic channels operating at 2.5-5 and 6-12 micrometers, respectively, equipped with circular variable filters of resolving power approximately 50. This paper presents and discusses the results from the spectral channels. On VEGA 1, usable spectra were obtained at distances D from the comet nucleus ranging from 250,000 to 40,000 km corresponding to fields of view 4000 and 700 km in diameter, respectively. The important internal background signal caused by the instrument itself, which could not be cooled, had to be eliminated. Since no sky chopping was performed, we obtain difference spectra between the current spectrum and a reference spectrum with little or no cometary signal taken at the beginning of the observing sequence (D approximately 200,000 km). Final discrimination between cometary signal and instrumental background is achieved using their different time evolution, since the instrumental background is proportional to the slow temperature drift of the instrument, and the cometary signal due to parent molecules or dust grains is expected to vary in first order as D-1. The 2.5-5 micrometers IKS spectra definitely show strong narrow signals at 2.7 and 4.25 micrometers, attributed to the nu 3 vibrational bands of H2O and CO2, respectively, and a broader signal in the region 3.2-3.5 micrometers, which may be attributed to CH-bearing molecules. All these signals present the expected D-1 intensity variation. Weaker emission features at 3.6 and 4.7 micrometers could correspond to the nu 1 and nu 5 bands of H2CO and the (1 - 0) band of CO, respectively. Molecular production rates are derived from the observed emissions, assuming that they are due to resonance fluorescence excited by the Sun's infrared radiation. For the strong bands of H2O and CO2, the rovibrational lines are optically thick, and radiative transfer is taken into account. We derive production rates, at the moment of the VEGA 1 flyby, of approximately 10(30) sec-1 for H2O, approximately 2.7 x 10(28) sec-1 for CO2, approximately 5 x 10(28) sec-1 for CO, and 4 x 10(28) sec-1 for H2CO, if attributions to CO and H2CO are correct. The production rate of carbon atoms in CH-bearing molecules is approximately 9 x 10(29) sec-1 assuming fluorescence of molecules in the gas phase, but could be much less if the 3.2-3.5 micrometers emission is attributed to C-H stretch in polycyclic aromatic hydrocarbons or small organic grains. In addition, marginal features are present at 4.85 and 4.45 micrometers, tentatively attributed to OCS and molecules with the CN group, respectively. Broad absorption at 2.8-3.0 micrometers, as well as a narrow emission at 3.15 micrometers, which follow well the D-1 intensity variation, might be due to water ice. Emission at 2.8 micrometers is also possibly present, and might be due to OH created in vibrationally excited states after water photodissociation. The 6-12 micrometers spectrum does not show any molecular emission, nor emission in the 7.5-micrometers region. The spectrum is dominated by silicate emission showing a double structure with maxima at 9.0 and 11.2 micrometers, which suggests the presence of olivine.

NASA Discipline Number 52-10↗
NASA NTRS1999

Carboxylic and dicarboxylic acids extracted from crushed magnesium oxide single crystals

Carboxylic and dicarboxylic acids (glycolic, oxalic, malonic and succinic) have been extracted with tetrahydrofuran (THF) and H2O from large synthetic MgO crystals, crushed to a medium fine powder. The extracts were characterized by infrared spectroscopy and 1H-NMR. The THF extracts were derivatized with tert-butyldimethylsilyl (t-BDMS) for GC-MS analysis. A single crystal separated from the extract was used for an x-ray structure analysis, giving the monoclinic unit cell, space group P21/c with ao = 5.543 A, bo = 8.845 A, co = 5.086 A, and beta = 91.9 degrees, consistent with beta-succinic acid, HOOC(CH2)COOH. The amount of extracted acids is estimated to be of the order of 0.1 to 0.5 mg g-1 MgO. The MgO crystals from which these organic acids were extracted grew from the 2860 degrees C hot melt, saturated with CO/CO2 and H2O, thereby incorporating small amounts of the gaseous components to form a solid solution (ss) with MgO. Upon cooling, the ss becomes supersaturated, causing solute carbon and other solute species to segregate not only to the surface but also internally, to dislocations and subgrain boundaries. The organic acids extracted from the MgO crystals after crushing appear to derive from these segregated solutes that formed C-C, C-H and C-O bonds along dislocations and other defects in the MgO structure, leading to entities that can generically be described as (HxCyOz)n-. The processes underlying the formation of these precursors are fundamental in nature and expected to be operational in any minerals, preferentially those with dense structures, that crystallized in H2O-CO2-laden environments. This opens the possibility that common magmatic and metamorphic rocks when weathering at the surface of a tectonically active planet like Earth may be an important source of abiogenically formed complex organic compounds.

