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At least 55 records · Page 3

Chemistry of a polluted cloudy boundary layer

A one-dimensional photochemical model for cloud-topped boundary layers has been developed to include descriptions of gas- and aqueous-phase chemistry and the radiation field in and below the cloud. The model is applied to the accumulation of pollutants during a wintertime episode with low stratus over Bakersfield, CA. The mechanisms of sulfate production and the balance between the concentrations of acids and bases are examined. It is shown that most of the sulfate production may be explained by the Fe(III)-catalyzed autoxidation of S(IV). Another source of sulfate is the oxidation of SO2 by OH in both the gas and the aqueous phase. It is shown that the sulfate production in the model is controlled by the availability of NH3. It is suggested that this explains the balance observed between total concentration of acids and bases.

Jacob, Daniel J.↗

Synthesis and analysis in studies of chemical evolution

Studies of the various processes that may have given rise to life on the Earth have demonstrated the appropriateness of an approach that makes use of analysis and synthesis. Analysis of extraterrestrial samples in the form of meteorites has demonstrated the presence of several precursors of biomolecules, most notably a full suite of nucleic acid bases and nucleotides of biological significance. These species were determined after exhaustive extraction of the sample and subsequent analysis using HPLC, GC, MS, and GC-MS. Procedural blanks indicate that these molecules are likely not the result of contamination during the extraction and analysis process. Similar species were found as products of spark discharge experiments in atmospheres thought to mimic primitive Earth conditions. These results indicate that the basic chemistry underlying these syntheses is common, and that life may not be unique to the Earth. Studies underway in the laboratory make use of proton nuclear magnetic resonance spectroscopy as a probe to assess associations between selected amino acids and any of several nucleotides comprising their genetic code and genetic anticode sequences. These studies demonstrate a clear selectivity by the anticode sequences, thus confirming the hydrophobicity studies performed by Lacey et al. These studies further support the contention that life is likely a natural result of the physics and chemistry of the universe.

Ponnamperuma, C.↗

Impact of stratospheric aircraft emissions on ozone: A two dimensional model study

Atmospheric perturbations caused by the emission of nitrogen oxides from a projected fleet of stratospheric aircraft are studied with a two dimensional chemistry, transport model. Photochemistry of the lower stratosphere, the region where these aircraft may fly, is now known to be influenced by heterogeneous reactions involving sulfuric acid aerosols. This study examines the sensitivity of the atmospheric effects of aircraft to heterogeneous reactions. Information of background aerosols based on the SAGE 2 measurements have been used in the parameterization of the heterogeneous conversion rates. It is found that heterogeneous reactions make the lower stratospheric ozone less sensitive to perturbations in the odd nitrogen level. The calculated reduction in global ozone due to NO(x) injection from a fleet of Mach 2.4 aircraft is 1.28 percent if gas phase reactions only are considered in the model, and 0.06 percent if heterogeneous reactions are included.

Natarajan, M.↗

The Prebiotic Synthesis of Ethylenediamine Monoacetic Acid, The Repeating Unit of Peptide Nucleic Acids

The polymerization of ribonucleic acids or their precursors constitutes an important event in prebiotic chemistry. The various problems using ribonucleotides to make RNA suggest that there may have been a precursor. An attractive possibility are the peptide nucleic acids (PNA). PNAs are nucleotide analogs that make use of a polymer of ethylenediamine monoacetic acid (EDMA or 2-amninoethyl glycine) with the bases attached by an acetic acid. EDMA is an especially attractive alternative to the ribose phosphate or deoxyribose phosphate backbone because it contains no chiral centers and is potentially prebiotic, but there is no reported prebiotic synthesis. We have synthesized both EDMA and ethylenediamine diacetic acid (EDDA) from the prebiotic compounds ethylenediamine, formaldehyde, and hydrogen cyanide. The yields of EDMA range from 11 to 79% along with some sEDDA and uEDDA. These reactions work with concentrations of 10(exp -1)M and as low as 10(exp -4)M, and the reaction is likely to be effective at even lower concentrations. Ethylenediamine is a likely prebiotic compound, but it has not yet been demonstrated, although compounds such as ethanolamine and cysteamine have been proven to be prebiotic. Under neutral pH and heating at l00 C, EDMA is converted to the lactam, monoketopiperazine (MKP). The cyclization occurs and has an approximate ratio of MKP/EDMA = 3 at equilibrium. We have measured the solubilities of EDMA center dot H20 as 6.4 m, EDMA center dot HCl center dot H20 as 13.7 m, and EDMA center dot 2HCl center dot H20 as 3.4 m. These syntheses together with the high solubility of EDMA suggest that EDMA would concentrate in drying lagoons and might efficiently form polymers. Given the instability of ribose and the poor polymerizability of nucleotides, the prebiotic presence of EDMA and the possibility of its polymerization raises the possibility that PNAs are the progenitors of present day nucleic acids. A pre-RNA world may have existed in which PNAs or polymers with related peptide backbones were the dominant information macromolecules.

