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Sample records for starburst molecular structure

  1. Molecular outflows in starburst nuclei

    NASA Astrophysics Data System (ADS)

    Roy, Arpita; Nath, Biman B.; Sharma, Prateek; Shchekinov, Yuri

    2016-12-01

    Recent observations have detected molecular outflows in a few nearby starburst nuclei. We discuss the physical processes at work in such an environment in order to outline a scenario that can explain the observed parameters of the phenomenon, such as the molecular mass, speed and size of the outflows. We show that outflows triggered by OB associations, with NOB ≥ 105 (corresponding to a star formation rate (SFR)≥1 M⊙ yr-1 in the nuclear region), in a stratified disc with mid-plane density n0 ˜ 200-1000 cm-3 and scaleheight z0 ≥ 200(n0/102 cm-3)-3/5 pc, can form molecules in a cool dense and expanding shell. The associated molecular mass is ≥107 M⊙ at a distance of a few hundred pc, with a speed of several tens of km s-1. We show that an SFR surface density of 10 ≤ ΣSFR ≤ 50 M⊙ yr-1 kpc-2 favours the production of molecular outflows, consistent with observed values.

  2. HIGH-DENSITY MOLECULAR GAS PROPERTIES OF THE STARBURST GALAXY NGC 1614 REVEALED WITH ALMA

    SciTech Connect

    Imanishi, Masatoshi; Nakanishi, Kouichiro

    2013-09-15

    We present the results of HCN/HCO{sup +}/HNC J = 4-3 transition line observations of the nearby starburst galaxy NGC 1614, obtained with ALMA Cycle 0. We find that high density molecular gas traced with these lines shows a velocity structure such that the northern (southern) side of the nucleus is redshifted (blueshifted) with respect to the nuclear velocity of this galaxy. The redshifted and blueshifted emission peaks are offset by {approx}0.''6 at the northern and southern sides of the nucleus, respectively. At these offset positions, observations at infrared >3 {mu}m indicate the presence of active dusty starbursts, supporting the picture that high-density molecular gas is the site of active starbursts. The enclosed dynamical mass within the central {approx}2'' in radius, derived from the dynamics of the high-density molecular gas, is {approx}10{sup 9} M{sub Sun }, which is similar to previous estimates. Finally, the HCN emission is weaker than HCO{sup +} but stronger than HNC for J = 4-3 for all starburst regions of NGC 1614, as seen for J = 1-0 transition lines in starburst-dominated galaxies.

  3. Dense molecular gas in starburst galaxies: Warmer than expected?

    NASA Astrophysics Data System (ADS)

    Muhle, S.; Henkel, C.; de Maio, T.; Seaquist, E. R.

    2011-05-01

    Star formation processes and their feedback play a crucial role in the evolution of almost every galaxy, locally as well as at high redshifts. The question whether or not the initial mass function (IMF) is universal, i.e. the same in all kinds of environments, is still subject to intense debate. A number of recent observations have been interpreted as evidence for a top-heavy IMF, spanning a variety of objects, from the center of our Galaxy to circumnuclear starburst regions and ultra-compact dwarf galaxies. Hydrodynamical simulations can reproduce such a top-heavy IMF if the raw material of star formation, the dense molecular gas, is assumed to have a kinetic temperature of ˜ 100 K. Such a molecular gas phase is not observed in the dense cores in the Galactic plane, but may be present in active environments like the cores of starburst galaxies or near AGN. Unfortunately, the kinetic temperature of the molecular gas in many external galaxies is not well constrained, because many of the most common extragalactic tracer molecules suffer from a degeneracy between the kinetic temperature and the gas density in a non-LTE line ratio analysis. We demonstrate the diagnostic power of a selected set of para-formaldehyde lines as tracers of the kinetic temperature as well as the gas density in external galaxies using our non-LTE radiative transfer model. With this new observational tool, we have engaged in characterizing the properties of the dense molecular gas phase in a number of nearby starburst galaxies and near AGN. Our first results suggest the existence of a dense molecular gas phase that is significantly warmer than the dust and much warmer than dense molecular gas found in the Milky Way disk.

  4. Extragalactic molecular line surveys: the starburst galaxy NGC253

    NASA Astrophysics Data System (ADS)

    Martín, S.; Mauersberger, R.; Martín-Pintado, J.; Henkel, C.; García-Burillo, S.

    Figure 1 shows the first spectral line survey towards an extragalactic source, the starburst galaxy NGC253. The scan, carried out at the IRAM 30m telescope, covers ~86% of the observable 2mm atmospheric window from 129.1 to 175.2GHz. A total of ~ 100 spectral features have been identified as transitions from 25 different molecular species. Ten out of these 25 molecules have been detected for the first time towards a starbust galaxy. NO, NS, SO2, H2S and H2CS were reported by Martín et al.(2003), Martín et al.(2005) while C2S, CH2NH, NH2CN, HOCO+ and C3H are tentatively detected in the survey. These new detections implies an increase of ~ 40% in the 27 molecular species previosly detected outside the galaxy (Mauersberger & Henkel(1993), Mauersberger et al.(1995), Sage & Ziurys(1995), Heikkila et al.(1999).) Additionaly, DNC and N2D+, two deuterated species never obseved in the extragalactic ISM, are tentatively identified. The molecular abundances derived for each species in NGC253 have been compared with five Galactic sources known to be prototypes of different types of chemistry. The chemical complexity of NGC253 resembles closely that observed towards prototypical Galactic Center molecular clouds (SgrB2(OH) in, thought to be mainly dominated by low velocity shocks Martín-Pintado et al.(2001). This comparison certainly indicates that the chemistry of the molecular environment within the nuclear region of NGC253 and that in Galactic Center molecular clouds are driven by similar physical processes. Also a comparison has been performed with five selected prominent galaxies which clearly shows up the chemical differenciation between nuclei of galaxies. The chemical complexity of IC342, and also that of NGC4945 except for the observed lack of SiO, clearly resemble that of NGC253. On the other hand, it is remarkable the different chemical complexity observed between the starburst nuclei within NGC253 and M82. This difference has been interpreted in terms of the

  5. Circumnuclear molecular gas in starburst and Seyfert galaxies

    NASA Technical Reports Server (NTRS)

    Taniguchi, Yoshiaki; Kameya, Osamo; Nakai, Naomasa

    1990-01-01

    In order to investigate circumnuclear molecular gaseous contents and their relation to the nuclear activity, researchers made a search for circumnuclear (12)CO (J=1-0) emission from 28 starburst-nucleus galaxies (SBNs) and 12 Seyfert galaxies with the recession velocities less than 5000 km/s, using the Nobeyama Radio Observatory 45-m telescope. The full half-power beam width of 17 arcsec covers a region of less than about 5 kpc in diameter for the sample galaxies. The circumnuclear CO emission was detected from twelve SBNs (one is marginal) and four Seyfert galaxies. The main results and conclusions are summarized. Researchers derived the circumnuclear surface density of molecular gas which is corrected for inclination of the galaxies. This analysis shows that the surface density spans a wide range over two orders of magnitude. Further, there is no significant difference in the surface densities between types 1 and 2 Seyfert galaxies. Thus, we may conclude that the circumnuclear molecular content is not a key parameter producing the dichotomy of the Seyfert galaxies. It is also shown that there is no significant difference in the circumnuclear surface densities of molecular gas among the Seyfert, starburst, and normal galaxies. This implies that the circumnuclear gaseous content is not a key parameter determining which activity occurs in nuclei. We may conclude that more centrally condensed (i.e., less than 10 - 100 pc in diameter) gas components play an essential role on the occurrence of nuclear activities. Comparing results with the previous ones, researchers deduced radial distribution of surface density of molecular gases. They cannot obtain evidence for strong central concentration of molecular gas in the sample Seyfert galaxies except for NGC 3227. This is consistent with the previous result by Blitz, Mathieu, and Bally (1986). Comparing the CO emission line profiles with the previous ones taken with the larger beams, researchers discovered circumnuclear

  6. Molecular gas during the post-starburst phase: low gas fractions in green-valley Seyfert post-starburst galaxies

    NASA Astrophysics Data System (ADS)

    Yesuf, Hassen M.; French, K. Decker; Faber, S. M.; Koo, David C.