NASA Discipline Exobiology↗
NASA NTRS2006

Line Mixing in Water Vapor and Methane

A multispectrum fitting algorithm has been used to identify line mixing and determine mixing parameters for infrared transitions of H2O and CH4 in the 5-9 micrometer region. Line mixing parameters at room temperature were determined for two pairs of transitions in the v2 fundamental band of H2O-16, for self-broadening and for broadening by H2, He, CO2, N2, O2 and air. Line mixing parameters have been determined from air-broadened CH4 spectra, recorded at temperatures between 210 K and 314 K, in selected R-branch manifolds of the v4 band. For both H2O and CH4, the inclusion of line mixing was seen to have a greater effect on the retrieved values of the line shifts than on the retrieved values of other parameters

Smith, M. A. H.↗
NASA NTRS2007

Effects of the 2004 El Nino on Tropospheric Ozone and Water Vapor

The global effects of the 2004 El Nino on tropospheric ozone and H2O based on Aura OM1 and MLS measurements are analyzed. Although it was a weak El Nino from a historical perspective, it produced significant changes in these parameters in tropical latitudes. Tropospheric ozone increased by 10-20% over most of the western Pacific region and decreased by about the same amount over the eastern Pacific region. H2O in the upper troposphere showed similar changes but with opposite sign. These zonal changes in tropospheric ozone and H2O are caused by the eastward shift in the Walker circulation in the tropical pacific region during El Nino. For the 2004 El Nino, biomass burning did not have a significant effect on the ozone budget in the troposphere unlike the 1997 El Nino. Zonally averaged tropospheric column ozone did not change significantly either globally or over the tropical and subtropical latitudes.

Chandra, S.↗
NASA NTRS2007

Design and Performance of the Sorbent-Based Atmosphere Revitalization System for Orion

Validation and simulations of a real-time dynamic cabin model were conducted on the sorbent-based atmosphere revitalization system for Orion. The dynamic cabin model, which updates the concentration of H2O and CO2 every second during the simulation, was able to predict the steady state model values for H2O and CO2 for long periods of steady metabolic production for a 4-person crew. It also showed similar trends for the exercise periods, where there were quick changes in production rates. Once validated, the cabin model was used to determine the effects of feed flow rate, cabin volume and column volume. A higher feed flow rate reduced the cabin concentrations only slightly over the base case, a larger cabin volume was able to reduce the cabin concentrations even further, and the lower column volume led to much higher cabin concentrations. Finally, the cabin model was used to determine the effect of the amount of silica gel in the column. As the amount increased, the cabin concentration of H2O decreased, but the cabin concentration of CO2 increased.

Ritter, James A.↗
NASA NTRS2010

Testing and Results of Human Metabolic Simulation Utilizing Ultrasonic Nebulizer Technology for Water Vapor Generation

