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NASA NTRS2018

The Nature of Interstellar Organics and Their Relationship to the Solar System

Carbonaceous materials are a primary compo-nent of interstellar dust, forming in the outflow of carbon stars and the diffuse interstellar me-dium (DISM). Over time, the low density DISM is swept into dense molecular clouds, the principal formation sites and repositories of most interstellar molecules. Organic com-pounds created in these clouds are the first step towards the complex materials that help to make planets habitable. Ground- and space-based telescopic observations trace interstellar organics from the diffuse to dense interstellar clouds, revealing that organic material in the diffuse ISM is predominantly hydrocarbon in nature, possessing little N or O, with the C distributed between the aromatic and aliphatic forms. A remarkable similarity between the hydrocarbons in dust in our Galaxy to that of distant galaxies, indicates that this organic component of the DISM is widespread and may be an important universal reservoir of prebiotic organic carbon. Spectroscopy of background stars seen through quiescent dust in clouds with no star formation activity re-veals that chemistry occurs early-on. Mean-while, observations of certain asteroids, com-ets, interplanetary dust particles, planets and planetary satellites present an intricate inter-weaving of preserved interstellar components and those that have been subsequently altered. The composition ofinterstellar dust grains and the evolution of dust between dense clouds (where stars and planetary systems form) and the diffuse inter-stellar medium (where stardust components are ejected), will be presented in this workshop on Carbon in the Solar System.

Intersteller Organics↗
NASA NTRS1992

On the nature of global classification

Molecular sequencing technology has brought biology into the era of global (universal) classification. Methodologically and philosophically, global classification differs significantly from traditional, local classification. The need for uniformity requires that higher level taxa be defined on the molecular level in terms of universally homologous functions. A global classification should reflect both principal dimensions of the evolutionary process: genealogical relationship and quality and extent of divergence within a group. The ultimate purpose of a global classification is not simply information storage and retrieval; such a system should also function as an heuristic representation of the evolutionary paradigm that exerts a directing influence on the course of biology. The global system envisioned allows paraphyletic taxa. To retain maximal phylogenetic information in these cases, minor notational amendments in existing taxonomic conventions should be adopted.

NASA Program Exobiology↗
NASA NTRS2016

A Fly-Through Mission Strategy Targeting Peptide as a Signature of Chemical Evolution and Possible Life in Enceladus Plumes

In situ detection of organic molecules in the extraterrestrial environment provides a key step towards better understanding the variety and the distribution of building blocks of life and it may ultimately lead to finding extraterrestrial life within the Solar System. Here we present combined results of two separate experiments that enable us to realize such in situ life signature detection from the deep habitats of the "Ocean World": a hydrothermal reactor experiment simulating complex organic synthesis and a simulated fly-through capture experiment of organic-bearing microparticles using silica aerogels, followed by subsequent analysis. Both experiments employ peptide as a plausible organics existing in Encleadus plume particles produced in its subsurface ocean. Recent laboratory hydrothermal experiments and a theoretical model on silica saturation indicated an on going hydrothermal reactions in subsurface Enceladus ocean. Given the porous chondritic origin of the core, it is likely that organic compounds originated by radiation chemistry such as amino acid precursors could have been provided, leached, and altered through widespread water-rock interactions. By using the same laboratory experimental setup from the latest water-rock interaction study, we performed amino acid polymerization experiments for 144 days and monitored the organic complexity changing over time. So far over 3,000 peaks up to the size of greater than 600 MW were observed through the analysis of capillary electrophoresis time-of-flight mass spectrometry (CE-TOF-MS) with an indication of amino acid derivatives and short peptides. Generally abiotic polymerization of enantiomeric amino acids results in forming stereoisomeric peptides with identical molecular weight and formula as opposed to homochiral biopolymers. Assuming Enceladus plume particles may contain a mixture of stereoisomeric peptides, we were able to distinguish 16 of the 17 stereoisomeric tripeptides as a test sample using capillary electrophoresis (CE) under optimized conditions. We further conducted Enceladus plume fly-through capture experiment by accelerating peptides soaked in rock particles up to a speed of 5.7 km/s and capturing with originally developed hydrophobic silica aerogels. Direct peptide extraction with acetonitrile-water followed by CE analysis led to detection of only but two stereoisomeric acidic peptide peaks, presenting the first run-through hypervelocuty impact sample analysis targeting peptides as key molecule to to understand the ongoing astrobiology on Enceladus.