    2017-08-01

    Post-starbursts (PSBs) are candidate for rapidly transitioning from starbursting to quiescent galaxies. We study the molecular gas evolution of PSBs at z ∼ 0.03-0.2. We undertook new CO (2-1) observations of 22 Seyfert PSB candidates using the Arizona Radio Observatory Submillimeter Telescope. This sample complements previous samples of PSBs by including green-valley PSBs with Seyfert-like emission, allowing us to analyse for the first time the molecular gas properties of 116 PSBs with a variety of AGN properties. The distribution of molecular gas to stellar mass fractions in PSBs is significantly different from normal star-forming galaxies in the CO Legacy Database (COLD) GASS survey. The combined samples of PSBs with Seyfert-like emission line ratios have a gas fraction distribution that is even more significantly different and is broader (∼0.03-0.3). Most of them have lower gas fractions than normal star-forming galaxies. We find a highly significant correlation between the WISE 12 and 4.6 μm flux ratios and molecular gas fractions in both PSBs and normal galaxies. We detect molecular gas in 27 per cent of our Seyfert PSBs. Taking into account the upper limits, the mean and the dispersion of the distribution of the gas fraction in our Seyfert PSB sample are much smaller (μ = 0.025, σ = 0.018) than previous samples of Seyfert PSBs or PSBs in general (μ ∼ 0.1-0.2, σ ∼ 0.1-0.2).

  7. Physical Conditions in the Molecular Gas of the Local Group Dwarf Starburst, IC 10

    NASA Astrophysics Data System (ADS)

    Bittle, Lauren E.; Johnson, Kelsey E.; Leroy, Adam; Indebetouw, Remy; Sandstrom, Karin; Kepley, Amanda A.; Schruba, Andreas; Bolatto, Alberto D.; Walter, Fabian; Donovan Meyer, Jennifer; Hughes, Annie; Zschaechner, Laura; Kramer, Carsten; Gratier, Pierre; Krips, Melanie; Lee, Cheoljong

    2016-01-01

    We present new multi-transition mapping of the molecular gas in the nearest dwarf starburst galaxy, the Local Group dwarf IC 10. Using the IRAM 30-m telescope, we have mapped the CO(1-0), CO(2-1), and 13CO(1-0) transitions over the whole area of the disk. We followed up these observations with targeted ARO SMT spectroscopy of the CO(2-1) and 13CO(2-1) transitions. Together these give the most complete, sensitive view of the internal conditions in the molecular gas of a dwarf starburst galaxy to date. We present the resolved CO line ratios for this dwarf starburst and discuss their implications for the excitation, density, and optical thickness of the CO-emitting molecular gas. We consider both basic LTE calculations and comparing to the results of LVG (Radex) modeling.

  8. How Does Dense Molecular Gas Contribute to Star Formation in the Starburst Galaxy NGC 2146?

    NASA Astrophysics Data System (ADS)

    Wofford, Alia

    2017-01-01

    The starburst galaxy NGC 2146 is believed to have been formed approximately 800 Myr ago, when two galaxies collided with each other possibly leading to a burst of star formation. NGC 2146 is known as a starburst galaxy for the high frequency of star formation going on in its molecular clouds. These clouds serve as nurseries for star formation to occur. Hydrogen Cyanide (HCN) and Carbon monoxide (CO) are molecules found in molecular gas clouds. HCN molecules are tracers for high density star forming gas. Whereas, CO molecules are tracers for low density star forming gas. In this project, we are observing these two molecules and their proximity to where the stars are forming in the galaxy to determine if the star formation is occurring in the same area as the high and low density molecular gas areas in starburst galaxy NGC 2146.

  9. Structure of the Interacting Starburst Galaxy II Zw 23

    NASA Astrophysics Data System (ADS)

    Cigan, P. J.; Gallagher, J. S.; Rudie, G.; Wehner, E. H.

    2005-09-01

    II Zw 23 (UGC 3179) is a luminous (MB -21) nearby compact narrow emission line starburst galaxy with blue optical colors and strong emission lines. We present a photometric and morphological study of II Zw 23 and its interacting companion, PC016099, using data obtained with the WIYN 3.5-m telescope in combination with a WFPC2 image from the HST archives. II Zw 23 has a highly disturbed outer structure with long trails of debris that may be feeding tidal dwarfs. Its central regions appear disk-like, a structure that is consistent with the overall rotation pattern observed in the Hα emission line velocity field measured from Densepak observations obtained with WIYN. We discuss these results in terms of the different evolutionary paths followed by stars and gas during strong interactions and the possibility of rapid secondary galactic disk formation in such events.

  10. Discovery of Large Molecular Gas Reservoirs in Post-starburst Galaxies

    NASA Astrophysics Data System (ADS)

    French, K. Decker; Yang, Yujin; Zabludoff, Ann; Narayanan, Desika; Shirley, Yancy; Walter, Fabian; Smith, John-David; Tremonti, Christy A.

    2015-03-01

    Post-starburst (or "E+A") galaxies are characterized by low Hα emission and strong Balmer absorption, suggesting a recent starburst, but little current star formation. Although many of these galaxies show evidence of recent mergers, the mechanism for ending the starburst is not yet understood. To study the fate of the molecular gas, we search for CO(1-0) and (2-1) emission with the IRAM 30 m and SMT 10 m telescopes in 32 nearby (0.01 < z < 0.12) post-starburst galaxies drawn from the Sloan Digital Sky Survey. We detect CO in 17 (53%). Using CO as a tracer for molecular hydrogen, and a Galactic conversion factor, we obtain molecular gas masses of M(H2) = 108.6-109.8 M ⊙ and molecular gas mass to stellar mass fractions of ~10-2-10-0.5, comparable to those of star-forming galaxies. The large amounts of molecular gas rule out complete gas consumption, expulsion, or starvation as the primary mechanism that ends the starburst in these galaxies. The upper limits on M(H2) for the 15 undetected galaxies range from 107.7 M ⊙ to 109.7 M ⊙, with the median more consistent with early-type galaxies than with star-forming galaxies. Upper limits on the post-starburst star formation rates (SFRs) are lower by ~10 × than for star-forming galaxies with the same M(H2). We also compare the molecular gas surface densities (Σ _H_2) to upper limits on the SFR surface densities (ΣSFR), finding a significant offset, with lower ΣSFR for a given Σ _H_2 than is typical for star-forming galaxies. This offset from the Kennicutt-Schmidt relation suggests that post-starburst galaxies have lower star formation efficiency, a low CO-to-H2 conversion factor characteristic of ultraluminous infrared galaxies, and/or a bottom-heavy initial mass function, although uncertainties in the rate and distribution of current star formation remain.