Life support technology must be evaluated thoroughly before ever being implemented into a functioning design. A major concern during that evaluation is safety. The ability to mimic human metabolic loads allows test engineers to evaluate the effectiveness of new technologies without risking injury to any actual humans. The main function of most life support technologies is the removal of carbon dioxide (CO2) and water (H2O) vapor. As such any good human metabolic simulator (HMS) will mimic the human body s ability to produce these items. Introducing CO2 into a test chamber is a very straightforward process with few unknowns so the focus of this particular new HMS design was on the much more complicated process of introducing known quantities of H2O vapor on command. Past iterations of the HMS have utilized steam which is very hard to keep in vapor phase while transporting and injecting into a test chamber. Also steam adds large quantities of heat to any test chamber, well beyond what an actual human does. For the new HMS an alternative approach to water vapor generation was designed utilizing ultrasonic nebulizers as a method for creating water vapor. Ultrasonic technology allows water to be vibrated into extremely tiny pieces (2-5 microns) and evaporate without requiring additional heating. Doing this process inside the test chamber itself allows H2O vapor generation without the unwanted heat and the challenging process of transporting water vapor. This paper presents the design details as well as results of all initial and final acceptance system testing. Testing of the system was performed at a range of known human metabolic rates in both sea-level and reduced pressure environments. This multitude of test points fully defines the systems capabilities as they relate to actual environmental systems testing.

Stubbe, Matthew↗
NASA NTRS2011

Advanced CO2 Removal and Reduction System

An advanced system for removing CO2 and H2O from cabin air, reducing the CO2, and returning the resulting O2 to the air is less massive than is a prior system that includes two assemblies . one for removal and one for reduction. Also, in this system, unlike in the prior system, there is no need to compress and temporarily store CO2. In this present system, removal and reduction take place within a single assembly, wherein removal is effected by use of an alkali sorbent and reduction is effected using a supply of H2 and Ru catalyst, by means of the Sabatier reaction, which is CO2 + 4H2 CH4 + O2. The assembly contains two fixed-bed reactors operating in alternation: At first, air is blown through the first bed, which absorbs CO2 and H2O. Once the first bed is saturated with CO2 and H2O, the flow of air is diverted through the second bed and the first bed is regenerated by supplying it with H2 for the Sabatier reaction. Initially, the H2 is heated to provide heat for the regeneration reaction, which is endothermic. In the later stages of regeneration, the Sabatier reaction, which is exothermic, supplies the heat for regeneration.

Alptekin, Gokhan↗
NASA NTRS2012

Laboratory Studies of Solid Carbon Dioxide in Planetary and Interstellar Ices

Laboratory spectra have shown that CO2. is a powerful diagnostic tool for analyzing infrared data from remote observations, as it has been detected on icy moons in the outer solar system as well as dust grain surfaces in the interstellar medium. IR absorption profiles of CO2 wi thin ice mixtures containing H2O and CH30H change with respect to tem perature and mixture ratios. In this particular study, the CO2 stretch mode around 235O cm (exp -1) (4.3 rricrons) is systematically observ ed in different mixtures with H2O and CH30H in temperature ranges from 15K to 150 K, as well as vibrational modes in the near-IR such as th e combination bands near 3700 cm (exp -1) (2.7 microns) and 5080 (exp -1) (2.0 microns). Additionally, some high?temperature deposits (T > 50 K) of H2O, CH30H, and CO2 ice mixtures were performed to determine the maximum temperatures at which CO2 will deposit on the sample win dow. These data may then be used to interpret spectra obtained from remote IR observations. This research was sponsored by Oak Ridge Associ ated Universities (ORAU) through the NASA Postdoctoral Program (NPP) as well as Ames Research Center and the SETI institute who provided fa cilities and equipment.

White, Douglas↗
NASA NTRS2012

Organic Combustion in the Presence of Ca-Carbonate and Mg-Perchlorate: A Possible Source for the Low Temperature CO2 Release Seen in Mars Phoenix Thermal and Evolved Gas Analyzer Data