organic molecules↗
NASA NTRS1993

Massive low surface brightness galaxies

A multi-wavelength study of an extreme type of galaxy which will assist us in our attempts to understand the formation and evolution of galaxies was completed. In particular, a subset of low surface brightness (bar-mu(sub B) is approximately greater than 25 mag arcsec(sup -2)), giant galaxies (LSBG's) which contain large amounts of atomic gas (M(HI) is approximately greater than 10(exp 10) solar mass), have blue optical diameters similar to those of giant spiral galaxies, but which do not seem to have prodigious amounts of ongoing star formation were observed. Our sample was drawn from the first and second Palomar Sky Surveys. This population of galaxies has been largely ignored because of selection effects which make it difficult to detect optically. The question of how these massive systems differ from the higher surface brightness 'normal' spiral galaxies is addressed. Using B and R surface photometry, in conjunction with H-alpha, HI, CO-12, and far-infrared data, an attempt is made to determine if these galaxies had an early epoch of star formation that has since faded, have ongoing star formation with an unusual interplanetary magnetic field (IMF), or are perhaps galaxies which have never efficiently formed stars due to a lack of molecular clouds.

Knezek, Patricia M.↗
NASA NTRS2010

Synergism of Saturn, Enceladus and Titan and Formation of HCNO Exobiological Molecules

Saturn as a system has two very exotic moons Titan and Enceladus. Titan with energy input from Saturn's magnetosphere, solar UV irradiation, and cosmic rays can make HCN based molecules as discussed in earlier paper by [1]. Space radiation effects at both moons, and as coupled by the Saturn magnetosphere could cause an unexpected series of events leading to the evolution of biological models at Titan composed of HCNO with oxygen as the new ingredient. The "Old Faithful" model by [2] suggests that Enceladus, highly irradiated by Saturn magnetospheric electrons, has episodic ejections of water vapor driven by radiolytic oxidation gas products into Saturn's magnetosphere. At Titan Cassini discovered 1) that keV oxygen ions, evidently from Enceladus, are bombarding Titan's upper atmosphere [3] and 2) the discovery of heavy positive and negative ions within Titan's upper atmosphere [4]. Initial models of heavy ion formation in Titan's upper atmosphere invoked polymerization of aromatics such as Benzenes and their radicals to make PAHs [5], while a more recent model by [6] has raised the possibility of carbon chains forming from the polymerization of acetylene and its radicals to eventually make fullerenes. Laboratory measurements indicate that fullerenes, which are hollow carbon shells, can trap the keV oxygen and with the clustering of fullerenes and possible mixture with PAHs, some with nitrogen molecules, can make the larger aerosols with oxygen within them. Then with further ionizing irradiation from cosmic rays deep in the atmosphere "tholin" molecules are produced with all the molecular components present from which organic molecules can form. Among the molecular components are amino acids, the fundamental building blocks of life as we know it. This process maybe a common chemical pathway, both at the system level and at the molecular level, to form prebiotic and perhaps even biotic molecules. Such processes can be occurring throughout our universe, such as molecular clouds in the ISM.