  11. Suppression of star formation in the galaxy NGC 253 by a starburst-driven molecular wind.

    PubMed

    Bolatto, Alberto D; Warren, Steven R; Leroy, Adam K; Walter, Fabian; Veilleux, Sylvain; Ostriker, Eve C; Ott, Jürgen; Zwaan, Martin; Fisher, David B; Weiss, Axel; Rosolowsky, Erik; Hodge, Jacqueline

    2013-07-25

    The under-abundance of very massive galaxies in the Universe is frequently attributed to the effect of galactic winds. Although ionized galactic winds are readily observable, most of the expelled mass (that is, the total mass flowing out from the nuclear region) is likely to be in atomic and molecular phases that are cooler than the ionized phases. Expanding molecular shells observed in starburst systems such as NGC 253 (ref. 12) and M 82 (refs 13, 14) may facilitate the entrainment of molecular gas in the wind. Although shell properties are well constrained, determining the amount of outflowing gas emerging from such shells and the connection between this gas and the ionized wind requires spatial resolution better than 100 parsecs coupled with sensitivity to a wide range of spatial scales, a combination hitherto not available. Here we report observations of NGC 253, a nearby starburst galaxy (distance ∼ 3.4 megaparsecs) known to possess a wind, that trace the cool molecular wind at 50-parsec resolution. At this resolution, the extraplanar molecular gas closely tracks the Hα filaments, and it appears to be connected to expanding molecular shells located in the starburst region. These observations allow us to determine that the molecular outflow rate is greater than 3 solar masses per year and probably about 9 solar masses per year. This implies a ratio of mass-outflow rate to star-formation rate of at least 1, and probably ∼3, indicating that the starburst-driven wind limits the star-formation activity and the final stellar content.

  12. Stellar feedback as the origin of an extended molecular outflow in a starburst galaxy.

    PubMed

    Geach, J E; Hickox, R C; Diamond-Stanic, A M; Krips, M; Rudnick, G H; Tremonti, C A; Sell, P H; Coil, A L; Moustakas, J

    2014-12-04

    Recent observations have revealed that starburst galaxies can drive molecular gas outflows through stellar radiation pressure. Molecular gas is the phase of the interstellar medium from which stars form, so these outflows curtail stellar mass growth in galaxies. Previously known outflows, however, involve small fractions of the total molecular gas content and have typical scales of less than a kiloparsec. In at least some cases, input from active galactic nuclei is dynamically important, so pure stellar feedback (the momentum return into the interstellar medium) has been considered incapable of rapidly terminating star formation on galactic scales. Molecular gas has been detected outside the galactic plane of the archetypal starburst galaxy M82 (refs 4 and 5), but so far there has been no evidence that starbursts can propel substantial quantities of cold molecular gas to the same galactocentric radius (about 10 kiloparsecs) as the warmer gas that has been traced by metal ion absorbers in the circumgalactic medium. Here we report observations of molecular gas in a compact (effective radius 100 parsecs) massive starburst galaxy at redshift 0.7, which is known to drive a fast outflow of ionized gas. We find that 35 per cent of the total molecular gas extends approximately 10 kiloparsecs, and one-third of this extended gas has a velocity of up to 1,000 kilometres per second. The kinetic energy associated with this high-velocity component is consistent with the momentum flux available from stellar radiation pressure. This demonstrates that nuclear bursts of star formation are capable of ejecting large amounts of cold gas from the central regions of galaxies, thereby strongly affecting their evolution by truncating star formation and redistributing matter.

  13. OBSERVATIONAL CONSTRAINTS ON THE MOLECULAR GAS CONTENT IN NEARBY STARBURST DWARF GALAXIES

    SciTech Connect

    McQuinn, Kristen B. W.; Skillman, Evan D.; Dalcanton, Julianne J.; Weisz, Daniel R.; Williams, Benjamin F.; Dolphin, Andrew E.; Cannon, John M.; Holtzman, Jon

    2012-06-01

    Using star formation histories derived from optically resolved stellar populations in 19 nearby starburst dwarf galaxies observed with the Hubble Space Telescope, we measure the stellar mass surface densities of stars newly formed in the bursts. By assuming a star formation efficiency (SFE), we then calculate the inferred gas surface densities present at the onset of the starbursts. Assuming an SFE of 1%, as is often assumed in normal star-forming galaxies, and assuming that the gas was purely atomic, translates to very high H I surface densities ({approx}10{sup 2}-10{sup 3} M{sub Sun} pc{sup -2}), which are much higher than have been observed in dwarf galaxies. This implies either higher values of SFE in these dwarf starburst galaxies or the presence of significant amounts of H{sub 2} in dwarfs (or both). Raising the assumed SFEs to 10% or greater (in line with observations of more massive starbursts associated with merging galaxies), still results in H I surface densities higher than observed in 10 galaxies. Thus, these observations appear to require that a significant fraction of the gas in these dwarf starbursts galaxies was in the molecular form at the onset of the bursts. Our results imply molecular gas column densities in the range 10{sup 19}-10{sup 21} cm{sup -2} for the sample. In the galaxies where CO observations have been made, these densities correspond to values of the CO-H{sub 2} conversion factor (X{sub CO}) in the range >(3-80) Multiplication-Sign 10{sup 20} cm{sup -2} (K km s{sup -1}){sup -1}, or up to 40 Multiplication-Sign greater than Galactic X{sub CO} values.

  14. Dense Molecular Gas Tracers in the Outflow of the Starburst Galaxy NGC 253

    NASA Astrophysics Data System (ADS)

    Walter, Fabian; Bolatto, Alberto D.; Leroy, Adam K.; Veilleux, Sylvain; Warren, Steven R.; Hodge, Jacqueline; Levy, Rebecca C.; Meier, David S.; Ostriker, Eve C.; Ott, Jürgen; Rosolowsky, Erik; Scoville, Nick; Weiss, Axel; Zschaechner, Laura; Zwaan, Martin

    2017-02-01

    We present a detailed study of a molecular outflow feature in the nearby starburst galaxy NGC 253 using ALMA. We find that this feature is clearly associated with the edge of NGC 253's prominent ionized outflow, has a projected length of ∼300 pc, with a width of ∼50 pc, and a velocity dispersion of ∼40 km s‑1, which is consistent with an ejection from the disk about 1 Myr ago. The kinematics of the molecular gas in this feature can be interpreted (albeit not uniquely) as accelerating at a rate of 1 km s‑1 pc‑1. In this scenario, the gas is approaching an escape velocity at the last measured point. Strikingly, bright tracers of dense molecular gas (HCN, CN, HCO+, CS) are also detected in the molecular outflow: we measure an HCN(1–0)/CO(1–0) line ratio of ∼ 1/10 in the outflow, similar to that in the central starburst region of NGC 253 and other starburst galaxies. By contrast, the HCN/CO line ratio in the NGC 253 disk is significantly lower (∼ 1/30), similar to other nearby galaxy disks. This strongly suggests that the streamer gas originates from the starburst, and that its physical state does not change significantly over timescales of ∼1 Myr during its entrainment in the outflow. Simple calculations indicate that radiation pressure is not the main mechanism for driving the outflow. The presence of such dense material in molecular outflows needs to be accounted for in simulations of galactic outflows.

  15. Optical depth of molecular gas in starburst galaxies - Is M82 the prototype?

    NASA Technical Reports Server (NTRS)

    Verter, F.; Rickard, L. J.