Two of the most important discoveries of the Phoenix Lander were the detection of approx.0.6% perchlorate [1] and 3-5% carbonate [2] in landing site soils. The Thermal and Evolved Gas Analyzer (TEGA) instrument on the Phoenix lander could heat samples up to approx.1000 C and monitor evolved gases with a mass spectrometer. TEGA detected a low (approx.350 C) and high (approx.750 C) temperature CO2 release. The high temp release was attributed to the thermal decomposition of Ca-carbonate (calcite). The low temperature CO2 release could be due to desorption of CO2, decomposition of a different carbonate mineral, or the combustion of organic material. A new hypothesis has also been proposed that the low temperature CO2 release could be due to the early breakdown of calcite in the presence of the decomposition products of certain perchlorate salts [3]. We have investigated whether or not this new hypothesis is also compatible with organic combustion. Magnesium perchlorate is stable as Mg(ClO4)2-6H2O on the martian surface [4]. During thermal decomposition, this perchlorate salt releases H2O, Cl2, and O2 gases. The Cl2 can react with water to form HCl which then reacts with calcite, releasing CO2 below the standard thermal decomposition temperature of calcite. However, when using concentrations of perchlorate and calcite similar to what was detected by Phoenix, the ratio of high:low temperature CO2 evolved is much larger in the lab, indicating that although this process might contribute to the low temp CO2 release, it cannot account for all of it. While H2O and Cl2 cause calcite decomposition, the O2 evolved during perchlorate decomposition can lead to the combustion of any reduced carbon present in the sample [5]. We investigate the possible contribution of organic molecules to the low temperature CO2 release seen on Mars.

Archer, Douglas↗
NASA NTRS2011

The Molecular Composition of Comet C/2007 W1 (Boattini): Evidence of a Peculiar Outgassing and a Rich Chemistry

We measured the chemical composition of Comet C/2007 W1 (Boattini) using the long-slit echelle grating spectrograph at Keck-2 (NIRSPEC) on 2008 July 9 and 10. We sampled 11 volatile species (H2O, OH*, C2H6, CH3OH, H2CO, CH4, HCN, C2H2, NH3, NH2, and CO), and retrieved three important cosmogonic indicators: the ortho-para ratios of H2O and CH4, and an upper-limit for the D/H ratio in water. The abundance ratios of almost all trace volatiles (relative to water) are among the highest ever observed in a comet. The comet also revealed a complex outgassing pattern, with some volatiles (the polar species H2O and CH3OH) presenting very asymmetric spatial profiles (extended in the anti-sunward hemisphere), while others (e.g., C2H6 and HCN) showed particularly symmetric profiles. We present emission profiles measured along the Sun-comet line for all observed volatiles, and discuss different production scenarios needed to explain them. We interpret the emission profiles in terms of release from two distinct moieties of ice, the first being clumps of mixed ice and dust released from the nucleus into the sunward hemisphere. The second moiety considered is very small grains of nearly pure polar ice (water and methanol, without dark material or apolar volatiles). Such grains would sublimate only very slowly, and could be swept into the anti-sunward hemisphere by radiation pressure and solar-actuated non-gravitational jet forces, thus providing an extended source in the anti-sunward hemisphere.

Villanueva, G. L.↗
NASA NTRS2011

The Role of Water in the Stability of Cratonic Keels

Cratons are typically underlain by large, deep, and old lithospheric keels (to greater than 200 km depth, greater than 2.5 Ga old) projecting into the asthenosphere (e.g., Jordan, 1978; Richardson et al., 1984). This has mystified Earth scientists as the dynamic and relatively hot asthenosphere should have eroded away these keels over time (e.g., Sleep, 2003; O'Neill et al., 2008; Karato, 2010). Three key factors have been invoked to explain cratonic root survival: 1) Low density makes the cratonic mantle buoyant (e.g., Poudjom Djomani et al., 2001). 2) Low temperatures (e.g., Pollack, 1986; Boyd, 1987), and 3) low water contents (e.g., Pollack, 1986), would make cratonic roots mechanically strong. Here we address the mechanism of the longevity of continental mantle lithosphere by focusing on the water parameter. Although nominally anhydrous , olivine, pyroxene and garnet can accommodate trace amounts of water in the form of H bonded to structural O in mineral defects (e.g., Bell and Rossman, 1992). Olivine softens by orders of magnitude if water (1-1000 ppm H2O) is added to its structure (e.g., Mackwell et al., 1985). Our recent work has placed constraints on the distribution of water measured in peridotite minerals in the cratonic root beneath the Kaapvaal in southern Africa (Peslier et al., 2010). At P greater than 5 GPa, the water contents of pyroxene remain relatively constant while those of olivine systematically decrease from 50 to less than 10 ppm H2O at 6.4 GPa. We hypothesized that at P greater than 6.4 GPa, i.e. at the bottom of the cratonic lithosphere, olivines are essentially dry (greater than 10 ppm H2O). As olivine likely controls the rheology of the mantle, we calculated that the dry olivines could be responsible for a contrast in viscosity between cratonic lithosphere and surrounding asthenosphere large enough to explain the resistance of cratonic root to asthenospheric delamination.