Sittler, Edward C., Jr.↗
NASA NTRS1991

Macromolecular recognition: Structural aspects of the origin of the genetic system

Theoretical simulation of prebiotic chemical processes is an invaluable tool for probing the phenomenon of evolution of life. Using computational and modeling techniques and guided by analogies from present day systems we, seek to understand the emergence of genetic apparatus, enzymatic catalysis and protein synthesis under prebiotic conditions. In one possible scenario, the RNA enzymatic reaction plays a key role in the emergence of the self-replicating and offers a clue to the onset of enzymatic catalysis prior to the existence of the protein biosynthetic machinery. Our ultimate goal is to propose a simple RNA segment which contains the specificity and catalytic activity of the contemporary RNA enzyme and which could emerge in a primordial chemical environment. To understand the mechanism of ribozyme catalyzed reactions, ab initio and semi-empirical (ZINDO) programs were used to investigate the reaction path of transphosphorylation. A special emphasis was placed on the possible catalytic and structural roles played by the coordinated magnesium cation. Both the inline and adjacent mechanisms of transphosphorylation have been studied. Another important aspect of this reaction is the identity of the functional groups which are essential for the acid base catalysis. The structural characteristics of the target helices, particularly a possible role of G center dot T pair, is under examination by molecular dynamics (MD) simulation technique. Modeling of the ancestral aminoacyl-tRNA synthetases (aRS) may provide important clues to the emergence of the genetic code and the protein synthetic machinery. Assuming that the catalytic function evolved before the elements of specific recognition of a particular amino acid, we are exploring the minimal structural requirements for the catalysis of tRNA aminoacylation. The molecular modeling system SYBYL was used for this study based on the high resolution crystallographic structures of the present day tyrosyl-adenylate:tyrRS and tRNA(Gln): ATP:glnRS complexes. The trinucleotide CCA of the 3'-end tRNA is placed into the active site pocket of tyrRS, based on the scheme of interaction between tRNA(Gln) and glnRS, and upon the stereochemistry of the tyrRS:tRNA:Tyr-AMP transition state. This provides a model of the non-specific recognition of a tRNA's 3'-end by an aRS, which might be similar to that of the ancestral aRS's. In the next step, modeling of the rest of the acceptor stem of tRNA (Tyr) with tyrRS is carried out.

Rein, Robert↗
NASA NTRS2018

Star & Planet Formation Studies and Opportunities with SOFIA

Star formation, the most fundamental process in the universe, is linked to planet formation and thus to the origin and evolution of life. We have a general outline of how planets and stars form, yet unraveling the details of the physics and chemistry continues to challenge us. The infrared and submillimeter part of the spectrum hold the most promise for studying the beginnings of star formation. The observational landscape recently shaped by Spitzer, Herschel and ALMA, continues to challenge our current theories. SOFIA, the Stratospheric Observatory for Infrared Astronomy, equipped with state-of-the-art infrared instrumentation to a vantage point at 45,000 feet (13.7 kilometers) flight altitude that is above 99.9 percent of the Earth's water vapor, enables observations in the infrared through terahertz frequencies not possible from the ground. SOFIA is a community observatory, about to start its sixth annual observing cycle. My talk will focus on recent results in advancing star and planet formation processes using SOFIAʼs imaging and polarimetric capabilities, and the upcoming science enabled by the 3rd generation instrument High-Resolution Mid-Infrared Spectrometer (HIRMES) to be commissioned in 2019. I will show how mid-infrared imaging is used to test massive star formation theories, how far-infrared polarimetry on sub-parsec scales is directly testing the role of magnetic fields in molecular clouds, and how velocity-resolved high-resolution spectroscopy will push forward our understanding of proto-planetary disk science. I will also summarize upcoming opportunities with the SOFIA observatory. For the latest news about your flying observatory, see https://sofia.usra.edu/.