    1989-01-01

    An attempt is made to survey the CO(2-1) emission toward the centers of 17 IR-luminous galaxies which have previously been detected in CO(1-0). These galaxies span a wide range of size and L(FIR)/L(B) ratio, many have multiple-wavelength studies establishing them as starbursts, and some bear a morphological resemblance to M 82. Nine galaxies are detected and useful upper limits are placed on the remaining eight. Using the CO(2-1)/CO(1-0) ratio of antenna temperature as a diagnostic of optical depth, it is found that all of the galaxies contain predominantly optically thick molecular gas. This implies that the phase of starburst during which the molecular gas is optically thin, currently witnessed in M 82, is either uncommon or short-lived.

  16. Large turbulent reservoirs of cold molecular gas around high-redshift starburst galaxies.

    PubMed

    Falgarone, E; Zwaan, M A; Godard, B; Bergin, E; Ivison, R J; Andreani, P M; Bournaud, F; Bussmann, R S; Elbaz, D; Omont, A; Oteo, I; Walter, F

    2017-08-24

    Starburst galaxies at the peak of cosmic star formation are among the most extreme star-forming engines in the Universe, producing stars over about 100 million years (ref. 2). The star-formation rates of these galaxies, which exceed 100 solar masses per year, require large reservoirs of cold molecular gas to be delivered to their cores, despite strong feedback from stars or active galactic nuclei. Consequently, starburst galaxies are ideal for studying the interplay between this feedback and the growth of a galaxy. The methylidyne cation, CH(+), is a most useful molecule for such studies because it cannot form in cold gas without suprathermal energy input, so its presence indicates dissipation of mechanical energy or strong ultraviolet irradiation. Here we report the detection of CH(+) (J = 1-0) emission and absorption lines in the spectra of six lensed starburst galaxies at redshifts near 2.5. This line has such a high critical density for excitation that it is emitted only in very dense gas, and is absorbed in low-density gas. We find that the CH(+) emission lines, which are broader than 1,000 kilometres per second, originate in dense shock waves powered by hot galactic winds. The CH(+) absorption lines reveal highly turbulent reservoirs of cool (about 100 kelvin), low-density gas, extending far (more than 10 kiloparsecs) outside the starburst galaxies (which have radii of less than 1 kiloparsec). We show that the galactic winds sustain turbulence in the 10-kiloparsec-scale environments of the galaxies, processing these environments into multiphase, gravitationally bound reservoirs. However, the mass outflow rates are found to be insufficient to balance the star-formation rates. Another mass input is therefore required for these reservoirs, which could be provided by ongoing mergers or cold-stream accretion. Our results suggest that galactic feedback, coupled jointly to turbulence and gravity, extends the starburst phase of a galaxy instead of quenching it.

  17. Large turbulent reservoirs of cold molecular gas around high-redshift starburst galaxies

    NASA Astrophysics Data System (ADS)

    Falgarone, E.; Zwaan, M. A.; Godard, B.; Bergin, E.; Ivison, R. J.; Andreani, P. M.; Bournaud, F.; Bussmann, R. S.; Elbaz, D.; Omont, A.; Oteo, I.; Walter, F.

    2017-08-01

    Starburst galaxies at the peak of cosmic star formation are among the most extreme star-forming engines in the Universe, producing stars over about 100 million years (ref. 2). The star-formation rates of these galaxies, which exceed 100 solar masses per year, require large reservoirs of cold molecular gas to be delivered to their cores, despite strong feedback from stars or active galactic nuclei. Consequently, starburst galaxies are ideal for studying the interplay between this feedback and the growth of a galaxy. The methylidyne cation, CH+, is a most useful molecule for such studies because it cannot form in cold gas without suprathermal energy input, so its presence indicates dissipation of mechanical energy or strong ultraviolet irradiation. Here we report the detection of CH+ (J = 1–0) emission and absorption lines in the spectra of six lensed starburst galaxies at redshifts near 2.5. This line has such a high critical density for excitation that it is emitted only in very dense gas, and is absorbed in low-density gas. We find that the CH+ emission lines, which are broader than 1,000 kilometres per second, originate in dense shock waves powered by hot galactic winds. The CH+ absorption lines reveal highly turbulent reservoirs of cool (about 100 kelvin), low-density gas, extending far (more than 10 kiloparsecs) outside the starburst galaxies (which have radii of less than 1 kiloparsec). We show that the galactic winds sustain turbulence in the 10-kiloparsec-scale environments of the galaxies, processing these environments into multiphase, gravitationally bound reservoirs. However, the mass outflow rates are found to be insufficient to balance the star-formation rates. Another mass input is therefore required for these reservoirs, which could be provided by ongoing mergers or cold-stream accretion. Our results suggest that galactic feedback, coupled jointly to turbulence and gravity, extends the starburst phase of a galaxy instead of quenching it.

  18. Evolution of molecular clouds in the starburst galaxy NGC 1808 revealed with ALMA

    NASA Astrophysics Data System (ADS)

    Salak, D.; Nakai, N.; Miyamoto, Y.

    2015-05-01

    We present large-field CO(1-0) observations of the starburst galaxy NGC 1808 conducted with ALMA. High-resolution (˜100 pc) images reveal a high concentration of molecular gas in the nucleus, 500-pc ring, gas-rich bar, and spiral arms. We derived the bar pattern speed and found an offset between CO and Hα emission peaks in the offset ridges along the bar. The results indicate that the evolution of molecular clouds on the galactic scale is driven by bar dynamics.

  19. The Green Bank Telescope Maps the Dense Molecular Gas in the Starburst Galaxy M82

    NASA Astrophysics Data System (ADS)

    Kepley, Amanda A.; Leroy, A. K.; Frayer, D. T.; Usero, A.; Marvil, J.; Walter, F.

    2014-01-01

    In both the Milky Way and nearby galaxies, the presence of dense molecular gas is correlated with recent star formation, suggesting that the formation of this gas may represent a key regulating step in the star formation process. Testing this idea requires wide-area, high-resolution maps of dense molecular gas in galaxies to explore how local physical conditions drive dense gas formation. Until now, these observations have been limited by the faintness of dense gas tracers like HCN and HCO+, but new instruments like the 4mm receiver on Robert C. Byrd Green Bank Telescope (GBT) -- the largest single-dish millimeter telescope -- are poised to change this picture. We present GBT maps of the dense gas tracers HCN and HCO+ in the prototypical nearby starburst galaxy M82. The HCN and HCO+ in the disk of M82 correlates both with recent star formation and the diffuse molecular gas and shows kinematics consistent with a rotating torus. HCO+ emission is also associated with the outflow of molecular gas previously identified in CO. These observations mark the first time that dense molecular gas like HCO+ has been associated with an outflow in a nearby galaxy and suggests that the outflow of dense molecular gas from the center of galaxies like M82 may regulate the star formation globally. Finally, the CO-to-HCN and CO-to-HCO+ line ratios reveal that there is more dense gas at the center of M82, pointing to the starburst as a key driver of this relationship. These results establish that the GBT can efficiently map the dense molecular gas at 90 GHz in nearby galaxies; this capability will increase further with the 16-element feed array currently being built for the GBT.

  20. The radio core structure of the luminous infrared galaxy NGC 4418. A young clustered starburst revealed?

    NASA Astrophysics Data System (ADS)

    Varenius, E.; Conway, J. E.; Martí-Vidal, I.; Aalto, S.; Beswick, R.; Costagliola, F.; Klöckner, H.-R.