Nelson, Kevin E.↗

Global and Regional Impacts of HONO on the Chemical Composition of Clouds and Aerosols

Recently, realistic simulation of nitrous acid (HONO) based on the HONO / NOx ratio of 0.02 was found to have a significant impact on the global budgets of HOx (OH + HO2) and gas phase oxidation products in polluted regions, especially in winter when other photolytic sources are of minor importance. It has been reported that chemistry-transport models underestimate sulphate concentrations, mostly during winter. Here we show that simulating realistic HONO levels can significantly enhance aerosol sulphate (S(VI)) due to the increased formation of H2SO4. Even though in-cloud aqueous phase oxidation of dissolved SO2 (S(IV)) is the main source of S(VI), it appears that HONO related enhancement of H2O2 does not significantly affect sulphate because of the predominantly S(IV) limited conditions, except over eastern Asia. Nitrate is also increased via enhanced gaseous HNO3 formation and N2O5 hydrolysis on aerosol particles. Ammonium nitrate is enhanced in ammonia-rich regions but not under ammonia-limited conditions. Furthermore, particle number concentrations are also higher, accompanied by the transfer from hydrophobic to hydrophilic aerosol modes. This implies a significant impact on the particle lifetime and cloud nucleating properties. The HONO induced enhancements of all species studied are relatively strong in winter though negligible in summer. Simulating realistic HONO levels is found to improve the model measurement agreement of sulphate aerosols, most apparent over the US. Our results underscore the importance of HONO for the atmospheric oxidizing capacity and corroborate the central role of cloud chemical processing in S(IV) formation

Global and regional impacts↗

On-Chip Microfluidic Components for In Situ Analysis, Separation, and Detection of Amino Acids

The Astrobiology Analytical Laboratory at GSFC has identified amino acids in meteorites and returned cometary samples by using liquid chromatography-electrospray ionization time-of-flight mass spectrometry (LCMS). These organic species are key markers for life, having the property of chirality that can be used to distinguish biological from non-biological amino acids. One of the critical components in the benchtop instrument is liquid chromatography (LC) analytical column. The commercial LC analytical column is an over- 250-mm-long and 4.6-mm-diameter stainless steel tube filled with functionized microbeads as stationary phase to separate the molecular species based on their chemistry. Miniaturization of this technique for spaceflight is compelling for future payloads for landed missions targeting astrobiology objectives. A commercial liquid chromatography analytical column consists of an inert cylindrical tube filled with a stationary phase, i.e., microbeads, that has been functionalized with a targeted chemistry. When analyte is sent through the column by a pressurized carrier fluid (typically a methanol/ water mixture), compounds are separated in time due to differences in chemical interactions with the stationary phase. Different species of analyte molecules will interact more strongly with the column chemistry, and will therefore take longer to traverse the column. In this way, the column will separate molecular species based on their chemistry. A lab-on-chip liquid analysis tool was developed. The microfluidic analytical column is capable of chromatographically separating biologically relevant classes of molecules based on their chemistry. For this analytical column, fabrication, low leak rate, and stationary phase incorporation of a serpentine microchannel were demonstrated that mimic the dimensions of a commercial LC column within a 5 10 1 mm chip. The microchannel in the chip has a 75- micrometer-diameter oval-shaped cross section. The serpentine microchannel has four different lengths: 40, 60, 80, and 100 mm. Functionized microbeads were filled inside the microchannel to separate molecular species based on their chemistry.