Peslier, Anne H.↗
NASA NTRS2012

Thermal Reactions of H2O2 on Icy Satellites and Small Bodies: Descent with Modification?

Magnetospheric radiation drives surface and near-surface chemistry on Europa, but below a few meters Europa's chemistry is hidden from direct observation . As an example, surface radiation chemistry converts H2O and SO2 into H2O2 and (SO4)(sup 2-), respectively, and these species will be transported downward for possible thermally-driven reactions. However, while the infrared spectra and radiation chemistry of H2O2-containing ices are well documented, this molecule's thermally-induced solid-phase chemistry has seldom been studied. Here we report new results on thermal reactions in H2O + H2O2 + SO2 ices at 50 - 130 K. As an example of our results, we find that warming H2O + H2O2 + SO2 ices promotes SO2 oxidation to (SO4)(sup 2-). These results have implications for the survival of H2O2 as it descends, with modification, towards a subsurface ocean on Europa. We suspect that such redox chemistry may explain some of the observations related to the presence and distribution of H2O2 across Europa's surface as well as the lack of H2O2 on Ganymede and Callisto.

Hudson, Reggie L.↗
NASA NTRS2012

Near-Infrared Band Strengths of Molecules Diluted in N2 and H20 Ice Mixtures Relevant to Interstellar and Planetary Ices

In order to determine the column density of a component of an ice from its infrared absorption features, the strengths of these features must be known. The peak positions, widths, profiles, and strengths of a certain ice component's infrared absorption features are affected be the overall composition of the ice. Many satellites within the solar system have surfaces that are dominated by H2O or N2 and ices in the interstellar medium (ISM) are primarily composed of H2O. The experiments presented here focus on the near-infrared absorption features of CO, CO2, CH4, and NH3 (nu=10,000-4,000/cm, lambda=1-2.5 microns) and the effects of diluting these molecules in N2 or H2O ice (mixture ratio of 5:1). This is a continuation of previous results published by our research group.

Richey, C. R.↗
NASA NTRS2012

Photochemistry of Pyrimidine in Astrophysical Ices: Formation of Nucleobases and Other Prebiotic Species

Nucleobases are N-heterocycles that are the informational subunits of DNA and RNA. They are divided into two molecular groups: pyrimidine bases (uracil, cytosine, and thymine) and purine bases (adenine and guanine). Nucleobases have been detected in meteorites, and their extraterrestrial origin confirmed by isotopic measurements. Although no N-heterocycles have ever been observed in the ISM, the positions of the 6.2- m interstellar emission features suggest a population of such molecules is likely to be present. However, laboratory experiments have shown that the ultraviolet (UV) irradiation of pyrimidine in ices of astrophysical relevance such as H2O, NH3, CH3OH, CH4, CO, or combinations of these at low temperature (less than or equal to 20 K) leads to the formation of several pyrimidine derivatives including the nucleobases uracil and cytosine, as well as precursors such as 4(3H)-pyrimidone and 4-aminopyrimidine. Quantum calculations on the formation of 4(3H)-pyrimidone and uracil from the irradiation of pyrimidine in pure H2O ices are in agreement with their experimental formation pathways.10 In those residues, other species of prebiotic interest such as urea as well as the amino acids glycine and alanine could also be identified. However, only very small amounts of pyrimidine derivatives containing CH3 groups could be detected, suggesting that the addition of methyl groups to pyrimidine is not an efficient process. For this reason, the nucleobase thymine was not observed in any of the samples. In this work, we study the formation of nucleobases and other photo-products of prebiotic interest from the UV irradiation of pyrimidine in ices containing H2O, NH3, CH3OH, and CO, mixed in astrophysical proportions.

Nuevo, Michel↗