    2014-06-01

    Context. The galaxy NGC 4418 contains one of the most compact obscured nuclei within a luminous infrared galaxy (LIRG) in the nearby Universe. This nucleus contains a rich molecular gas environment and an unusually high ratio of infrared-to-radio luminosity (q-factor). The compact nucleus is powered by either a compact starburst or an active galactic nucleus (AGN). Aims: The aim of this study is to constrain the nature of the nuclear region (starburst or AGN) within NGC 4418 via very-high-resolution radio imaging. Methods: Archival data from radio observations using the European Very Long Baseline Interferometry Network (EVN) and Multi-Element Radio Linked Interferometer Network (MERLIN) interferometers are imaged. Sizes and flux densities are obtained by fitting Gaussian intensity distributions to the image. The average spectral index of the compact radio emission is estimated from measurements at 1.4 GHz and 5.0 GHz. Results: The nuclear structure of NGC 4418 visible with EVN and MERLIN consists of eight compact (<49 mas i.e. <8 pc) features spread within a region of 250 mas, i.e. 41 pc. We derive an inverted spectral index α ≥ 0.7 (Sν ∝ να) for the compact radio emission. Conclusions: Brightness temperatures >104.8 K indicate that these compact features cannot be HII-regions. The complex morphology and inverted spectrum of the eight detected compact features is evidence against the hypothesis that an AGN alone is powering the nucleus of NGC 4418. The compact features could be super star clusters with intense star formation, and their associated free-free absorption could then naturally explain both their inverted radio spectrum and the low radio-to-IR ratio of the nucleus. The required star formation area density is extreme, however, and close to the limit of what can be observed in a well-mixed thermal/non-thermal plasma produced by star formation, and is also close to the limit of what can be physically sustained.

  1. ALMA Resolves the Molecular Gas in a Young Low-metallicity Starburst Galaxy at z = 1.7

    NASA Astrophysics Data System (ADS)

    González-López, Jorge; Barrientos, L. Felipe; Gladders, M. D.; Wuyts, Eva; Rigby, Jane; Sharon, Keren; Aravena, Manuel; Bayliss, Matthew B.; Ibar, Eduardo

    2017-09-01

    We present Atacama Large Millimeter/submillimeter Array observations of CO lines and dust continuum emission of the source RCSGA 032727–132609, a young z = 1.7 low-metallicity starburst galaxy. The CO(3–2) and CO(6–5) lines and continuum at rest-frame 450 μm are detected and show a resolved structure in the image plane. We use the corresponding lensing model to obtain a source plane reconstruction of the detected emissions revealing an intrinsic flux density of {S}450μ {{m}}={23.5}-8.1+26.8 μJy and intrinsic CO luminosities {L}{CO(3-2)}{\\prime }={2.90}-0.23+0.21 × {10}8 {{K}} {km} {{{s}}}-1 {{pc}}2 and {L}{CO(6-5)}{\\prime }={8.0}-1.3+1.4× {10}7 {{K}} {km} {{{s}}}-1 {{pc}}2. We used the resolved properties in the source plane to obtain molecular gas and star formation rate surface densities of {{{Σ }}}{{H}2}={16.2}-3.5+5.8 {M}ȯ {{pc}}-2 and {{{Σ }}}{SFR}={0.54}-0.27+0.89 {M}ȯ {{yr}}-1 {{kpc}}-2, respectively. The intrinsic properties of RCSGA 032727–132609 show an enhanced star formation activity compared to local spiral galaxies with similar molecular gas densities, supporting the ongoing merger–starburst phase scenario. RCSGA 032727–132609 also appears to be a low-density starburst galaxy similar to local blue compact dwarf galaxies, which have been suggested as local analogs to high-redshift low-metallicity starburst systems. Finally, the CO excitation level in the galaxy is consistent with having the peak at J∼ 5, with a higher excitation concentrated in the star-forming clumps.

  2. Dense molecular gas towards W49A: a template for extragalactic starbursts?

    NASA Astrophysics Data System (ADS)

    Roberts, H.; van der Tak, F. F. S.; Fuller, G. A.; Plume, R.; Bayet, E.

    2011-01-01

    Context. The HCN, HCO+, and HNC molecules are commonly used as tracers of dense star-forming gas in external galaxies, but such observations are spatially unresolved. Reliably inferring the properties of galactic nuclei and disks requires detailed studies of sources whose structure is spatially resolved. Aims: To understand the origin of extragalactic molecular line emission, we compare the spatial distributions and abundance ratios of HCN, HCO+, and HNC in W49A, the most massive and luminous star-forming region in the Galactic disk. Methods: Maps of a 2' (6.6 pc) field at 14'' (0.83 pc) resolution of the J = 4-3 transitions of HCN, H13CN, HC15N, HCO+, H13CO+, HC18O+, and HNC are combined with supplementary observations of the J = 5-4 transition of DCN and the J = 3-2 transitions of HCN and H13CO+. Most of the data are from HARP/ACSIS, with supplementary data from JCMT Receiver A and the SCUBA archive. We use maps of the integrated intensity and line-profiles to pick out regions of the source to study in more detail. We compare column densities and abundance ratios towards these regions with each other and with predictions from gas-phase chemical models. Results: The kinematics of the molecular gas in W49A appears complex, with a mixture of infall and outflow motions. Both the line profiles and comparison of the main and rarer species show that the main species are optically thick. Two “clumps” of infalling gas that we look at in more detail appear to be at ~40 K, compared to ≥100 K at the source centre, and may be ~10× denser than the rest of the outer cloud. The chemical modelling suggests that the HCN/HNC ratio probes the current gas temperature, while the HCN/HCO+ ratio and the deuterium fractionation were set during an earlier, colder phase of evolution. Conclusions: The similarity in the derived physical conditions in W49A and those inferred for the molecular gas in external galaxies suggest that W49A is an appropriate analogue of an extragalactic star

  3. FORMATION OF DENSE MOLECULAR GAS AND STARS AT THE CIRCUMNUCLEAR STARBURST RING IN THE BARRED GALAXY NGC 7552

    SciTech Connect

    Pan, Hsi-An; Lim, Jeremy; Matsushita, Satoki; Wong, Tony; Ryder, Stuart

    2013-05-01

    We present millimeter molecular line complemented by optical observations, along with a reanalysis of archival centimeter H I and continuum data, to infer the global dynamics and determine where dense molecular gas and massive stars preferentially form in the circumnuclear starburst ring of the barred-spiral galaxy NGC 7552. We find diffuse molecular gas in a pair of dust lanes each running along the large-scale galactic bar, as well as in the circumnuclear starburst ring. We do not detect dense molecular gas in the dust lanes, but find such gas concentrated in two knots where the dust lanes make contact with the circumnuclear starburst ring. When convolved to the same angular resolution as the images in dense gas, the radio continuum emission of the circumnuclear starburst ring also exhibits two knots, each lying downstream of an adjacent knot in dense gas. The results agree qualitatively with the idea that massive stars form from dense gas at the contact points, where diffuse gas is channeled into the ring along the dust lanes, and later explode as supernovae downstream of the contact points. Based on the inferred rotation curve, however, the propagation time between the respective pairs of dense gas and centimeter continuum knots is about an order of magnitude shorter than the lifetimes of OB stars. We discuss possible reasons for this discrepancy, and conclude that either the initial mass function is top-heavy or massive stars in the ring do not form exclusively at the contact points where dense molecular gas is concentrated.

  4. Bifunctional star-burst amorphous molecular materials for OLEDs: achieving highly efficient solid-state luminescence and carrier transport induced by spontaneous molecular orientation.

    PubMed

    Kim, Jun Yun; Yasuda, Takuma; Yang, Yu Seok; Adachi, Chihaya

    2013-05-21

    Bifunctional star-burst amorphous molecular materials displaying both efficient solid-state luminescence and high hole-transport properties are developed in this study. A high external electroluminescence quantum efficiency up to 5.9% is attained in OLEDs employing the developed amorphous materials. It is revealed that the spontaneous horizontal orientation of these light-emitting molecules in their molecular-condensed states leads to a remarkable enhancement of the electroluminescence efficiencies and carrier-transport properties.