Star formation↗
NASA NTRSDate not supplied

INCREASING THE TRANSPARENCY AND REPRODUCIBILITY OF SPACE RADIATION SCIENCE: THE RADIATION BIOLOGY ONTOLOGY

Among the primary objectives of the Open/Open-Source Science paradigm are making scientific investigation data transparent and results reproducible [1], objectives shared by the FAIR principles [2]. To accomplish this, the conceptual framework that includes all the investigation objects needs to be accurately captured and communicated to all data consumers. A large part of this requires using metadata standards to annotate data collected. These standards should be readily accessible, informed by scientific community consensus and sufficiently specific to encompass all of the important aspects of the investigation. Starting in 2020 we have been co-leading an open consortium to develop a new metadata standard, the Radiation Biology Ontology (RBO), through the Open Biological and Biomedical Ontologies (OBO) Foundry [3]. We began by transforming many of the terms from the National Council on Radiation Protection and Measurement into concepts that can be formally related to existing OBO Foundry classes or attributes. We then identified and imported into the RBO existing OBO Foundry classes that have obvious relevance for radiation biomedicine (for example, concepts from the Environment Ontology that describe radiative processes, and concepts from the Gene Ontology dealing with molecular and cellular responses to radiation). Finally, we scrutinized datasets from investigations of radiation effects held in NASA GeneLab and LSDA repositories and added additional classes, instances, and attributes into the RBO that should be used to annotate these data. We developed the RBO using the open-source tools of GitHub and publish the RBO periodically through the NIH/NCBI BioPortal website, so systems worldwide can leverage the knowledge it contains [4]. This initial phase of concept modeling has yielded an RBO that at present has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies. While this first phase has focused on concepts for annotating samples, environments, exposures, and measurements, the next phase will center on supporting annotation of results and findings, such as concept models of molecular, cellular and tissue effects. The value of the RBO will be determined in part by our ability to engage the community in its development, and we have established a Radiobiology Informatics Consortium with unrestricted membership as the owner of the RBO in order to encourage investigators, system owners and other to join in this effort. Anyone can report issues or request new concept modeling or other features directly on GitHub. By using the BioPortal application programming interface, systems can pose dynamic queries to the latest version of the RBO for information on individual classes or entire hierarchies; this design eliminates the need for systems to be updated in order to use newer versions of the RBO. We hope to contribute to the advancement of open radiobiological science through the continued, open development of the RBO, that will provide more precise, machine-interpretable descriptions of investigations, as well as support data meta-analysis through machine learning or other artificial intelligence methods. REFERENCES [1] Open science in space. Nature Medicine, 2021. 27(9): p. 1485-1485. [2] Wilkinson, M.D., et al., The FAIR Guiding Principles for scientific data management and stewardship. Sci Data, 2016. 3: p. 160018. [3] Smith, B., et al., The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration. Nat Biotechnol, 2007. 25(11): p. 1251-5. [4] Whetzel, P.L., et al., BioPortal: enhanced functionality via new Web services from the National Center for Biomedical Ontology to access and use ontologies in software applications. Nucleic Acids Res, 2011. 39(Web Server issue): p. W541-5.

informatics↗
NASA NTRS1998

Biomarkers as tracers for life on early earth and Mars

Biomarkers in geological samples are products derived from biochemical (natural product) precursors by reductive and oxidative processes (e.g., cholestanes from cholesterol). Generally, lipids, pigments and biomembranes are preserved best over longer geological times and labile compounds such as amino acids, sugars, etc. are useful biomarkers for recent times. Thus, the detailed characterization of biomarker compositions permits the assessment of the major contributing species of extinct and/or extant life. In the case of the early Earth, work has progressed to elucidate molecular structure and carbon isotropic signals preserved in ancient sedimentary rocks. In addition, the combination of bacterial biochemistry with the organic geochemistry of contemporary and ancient hydrothermal ecosystems permits the modeling of the nature, behavior and preservation potential of primitive microbial communities. This approach uses combined molecular and isotopic analyses to characterize lipids produced by cultured bacteria (representative of ancient strains) and to test a variety of culture conditions which affect their biosynthesis. On considering Mars, the biomarkers from lipids and biopolymers would be expected to be preserved best if life flourished there during its early history (3.5-4 x 10(9) yr ago). Both oxidized and reduced products would be expected. This is based on the inferred occurrence of hydrothermal activity during that time with the concomitant preservation of biochemically-derived organic matter. Both known biomarkers (i.e., as elucidated for early terrestrial samples and for primitive terrestrial microbiota) and novel, potentially unknown compounds should be characterized.