Zheng, Yun↗

Modeling Atmospheric Science Knowledge from Research Publications

NASA Earth Science Data Centers contain enormous amounts of remote sensing digital data. It is often a significant challenge for users to find data suitable for their research topic in these vast archives. One of the approaches is the usage-driven dataset discovery, where users seek publications on projects similar to their intended study. For this approach to be effective, users need a clear connection between the underlying data in the publications and the study objectives; this is not often apparent to non-expert users. Tools and methodologies that can help facilitate and organize these connections are therefore valuable for creating improved knowledge mappings, which can be further used by search engines to suggest data or publications best tailored to a user’s specific research goal. As an illustration of these challenges, in this work we focus on the atmospheric chemistry processes related to Earth environmental impacts such as ozone depletion, aerosols, smog formation, acid rain, and radiative forcing. We further limit our study to publications that use data from the Microwave Limb Sounder (MLS) instrument flown on the Aura Earth Observing System. To create knowledge representations of science carried out in these publications, we use existing ontologies such as the Global Change Master Directory (GCMD) and Semantic Web for Earth and Environmental Terminology (SWEET). These ontologies together encompass term dictionaries that include measured variables, names of molecules or radicals, mission and instrument names, locations, action words, among many others. Based on these terms acknowledge graph database was populated with the terms retrieved from scientific publications that study atmospheric chemistry. These databases can be used to further enhance the automation of knowledge discovery and facilitate machine learning and artificial intelligence algorithms or applications. These tools and methods can also be extended to apply to content from other related Earth science domains.

Irina Gerasimov↗

Global and Regional Impacts of HONO on the Chemical Composition of Clouds and Aerosols

Recently, realistic simulation of nitrous acid (HONO) based on the HONO/NO(sub x) ratio of 0.02 was found to have a significant impact on the global budgets of HO(sub x) (OH + HO2) and gas phase oxidation products in polluted regions, especially in winter when other photolytic sources are of minor importance. It has been reported that chemistry-transport models underestimate sulphate concentrations, mostly during winter. Here we show that simulating realistic HONO levels can significantly enhance aerosol sulphate (S(VI)) due to the increased formation of H2SO4. Even though in-cloud aqueous phase oxidation of dissolved SO2 (S(IV)) is the main source of S(VI), it appears that HONO related enhancement of H2O2 does not significantly affect sulphate because of the predominantly S(IV) limited conditions, except over eastern Asia. Nitrate is also increased via enhanced gaseous HNO3 formation and N2O5 hydrolysis on aerosol particles. Ammonium nitrate is enhanced in ammonia-rich regions but not under ammonia-limited conditions. Furthermore, particle number concentrations are also higher, accompanied by the transfer from hydrophobic to hydrophilic aerosol modes. This implies a significant impact on the particle lifetime and cloud nucleating properties. The HONO induced enhancements of all species studied are relatively strong in winter though negligible in summer. Simulating realistic HONO levels is found to improve the model measurement agreement of sulphate aerosols, most apparent over the US. Our results underscore the importance of HONO for the atmospheric oxidizing capacity and corroborate the central role of cloud chemical processing in S(IV) formation.

HONO↗

Paleosols and the chemical evolution of the atmosphere

The chemistry and mineralogy of soils reflects the chemistry of the atmosphere below which they develop. Today the presence of a cover of land plants can obscure the signature of a highly oxidizing atmosphere. Prior to the advent of higher land plants ca. 400 m.y. ago the obscuring effect of a biological interface should have been minor. It can be shown that under such conditions the behavior of ferrous iron during weathering depends on the relationship between the ratio of the net concentration of oxidants to the concentration of acids in rainwater, and on the ratio of the oxygen demand to the acid demand for complete weathering of the parent rock. An analysis of the behavior of iron in some 15 paleosols between 1.0 and 2.9 b.y. in age showed some time ago that iron was retained, or largely retained, in paleosols developed on rocks with a low ratio of oxidant demand to acid demand (R value) and was lost from paleosols with a high R value. The results indicate that between 1.1 and 2.9 b.y.b.p. the ratio of the net concentration of oxidants to CO2 in rainwater was less than ca. 1/600 of the present-day value. Work during the past year has sought to extend the data base for paleosols and to define more precisely the relationships between the composition of paleosols and the chemistry of the atmosphere below which they developed.

Holland, H. D.↗

Crystal structure of four-stranded Oxytricha telomeric DNA

The sequence d(GGGGTTTTGGGG) from the 3' overhang of the Oxytricha telomere has been crystallized and its three-dimensional structure solved to 2.5 A resolution. The oligonucleotide forms hairpins, two of which join to make a four-stranded helical structure with the loops containing four thymine residues at either end. The guanine residues are held together by cyclic hydrogen bonding and an ion is located in the centre. The four guanine residues in each segment have a glycosyl conformation that alternates between anti and syn. There are two four-stranded molecules in the asymmetric unit showing that the structure has some intrinsic flexibility.