  5. Shrouded Starburst

    NASA Image and Video Library

    2010-11-19

    A brilliant burst of star formation is revealed in this image combining observations from NASA Spitzer and Hubble Space Telescopes. The collision of two spiral galaxies has triggered this luminous starburst.

  6. Evolution of the ISM in main-sequence versus starburst galaxies: A motivation for molecular deep fields

    NASA Astrophysics Data System (ADS)

    Aravena, Manuel

    In the last decade, significant progress has been made to understand the evolution with redshift of star formation processes in galaxies. Its is now clear that the majority of galaxies at z<3 form a nearly linear correlation between their stellar mass and star formation rates and appear to create most of their stars in timescales of ~1 Gyr. At the highest luminosities, a significant fraction of galaxies deviate from this main-sequence, showing short duty cycles and thus producing most of their stars in a single burst of star formation within ~100 Myr, being likely driven by major merger activity. Despite the large luminosities of starbursts, main-sequence galaxies appear to dominate the star formation density of the Universe at its peak. While progress has been impressive, a number of questions are still unanswered. In this paper, I briefly review our current observational understanding of this main-sequence vs starburst galaxy paradigm, and address how future observations will help us to have better insights into the fundamental properties of the interstellar medium of these galaxies. Finally, I show recent attempts to conduct molecular deep field observations and the motivation to perform molecular deep field spectroscopy with the Atacama Large Millimeter/submillimeter Array.

  7. Molecular gas heating mechanisms, and star formation feedback in merger/starbursts: NGC 6240 and Arp 193 as case studies

    SciTech Connect

    Papadopoulos, Padelis P.; Zhang, Zhi-Yu; Weiss, Axel; Van der Werf, Paul; Israel, F. P.; Greve, T. R.; Isaak, Kate G.; Gao, Y. E-mail: zyzhang@pmo.ac.cn E-mail: aweiss@mpifr-bonn.mpg.de E-mail: israel@strw.leidenuniv.nl E-mail: kisaak@rssd.esa.int

    2014-06-20

    We used the SPIRE/FTS instrument aboard the Herschel Space Observatory to obtain the Spectral Line Energy Distributions (SLEDs) of CO from J = 4-3 to J = 13-12 of Arp 193 and NGC 6240, two classical merger/starbursts selected from our molecular line survey of local Luminous Infrared Galaxies (L {sub IR} ≥ 10{sup 11} L {sub ☉}). The high-J CO SLEDs are then combined with ground-based low-J CO, {sup 13}CO, HCN, HCO{sup +}, CS line data and used to probe the thermal and dynamical states of their large molecular gas reservoirs. We find the two CO SLEDs strongly diverging from J = 4-3 onward, with NGC 6240 having a much higher CO line excitation than Arp 193, despite their similar low-J CO SLEDs and L {sub FIR}/L {sub CO,} {sub 1} {sub –0}, L {sub HCN}/L {sub CO} (J = 1-0) ratios (proxies of star formation efficiency and dense gas mass fraction). In Arp 193, one of the three most extreme starbursts in the local universe, the molecular SLEDs indicate a small amount (∼5%-15%) of dense gas (n ≥ 10{sup 4} cm{sup –3}) unlike NGC 6240 where most of the molecular gas (∼60%-70%) is dense (n ∼ (10{sup 4}-10{sup 5}) cm{sup –3}). Strong star-formation feedback can drive this disparity in their dense gas mass fractions, and also induce extreme thermal and dynamical states for the molecular gas. In NGC 6240, and to a lesser degree in Arp 193, we find large molecular gas masses whose thermal states cannot be maintained by FUV photons from Photon-Dominated Regions. We argue that this may happen often in metal-rich merger/starbursts, strongly altering the initial conditions of star formation. ALMA can now directly probe these conditions across cosmic epoch, and even probe their deeply dust-enshrouded outcome, the stellar initial mass function averaged over galactic evolution.

  8. Models of the Molecular Interstellar Medium in Starbursts and AGN from z=0-6

    NASA Astrophysics Data System (ADS)

    Narayanan, Desika T.; Cox, T.; Chakrabarti, S.; Dave, R.; Di Matteo, T.; Kelly, B.; Hernquist, L.; Hopkins, P.; Kulesa, C.; Li, Y.; Robertson, B.; Walker, C.

    2006-12-01

    Recent pioneering CO observations of infrared luminous galaxies and AGN at high-z allow us to study coevolution of black hole growth and star formation in galaxies during the heydey of massive galaxy formation. However, little is known concerning the physical nature of these crucial galaxies, and the relationship between the central AGN, ISM, and host galaxy properties to the observed CO emission. In order to provide a framework for an interpretation of these observations, I investigate the nature of the CO emission in starburst galaxies and quasars by combining a 3D non-LTE radiative transfer code with cosmological and galaxy merger hydrodynamic simulations. Here, I highlight recent results from these simulations. Specifically, I will discuss the following: 1. The effect of black hole growth and starbursts on CO emission patterns; 2. The role of galactic winds on CO emission morphologies and line profiles; 3. The nature of CO emission in z 6 Quasars, and how we might use this to constrain models of primordial galaxy formation.

  9. The Structure Of Post-Starburst Galaxies In The Early Universe

    NASA Astrophysics Data System (ADS)

    Maltby, David; Almaini, Omar; Wild, Vivienne

    2017-06-01

    Despite decades of study, we still do not fully understand why some massive galaxies abruptly switch off their star formation in the early Universe, and what causes their rapid transition to the red sequence. Post-starburst galaxies (PSBs) are key to understanding this transition phase, as they represent systems in which a major burst of star formation was rapidly quenched within the last Gyr. Recently, a new photometric PCA technique, has identified over 900 candidate PSBs in the UDS field at redshifts 0.5 to 2. In this conference poster, I present spectroscopic verification of this technique and demonstrate that 80% of the photometrically-selected PSB candidates show spectral signatures characteristic of this population. I also present results on the morphological structure of these galaxies, obtained from a combination of deep ground- and space-based imaging (UDS UKIRT-WFCAM and CANDELS HST-ACS/WFC3). Using both 2D-Sersic modelling and an independent isophotal analysis, I show that PSB galaxies at high redshift (z above 1) are surprisingly compact and spheroidal, while at lower redshifts they are more extended and disc-dominated. I also discuss what these results can tell us about the potential quenching mechanisms operating in this important transitional population at different epochs.

  10. BIMA CO Observations of the Starburst Nucleus of M82

    NASA Astrophysics Data System (ADS)

    Shen, Jianjun; Lo, K. Y.

    1995-04-01

    Observations with 2.5" (38 pc) resolution of the CO (J=1-0) emission from the starburst nucleus of M82, obtained with the Berkeley-Illinois-Maryland Association (BIMA) 6-element millimeter-wave array, have revealed unresolved (< 30 pc) structure in the CO emission with very high brightness temperature (up to 34 K). The new observations have also resolved the previously identified double lobe and central peak in the integrated CO intensity into many peaks that are all due to ``velocity crowding" of several velocity components. Most of the CO emitting gas could be located in molecular spiral arms at 125 pc and 390 pc from the nucleus. Outflow motion (approximately 230 km/s) of part of the molecular gas normal to the plane is also indicated. The new observations suggest that the starbursts took place within molecular spiral arms at some distance from the nucleus. The starbursts may in fact have propagated inwards. Given the substantial amount of dense molecular gas still present in the M82 starburst region, it is not clear why the starburst activity appears to have subsided.