Non-NASA Center↗
NASA NTRS1995

Cleavage of an amide bond by a ribozyme

A variant form of a group I ribozyme, optimized by in vitro evolution for its ability to catalyze magnesium-dependent phosphoester transfer reactions involving DNA substrates, also catalyzes the cleavage of an unactivated alkyl amide when that linkage is presented in the context of an oligodeoxynucleotide analog. Substrates containing an amide bond that joins either two DNA oligos, or a DNA oligo and a short peptide, are cleaved in a magnesium-dependent fashion to generate the expected products. The first-order rate constant, kcat, is 0.1 x 10(-5) min-1 to 1 x 10(-5) min-1 for the DNA-flanked substrates, which corresponds to a rate acceleration of more than 10(3) as compared with the uncatalyzed reaction.

NASA Discipline Exobiology↗
NASA NTRS2023

An ALMA Glimpse of Dense Molecular Filaments Associated with High-mass Protostellar Systems in the Large Magellanic Cloud

Recent millimeter/submillimeter facilities have revealed the physical properties of filamentary molecular clouds in relation to high-mass star formation. A uniform survey of the nearest, face-on star-forming galaxy, the Large Magellanic Cloud (LMC), complements the Galactic knowledge. We present ALMA survey data with a spatial resolution of ∼0.1 pc in the 0.87 mm continuum and HCO+ (4–3) emission toward 30 protostellar objects with luminosities of 104–105.5L⊙ in the LMC. The spatial distributions of the HCO+ (4–3) line and thermal dust emission are well correlated, indicating that the line effectively traces dense, filamentary gas with an H2 volume density of ≳105 cm−3 and a line mass of ∼103–104M⊙ pc−1. Furthermore, we obtain an increase in the velocity line widths of filamentary clouds, which follows a power-law dependence on their H2 column densities with an exponent of ∼0.5. This trend is consistent with observations toward filamentary clouds in nearby star-forming regions within ≲1 kpc from us and suggests enhanced internal turbulence within the filaments due to surrounding gas accretion. Among the 30 sources, we find that 14 are associated with hub-filamentary structures, and these complex structures predominantly appear in protostellar luminosities exceeding ∼5 × 104L⊙. The hub-filament systems tend to appear in the latest stages of their natal cloud evolution, often linked to prominent H II regions and numerous stellar clusters. Our preliminary statistics suggest that the massive filaments accompanied by hub-type complex features may be a necessary intermediate product in forming extremely luminous high-mass stellar systems capable of ultimately dispersing the parent cloud.