NASA Discipline Exobiology↗

Sulfur and Hydrogen Isotope Anomalies in Organic Compounds from the Murchison Meteorite

Isotopic measurements have been made on organic sulfur and phosphorus compounds recently discovered in the Murchison meteorite. Carbon, hydrogen and sulfur measurements were performed on individual members of the organic sulfur compounds, alkyl sulfonates; and carbon and hydrogen measurements were made on bulk alkyl phosphonates. Cooper and Chang reported the first carbon isotopic measurements of Murchison organic sulfonates, providing insight into the potential synthetic mechanisms of these and, possibly, other organic species. Hydrogen isotopic measurements of the sulforiates now reveal deuterium excesses ranging from +660 to +2730 %. The deuterium enrichments indicate formation of the hydrocarbon portion of these compounds in a low temperature astrophysical environment consistent with that of dense molecular clouds. Measurements of the sulfur isotopes provide further constraints on the origin and mechanism of formation of these organic molecules. Recently, there has been growing documentation of sulfur isotopic anomalies in meteoritic material. Thiemens and Jackson have shown that some bulk ureilites possess excess S-33 and Thiemens et al. have reported excess S-33 in an oldhamite separate from the Norton County meteorite. Rees and Thode reported a large S-33 excess in an Allende acid residue, however, attempts to verify this measurements have been unsuccessful, possibly due to the heterogeneous nature of the carrier phase. With the recognition that sulfur isotopes may reflect chemistry in the protosolar nebula or the precursor molecular cloud, identification of potential carriers is of considerable interest. In the present study, the stable isotopes of sulfur were measured in methane sulfonic acid extracted from the Murchison meteorite. The isotopic composition was found to be: (delta)S-33 = 2.48 %, (delta)S-34 = 2.49 % and (delta)S-36 = 6.76 %. Based upon analysis of more than 60 meteoritic and numerous terrestrial samples, the mass fractionation lines are defined by Delta-33 = (delta)S-33 -0.50(delta)S-34 and Delta-36 = (delta)s-36 - 1.97 (delta)S-34. From these relationships Delta-33 = 1.24 % and Delta-36 = 0.89 % are observed. These anomalies, particularly the Delta-33, lie well outside the range of analytical uncertainty. They are the largest observed in any meteoritic component and the first found in an organosulfur compound. As discussed by Thiemens and Jackson, due to it's position on the periodic chart, sulfur undergoes chemically induced mass independent isotopic fractionations as does oxygen. Experiments by Mauersberger et. al. show that in such processes, the magnitude of fractionation for the different isotopically substituted species varies with mass and angular momentum; thus, anomalies are expected for both S-33 and S-36, but not necessarily of the same magnitude. Laboratory experiments have also confirmed that chemically produced, mass independent fractionations are mediated by molecular symmetry factors. A chemical source of fractionation requires that the sulfur isotopic anomaly was established in the gas phase, probably in reactions involving symmetric CS2. The discovery of an anomalous sulfur isotopic composition in a specific molecule containing excess deuterium is an important advance in the understanding of the cosmochemistry of sulfur. This evidence suggests that methanesulfonic acid was synthesized by interstellar processes. Further measurements and details of possible synthesis and fractionation mechanisms will be presented.

Cooper, G. W.↗

Micro-Detection System for Determination of the Biotic or Abiotic Origin of Amino Acids

The research involved the development of a breadboard version of a spacecraft based system for the detection of amino acid chirality (handedness) on solar system bodies. The design concept has three distinct components: a sublimation chamber for the release of amino acids from an acquired sample; a microchip based capillary electrophoresis (CE) chip for the separation of amino acids and their enantiomers; and a fluorescent based detection system. In addition, we have investigated the use of a microfluidics system for the extraction of amino acids in samples in which sublimation has proven to be problematic. This is a joint project carried out at the Scripps Institution of Oceanography (SIO), University of California at San Diego; the Jet Propulsion Laboratory (JPL), Pasadena; and the Department of Chemistry, University of California, Berkeley.

Bada, Jeffrey L.↗

Film properties of high performance semi-interpenetrating polyimide networks

Consideration is given to an approach to provide a semi-IPN in which two constituent materials have nearly the same chemical structure and polymer chain length. A reactive endcapped LARC-TPI polyamic acid having a formulated molecular weight of 20,000 is prepared and then combined with various quantities of a commercial LARC-TPI polyamic acid solution. The polyimide films of semi-IPNs are tested along with two constituent materials. The physical and mechanical properties of the polyimide films are presented. The applicability of using this approach to minimize phase separation and to maximize long-term phase stability is discussed. The concept of controlling morphology by chemistry is proven for providing LARC-TPI based semi-2-IPNs. A very long chain LARC-TPI endcapped with a nadic group exhibits physical properties almost identical to unendcapped LARC-TPI.