  11. Dusty Starbursts within a z=3 Large Scale Structure revealed by ALMA

    NASA Astrophysics Data System (ADS)

    Umehata, Hideki; Tamura, Yoichi; Kohno, Kotaro

    2015-08-01

    We present the results of a series of ALMA observations in the SSA22 field. In this field a remarkable large-scale structure (across ~1 deg) has been found at z=3.09, which makes the field an unique laboratory to investigate galaxy formation and evolution at biased fields in the early universe. First we have conducted a 1.1 mm continuum follow-up of 45 SMGs discovered by the 1.1 mm AzTEC/ASTE survey with ALMA in its Cycle 1 (PI. Umehata). We have achieved 1σ sensitivity of 0.07 - 0.16 mJy/beam and angular resolution of 0.6″ to find 64 discrete sources with S/N ≥ 4.5. Second in ALMA Cycle 2 we have carried out a contiguous 2‧ × 3‧ mapping observation at 1.1 mm (PI. Umehata) achieved by 103 point mosaic. This ‘ALMA deep field’ reaches 1σ sensitivity of 0.066 - 0.070 mJy/beam for an entire field and have angular resolution of 0.5″, which allows us to detect dusty star-forming galaxies with SFRIR ~ 60 M⊙yr-1 (if we assume β=1.5, Tdust=40 K, and Chablier IMF) at z=3.09. On the basis of comparison with the results from general fields, it is suggested that SMGs preferentially reside in the most dense environment at z~3. Furthermore we find a rich cluster of X-ray luminous ALMA sources at the core of the proto-cluster composed of seven objects with spec-z/photo-z = 3.09. Our results indicate that environment can be a key factor on the formation of dusty starbursts and the growth of SMBHs within them.

  12. Starburst galaxies

    NASA Technical Reports Server (NTRS)

    Weedman, Daniel W.

    1987-01-01

    The infrared properties of star-forming galaxies, primarily as determined by the Infrared Astronomy Satellite (IRAS), are compared to X-ray, optical, and radio properties. Luminosity functions are reviewed and combined with those derived from optically discovered samples using 487 Markarian galaxies with redshifts and published IRAS 60 micron fluxes, and 1074 such galaxies in the Center for Astrophysics redshift survey. It is found that the majority of infrared galaxies which could be detected are low luminosity sources already known from the optical samples, but non-infrared surveys have found only a very small fraction of the highest luminosity sources. Distributions of infrared to optical fluxes and available spectra indicate that the majority of IRAS-selected galaxies are starburst galaxies. Having a census of starburst galaxies and associated dust allow severl important global calculations. The source counts are predicted as a function of flux limits for both infrared and radio fluxes. These galaxies are found to be important radio sources at faint flux limits. Taking the integrated flux to z = 3 indicates that such galaxies are a significant component of the diffuse X-ray background, and could be the the dominant component depending on the nature of the X-ray spectra and source evolution.

  13. Molecular gas in low-metallicity starburst galaxies:. Scaling relations and the CO-to-H2 conversion factor

    NASA Astrophysics Data System (ADS)

    Amorín, R.; Muñoz-Tuñón, C.; Aguerri, J. A. L.; Planesas, P.

    2016-04-01

    Context. Tracing the molecular gas-phase in low-mass star-forming galaxies becomes extremely challenging due to significant UV photo-dissociation of CO molecules in their low-dust, low-metallicity ISM environments. Aims: We aim to study the molecular content and the star-formation efficiency of a representative sample of 21 blue compact dwarf galaxies (BCDs), previously characterized on the basis of their spectrophotometric properties. Methods: We present CO (1-0) and (2-1) observations conducted at the IRAM-30m telescope. These data are further supplemented with additional CO measurements and multiwavelength ancillary data from the literature. We explore correlations between the derived CO luminosities and several galaxy-averaged properties. Results: We detect CO emission in seven out of ten BCDs observed. For two galaxies these are the first CO detections reported so far. We find the molecular content traced by CO to be correlated with the stellar and Hi masses, star formation rate (SFR) tracers, the projected size of the starburst, and its gas-phase metallicity. BCDs appear to be systematically offset from the Schmidt-Kennicutt (SK) law, showing lower average gas surface densities for a given ΣSFR, and therefore showing extremely low (≲0.1 Gyr) H2 and H2 +Hi depletion timescales. The departure from the SK law is smaller when considering H2 +Hi rather than H2 only, and is larger for BCDs with lower metallicity and higher specific SFR. Thus, the molecular fraction (ΣH2/ ΣHI) and CO depletion timescale (ΣH2/ ΣSFR) of BCDs is found to be strongly correlated with metallicity. Using this, and assuming that the empirical correlation found between the specific SFR and galaxy-averaged H2 depletion timescale of more metal-rich galaxies extends to lower masses, we derive a metallicity-dependent CO-to-H2 conversion factor αCO,Z ∝ (Z/Z⊙)- y, with y = 1.5(±0.3)in qualitative agreement with previous determinations, dust-based measurements, and recent model

  14. The Molecular Clouds Fueling A 1/5 Solar Metallicity Starburst

    NASA Astrophysics Data System (ADS)

    Kepley, Amanda A.; Leroy, Adam K.; Johnson, Kelsey E.; Sandstrom, Karin; Chen, C.-H. Rosie

    2016-09-01

    Using the Atacama Large Millimeter/submillimeter Array, we have made the first high spatial and spectral resolution observations of the molecular gas and dust in the prototypical blue compact dwarf galaxy II Zw 40. The {}12{CO}(2-1) and {}12{CO}(3-2) emission is clumpy and distributed throughout the central star-forming region. Only one of eight molecular clouds has associated star formation. The continuum spectral energy distribution is dominated by free-free and synchrotron; at 870 μm, only 50% of the emission is from dust. We derive a CO-to-H2 conversion factor using several methods, including a new method that uses simple photodissocation models and resolved CO line intensity measurements to derive a relationship that uniquely predicts {α }{co} for a given metallicity. We find that the CO-to-H2 conversion factor is 4-35 times that of the Milky Way (18.1-150.5 {M}⊙ {({{K}}{km}{{{s}}}-1{{pc}}2)}-1). The star formation efficiency of the molecular gas is at least 10 times higher than that found in normal spiral galaxies, which is likely due to the burst-dominated star formation history of II Zw 40 rather than an intrinsically higher efficiency. The molecular clouds within II Zw 40 resemble those in other strongly interacting systems like the Antennae: overall they have high size-linewidth coefficients and molecular gas surface densities. These properties appear to be due to the high molecular gas surface densities produced in this merging system rather than to increased external pressure. Overall, these results paint a picture of II Zw 40 as a complex, rapidly evolving system whose molecular gas properties are dominated by the large-scale gas shocks from its ongoing merger.

  15. THE OPTICAL STRUCTURE OF THE STARBURST GALAXY M82. II. NEBULAR PROPERTIES OF THE DISK AND INNER WIND

    SciTech Connect

    Westmoquette, M. S.; Smith, L. J.; Konstantopoulos, I. S.; Gallagher, J. S.; Trancho, G.