Marta M Sewilo↗
NASA NTRS2002

Spectroscopic Detection of a Stellar-like Photosphere in an Accreting Protostar

We present high-resolution (R is approximately equal to 18,000), high signal-to-noise 2 micron spectra of two luminous, X-ray flaring Class I protostars in the rho Ophiuchi cloud acquired with the NIRSPEC (near infrared spectrograph) of the Keck II telescope. We present the first spectrum of a highly veiled, strongly accreting protostar which shows photospheric absorption features and demonstrates the stellar nature of its central core. We find the spectrum of the luminous (L (sub bol) = 10 solar luminosity) protostellar source, YLW 15, to be stellar-like with numerous atomic and molecular absorption features, indicative of a K5 IV/V spectral type and a continuum veiling r(sub k) = 3.0. Its derived stellar luminosity (3 stellar luminosity) and stellar radius (3.1 solar radius) are consistent with those of a 0.5 solar mass pre-main-sequence star. However, 70% of its bolometric luminosity is due to mass accretion, whose rate we estimate to be 1.7 x 10(exp -6) solar masses yr(exp -1). We determine that excess infrared emission produced by the circumstellar accretion disk, the inner infalling envelope, and accretion shocks at the surface of the stellar core of YLW 15 all contribute significantly to its near-IR (infrared) continuum veiling. Its rotational velocity v sin i = 50 km s(exp -1) is comparable to those of flat-spectrum protostars but considerably higher than those of classical T Tauri stars in the rho Oph cloud. The protostar may be magnetically coupled to its circumstellar disk at a radius of 2 - 3 R(sub *). It is also plausible that this protostar can shed over half its angular momentum and evolve into a more slowly rotating classical T Tauri star by remaining coupled to its circumstellar disk (at increasing radius) as its accretion rate drops by an order of magnitude during the rapid transition between the Class I and Class II phases of evolution. The spectrum of WL 6 does not show any photospheric absorption features, and we estimate that its continuum veiling is r(sub k) is greater than or equal to 4.6. Its low luminosity (2 solar masses) and high veiling dictate that its central protostar is very low mass, M is approx. 0.1 solar masses. We also evaluate multi-epoch X ray data along with these spectra and conclude that the X ray variabilities of these sources are not directly related to their protostellar rotation velocities.

Greene, Thomas P.↗
NASA NTRS1997

The first living systems: a bioenergetic perspective

The first systems of molecules having the properties of the living state presumably self-assembled from a mixture of organic compounds available on the prebiotic Earth. To carry out the polymer synthesis characteristic of all forms of life, such systems would require one or more sources of energy to activate monomers to be incorporated into polymers. Possible sources of energy for this process include heat, light energy, chemical energy, and ionic potentials across membranes. These energy sources are explored here, with a particular focus on mechanisms by which self-assembled molecular aggregates could capture the energy and use it to form chemical bonds in polymers. Based on available evidence, a reasonable conjecture is that membranous vesicles were present on the prebiotic Earth and that systems of replicating and catalytic macromolecules could become encapsulated in the vesicles. In the laboratory, this can be modeled by encapsulated polymerases prepared as liposomes. By an appropriate choice of lipids, the permeability properties of the liposomes can be adjusted so that ionic substrates permeate at a sufficient rate to provide a source of monomers for the enzymes, with the result that nucleic acids accumulate in the vesicles. Despite this progress, there is still no clear mechanism by which the free energy of light, ion gradients, or redox potential can be coupled to polymer bond formation in a protocellular structure.

Review↗
NASA NTRS1994

The FU Orionis Outburst as a Thermal Disk Accretion Event: Detailed Calculations and Comparison to Observations

FU Orionis outbursts are temporary large increases in luminosity: x(40-250) thought to occur repeatedly in all low mass young stellar systems. We discuss detailed calculations of viscous accretion disks suggesting that FU Ori events signify the existence of a protostellar disk transporting mass at a rate of (1-10) x 10(exp -6) Solar Mass/yr, in agreement with theoretical and observational estimates of molecular cloud core collapse rates. Accretion through the inner edge of disks subject to outburst is self-regulated through the thermal ionization instability such that long periods (approximately 1000 yrs) of low mass flux: (1-10) x 10(exp -8) Solar Mass/yr, are punctuated by short periods (approximately 100 yrs) of high mass flux: (1-10) x 10(exp -5) Solar Mass/yr. The unstable region of the disk extends radially only to a distance of approximately 1/4 AU. Beyond this region matter is transported stably at the infall rate. In systems for which M = 1 Solar Mass, with an inner disk edge of 3 Solar Radius, the critical rate for outbursts is 5 x 10(exp -7) Solar Mass/yr independent of the magnitude of the viscous alpha parameter consistent with estimates of boundary layer mass flux in T Tauri stars. We use timescales of observed outbursts to constrain the magnitude of the alpha parameter to be 10(exp -4) where hydrogen is neutral and 10(exp -3) where ionized. Light curves of V1515 Cyg, FU Ori, and V1057 Cyg are reproduced; the latter two require application of a small perturbation in surface density to produce observed rapid rise times. Detailed reply is made to objections to the accretion disk model for outbursts. Comparison to observations are made of time dependent spectral energy distributions, colors, and line-width velocity evolution.