Gerber, M. K.↗

High Upward Fluxes of Formic Acid from a Boreal Forest Canopy

Eddy covariance fluxes of formic acid, HCOOH, were measured over a boreal forest canopy in spring/summer 2014. The HCOOH fluxes were bidirectional but mostly upward during daytime, in contrast to studies elsewhere that reported mostly downward fluxes. Downward flux episodes were explained well by modeled dry deposition rates. The sum of net observed flux and modeled dry deposition yields an upward gross flux of HCOOH, which could not be quantitatively explained by literature estimates of direct vegetative soil emissions nor by efficient chemical production from other volatile organic compounds, suggesting missing or greatly underestimated HCOOH sources in the boreal ecosystem. We implemented a vegetative HCOOH source into the GEOS-Chem chemical transport model to match our derived gross flux and evaluated the updated model against airborne and spaceborne observations. Model biases in the boundary layer were substantially reduced based on this revised treatment, but biases in the free troposphere remain unexplained.

forest↗

Interstellar Communication Channel Based on a Biological Universal

Cellular biosynthesis starts with sugar substrates and continues energetically downhill to yield amino acid, rapid, and nucleotide products. To understand the energetics of these processes, we calculated the energy for biosynthesis from sugars of E. cali's amino acids, nucleotides, and lipids. We found that the biosynthesis of amino acids and lipids from sugar substrates proceeds by redox disproportionation. of sugar carbon with a favorable energy of about -11 kcal/mole of carbon. Overall, redox disproportion of sugar carbon accounted for 84% and 96% (ATP only 6% and 1%) of the total biosynthetic energy of amino acids and lipids (the major cellular constituents). Next, we calculated for all 48 possible 3-carbon substrates the energy of maximal disproportionation to carbon dioxide and methane. We found no other carbon substrates than matched sugars in biosynthetic energy, efficiency, and simplicity. From this, we concluded that sugars are the optimal biosynthetic substrate. Since this conclusion is based on universal properties of carbon chemistry, other carbon-based life throughout the Universe would also use optimal sugar substrates. Furthermore, this rather obvious universal role of sugars as the optimal biosubstrate would probably be common knowledge of technological civilizations throughout the Universe. Since the elemental building block of all sugars is formaldehyde, the common knowledge that sugars are the universal optimal biosubstrate could reasonably lead to the selection of a line(s) in the microwave spectrum of formaldehyde as a frequency for interstellar communication.

Weber, Arthur L.↗

Advances in analytical chemistry

Implementation of computer programs based on multivariate statistical algorithms makes possible obtaining reliable information from long data vectors that contain large amounts of extraneous information, for example, noise and/or analytes that we do not wish to control. Three examples are described. Each of these applications requires the use of techniques characteristic of modern analytical chemistry. The first example, using a quantitative or analytical model, describes the determination of the acid dissociation constant for 2,2'-pyridyl thiophene using archived data. The second example describes an investigation to determine the active biocidal species of iodine in aqueous solutions. The third example is taken from a research program directed toward advanced fiber-optic chemical sensors. The second and third examples require heuristic or empirical models.

Arendale, W. F.↗

Space Rated High Voltage Plasma Generating Supply

The use of plasma for in-situ resource utilization (ISRU) applications (such as water treatment, acid production, plant seed activation, biofilm sanitization, or waste gasification) is an active area of research at the KSC Applied Chemistry Lab (ACL). The generation of plasma for experimentation has thus far been done with lab-rated power supplies which are unsuitable for space applications, and no suitable supply is readily available for purchase. This project tackled the development of a low TRL prototype 500 W power supply intended for generating plasma in space. The design was based on similar power electronic circuits used for electric propulsion systems and was adapted for use in ISRU applications. This technology will enable KSC’s plasma-based ISRU related technologies to be demonstrated in the space environment.

Nathaniel Cain↗

Nonenzymatic oligomerization reactions on templates containing inosinic acid or diaminopurine nucleotide residues

The template-directed oligomerization of nucleoside-5'-phosphoro-2-methyl imidazolides on standard oligonucleotide templates has been studied extensively. Here, we describe experiments with templates in which inosinic acid (I) is substituted for guanylic acid, or 2,6-diaminopurine nucleotide (D) for adenylic acid. We find that the substitution of I for G in a template is strongly inhibitory and prevents any incorporation of C into internal positions in the oligomeric products of the reaction. The substitution of D for A, on the contrary, leads to increased incorporation of U into the products. We found no evidence for the template-directed facilitation of oligomerization of A or I through A-I base pairing. The significance of these results for prebiotic chemistry is discussed.

NASA Discipline Exobiology↗