Bell, K. R.↗
NASA NTRS2001

Effects of Convective Transport of Solute and Impurities on Defect-Causing Kinetics Instabilities

For in-situ studies of the formation and evolution of step patterns during the growth of protein crystals, we have designed and assembled an experimental setup based on Michelson interferometry with the surface of the growing protein crystal as one of the reflective surfaces. The crystallization part of the device allows optical monitoring of a face of a crystal growing at temperature stable within 0.05 C in a developed solution flow of controlled direction and speed. The reference arm of the interferometer contains a liquid-crystal element that allows controlled shifts of the phase of the interferograms. We employ an image processing algorithm which combines five images with a pi/2 phase difference between each pair of images. The images are transferred to a computer by a camera capable of capturing 6-8 frames per second. The device allows data collection data regarding growth over a relatively large area (approximately .3 sq. mm) in-situ and in real time during growth. The estimated dept resolution of the phase shifting interferometry is about 100 A. The lateral resolution, depending on the zoom ratio, varies between 0.3 and 0.6 micrometers. We have now collected quantitative results on the onset, initial stages and development of instabilities in moving step trains on vicinal crystal surfaces at varying supersaturation, position on the facet, crystal size and temperature with the proteins ferritin, apoferritin and thaumatin. Comparisons with theory, especially with the AFM results on the molecular level processes, see below, allow tests of the rational for the effects of convective flows and, as a particular case, the lack thereof, on step bunching.

Vekilov, Peter G.↗
NASA NTRS1994

The FU Orionis Outburst as a Thermal Disk Accretion Event: Detailed Calculations and Comparison to Observations

FU Orionis outbursts are temporary large increases in luminosity: x (40 - 250) thought to occur repeatedly in all low mass young stellar systems. We discuss detailed calculations of viscous accretion disks suggesting that FU Ori events signify the existence of a protostellar disk transporting mass at a rate of (1 - 10) x 10(exp 6) solar mass / yr, in agreement with theoretical and observational estimates of molecular cloud core collapse rates. Accretion through the inner edge of disks subject to outburst is self-regulated through the thermal ionization instability such that long periods (approx. 1000 yrs) of low mass flux: (1 - 10) x 10(exp -5) solar mass / yr, are punctuated by short periods (approx. 100 yrs) of high mass flux: (1-10) x 10(exp -5) solar mass / yr. The unstable region of the disk extends radially only to a distance of approx. = 1/4 AU. Beyond this region matter is transported stably at the infall rate. In systems for which M(sum *) = 1 solar mass with an inner disk edge of 3 solar radius, the critical rate for outbursts is 5 x 10(exp -7) solar mass / yr independent of the magnitude of the viscous ce parameter consistent with estimates of boundary layer mass flux in T Tauri stars. We use timescales of observed outbursts to constrain the magnitude of the alpha parameter to be 10(exp -4) where hydrogen is neutral and 10(exp -3) where ionized. Light curves of V1515 Cyg, FU Ori, and V1057 Cya are reproduced; the latter two require application of a small perturbation in surface density to produce observed rapid rise times. Detailed reply is made to objections to the accretion disk model for outbursts. Comparison to observations are made of time dependent spectral energy distributions, colors, and line-width velocity evolution.

Bell, K. R.↗
NASA NTRSDate not supplied

From the Interstellar Medium to Ocean Worlds: new challenges for Laboratory Astrophysics

From the Interstellar Medium to Ocean Worlds: new challenges for Laboratory Astrophysics For the past 35+ years, laboratory experiments in Astrophysics have been focusing on identifying and understanding the molecular species and chemistry occurring in interstellar environments, such as the diffuse interstellar medium (ISM) and dense molecular clouds. A significant portion of these laboratory efforts concerns investigations of carbon-based molecules ranging in size from a single carbon atom (e.g., CO, CO2, H2CO) to large polycyclic aromatic hydrocarbon (PAH) molecules potentially consisting of more than one hundred carbon atoms as well as their reactions with H2O and other interstellar species. The laboratory facilities built to conduct these investigations are capable of monitoring the chemistry and measuring the spectra under a wide range of interstellar conditions (e.g., low temperatures and pressures). The past 15 years of space exploration revealed the presence of at least nine other Ocean Worlds, besides Earth, in our Solar System. These worlds include moons and dwarf planets, ice-covered surfaces, subsurface oceans, as well as geysers venting H2O and other compounds, including organics in at least one environment, into space. Although these worlds represent environments that are significantly different from those traditionally considered the realm of Laboratory Astrophysics, their facilities are well situated to provide insight into the chemistry occurring in and around these worlds as well as experimental data for the interpretation of observations from missions visiting these Ocean World. This presentation will discuss the areas where Laboratory Astrophysics can provide experimental data to help understand the chemistry, and mission data of Ocean Worlds, and the challenges research into Ocean Worlds presents to our current facilities and how they can be overcome. Lastly, this presentation will introduce the new ICEE (In-situ Carbon Evolution Experiments) facility at NASA Ames Research Center as an example of how a lab dedicated to Laboratory Astrophysics can adapt itself to also meet the needs for Ocean Worlds research.

Andrew Lige Mattioda↗
NASA NTRS2003

Structure, Function, Self-Assembly and Origin of Simple Membrane Proteins

Integral membrane proteins perform such essential cellular functions as transport of ions, nutrients and waste products across cell walls, transduction of environmental signals, regulation of cell fusion, recognition of other cells, energy capture and its conversion into high-energy compounds. In fact, 30-40% of genes in modem organisms codes for membrane proteins. Although contemporary membrane proteins or their functional assemblies can be quite complex, their transmembrane fragments are usually remarkably simple. The most common structural motif for these fragments is a bundle of alpha-helices, but occasionally it could be a beta-barrel. In a series of molecular dynamics computer simulations we investigated self-organizing properties of simple membrane proteins based on these structural motifs. Specifically, we studied folding and insertion into membranes of short, nonpolar or amphiphatic peptides. We also investigated glycophorin A, a peptide that forms sequence-specific dimers, and a transmembrane aggregate of four identical alpha-helices that forms an efficient and selective voltage-gated proton channel was investigated. Many peptides are attracted to water-membrane interfaces. Once at the interface, nonpolar peptides spontaneously fold to a-helices. Whenever the sequence permits, peptides that contain both polar and nonpolar amino also adopt helical structures, in which polar and nonpolar amino acid side chains are immersed in water and membrane, respectively. Specific identity of side chains is less important. Helical peptides at the interface could insert into the membrane and adopt a transmembrane conformation. However, insertion of a single helix is unfavorable because polar groups in the peptide become completely dehydrated upon insertion. The unfavorable free energy of insertion can be regained by spontaneous association of peptides in the membrane. The first step in this process is the formation of dimers, although the most common are aggregates of 4-7 helices. The helices could arrange themselves such that they formed pores capable of transporting ions and small molecules across membranes. Stability of transmembrane aggregates of simple proteins is often only marginal and, therefore, it can be regulated by environmental signals or small sequence modifications in the region of interhelical interactions. A key step in the earliest evolution of membrane proteins was the emergence of selectivity for specific substrates. Many channels could become selective if one or only a few properly chosen amino acids are properly placed along the channel, acting as filters or gates. This is a convenient evolutionary solution because it does not require imposing conditions on the whole sequence.

Pohorille, Andrew↗