    2009-12-01

    and wind sources provides an ideal environment for broad line emission, and explains the large observed broad/narrow-line flux ratios. We have examined in more detail the discrete outflow channel identified within the inner wind in Paper I. The channel appears as a coherent, expanding cylindrical structure of length >120 pc and width 35-50 pc. The walls maintain an approximately constant (but subsonic) expansion velocity of approx60 km s{sup -1}, and are defined by peaks and troughs in the densities of the different line components. We hypothesize that as the hot wind fluid flows down the channel cavity, it interacts with the cooler, denser walls of the channel and with entrained material within the flow to produce broad-line emission, while the walls themselves emit primarily the narrow lines. We use the channel to examine further the relationship between the narrow and broad component emitting gas within the inner wind. Within the starburst energy injection zone, we find that turbulent motions (as traced by the broad component) appear to play an increasing role with height. Finally, we have argued that a point-like knot identified in GMOS position 4, exhibiting blueshifted (by approx140 km s{sup -1}), broad (approx<350 km s{sup -1}) Halpha emission and enhanced [S II]/Halpha and [N II]/Halpha ratios, is most likely an ejected luminous blue variable-type object.

  16. Space Observations of Starburst Galaxies

    NASA Technical Reports Server (NTRS)

    Heckman, Timothy M.; Leitherer, Claus

    1997-01-01

    Led by JHU postdoc Gerhardt Meurer, we completed our analysis of far-UV HST FOC images of nine nearby starbursts. We have been able to delineate the structure of the regions in which the unusually vigorous star-formation is occurring (Meurer et al 1995). At 0.1 arcsec (2 to 20 pc) resolution, the starbursts are resolved into multiple clumps and bright star clusters distributed over a region several hundred pc to a few kpc in size. This suggests that compact sites of star-formation may propagate from place to place within a larger central gas reservoir over the duration of the burst. The UV and optical properties of these clusters suggest that they may correspond to newly 'minted' globular clusters. These clusters typically produce about 10% to 50% of the far-UV light, and are preferentially located in the heart of the starburst, where the background UV surface brightness is highest. Thus, massive star cluster (globular cluster?) formation is a fundamental part of the starburst phenomenon. This confirms and generalizes the results of Whitmore et al (1993). Our starburst images are also being compared to our recent analysis of the HST FOC image of R136 in the LMC (De Marchi et al 1993). We have also extended our results on the UV photometric structure of starbursts to star-forming galaxies in the early universe (Meurer et al 1997). We show that the most actively- star-forming galaxies at all redshifts seem to have approximately the same bolometric surface-brightness, and that the high redshift galaxies may be larger and more luminous versions of local starbursts.

  17. Starburst models of merging galaxies

    NASA Technical Reports Server (NTRS)

    Prestwich, Andrea H.

    1993-01-01

    In the past decade, infrared observations have shown that interacting and merging galaxies have higher luminosities than isolated systems, with the luminosities in mergers as high as 10(exp 12) solar luminosity. However, the origin of the luminosity found in mergers is controversial, with two main competing theories. The first is the starburst scenario. As two gas rich galaxies start to merge, cloud-cloud collisions induce fast shocks in the molecular gas. This gas cools, collapses, and fragments, producing a blast of star formation. The main rival to this theory is that the infrared luminosity is produced by a dust embedded active nucleus, the merger of two gas rich galaxies providing the 'fuel to feed the monster'. There has even been speculation that there is an evolutionary link between starbursts and active nuclei, and that possibly active galactic nuclei (AGN's) and QSO's were formed from a starburst. Assuming that the infrared luminosity in merging galaxies is due to star formation, there should be ionizing photons produced from the high mass stars, giving rise to recombination line emission. The objective is to use a simple starburst model to test the hypothesis that the extreme infrared luminosity of merging galaxies is due to a starburst.

  18. Starburst Channels

    NASA Technical Reports Server (NTRS)

    2007-01-01

    [figure removed for brevity, see original site] Figure 1

    Translucent carbon dioxide ice covers the polar regions of Mars seasonally. It is warmed and sublimates (evaporates) from below, and escaping gas carves a numerous channel morphologies.

    In this example (figure 1) the channels form a 'starburst' pattern, radiating out into feathery extensions. The center of the pattern is being buried with dust and new darker dust fans ring the outer edges. This may be an example of an expanding morphology, where new channels are formed as the older ones fill and are no longer efficiently channeling the subliming gas out.

    Observation Geometry Image PSP_003443_0980 was taken by the High Resolution Imaging Science Experiment (HiRISE) camera onboard the Mars Reconnaissance Orbiter spacecraft on 21-Apr-2007. The complete image is centered at -81.8 degrees latitude, 76.2 degrees East longitude. The range to the target site was 247.1 km (154.4 miles). At this distance the image scale is 24.7 cm/pixel (with 1 x 1 binning) so objects 74 cm across are resolved. The image shown here has been map-projected to 25 cm/pixel. The image was taken at a local Mars time of 04:52 PM and the scene is illuminated from the west with a solar incidence angle of 71 degrees, thus the sun was about 19 degrees above the horizon. At a solar longitude of 223.4 degrees, the season on Mars is Northern Autumn.

  19. Starburst Channels

    NASA Technical Reports Server (NTRS)

    2007-01-01

    [figure removed for brevity, see original site] Figure 1

    Translucent carbon dioxide ice covers the polar regions of Mars seasonally. It is warmed and sublimates (evaporates) from below, and escaping gas carves a numerous channel morphologies.

    In this example (figure 1) the channels form a 'starburst' pattern, radiating out into feathery extensions. The center of the pattern is being buried with dust and new darker dust fans ring the outer edges. This may be an example of an expanding morphology, where new channels are formed as the older ones fill and are no longer efficiently channeling the subliming gas out.

    Observation Geometry Image PSP_003443_0980 was taken by the High Resolution Imaging Science Experiment (HiRISE) camera onboard the Mars Reconnaissance Orbiter spacecraft on 21-Apr-2007. The complete image is centered at -81.8 degrees latitude, 76.2 degrees East longitude. The range to the target site was 247.1 km (154.4 miles). At this distance the image scale is 24.7 cm/pixel (with 1 x 1 binning) so objects 74 cm across are resolved. The image shown here has been map-projected to 25 cm/pixel. The image was taken at a local Mars time of 04:52 PM and the scene is illuminated from the west with a solar incidence angle of 71 degrees, thus the sun was about 19 degrees above the horizon. At a solar longitude of 223.4 degrees, the season on Mars is Northern Autumn.

  20. A molecular Einstein ring: imaging a starburst disk surrounding a quasi-stellar object.

    PubMed

    Carilli, C L; Lewis, G F; Djorgovski, S G; Mahabal, A; Cox, P; Bertoldi, F; Omont, A

    2003-05-02

    Images of the molecular CO 2-1 line emission and the radio continuum emission from the redshift 4.12 gravitationally lensed quasi-stellar object (QSO) PSS J2322+1944 reveal an Einstein ring with a diameter of 1.5". These observations are modeled as a star-forming disk surrounding the QSO nucleus with a radius of 2 kiloparsecs. The implied massive star formation rate is 900 solar masses per year. At this rate, a substantial fraction of the stars in a large elliptical galaxy could form on a dynamical time scale of 108 years. The observation of active star formation in the host galaxy of a high-redshift QSO supports the hypothesis of coeval formation of supermassive black holes and stars in spheroidal galaxies.

  1. Starbursts and their dynamics

    NASA Technical Reports Server (NTRS)

    Norman, Colin

    1987-01-01

    Detailed mechanisms associated with dynamical process occurring in starburst galaxies are considered including the role of bars, waves, mergers, sinking satellites, self gravitating gas and bulge heating. The current understanding of starburst galaxies both observational and theoretical is placed in the context of theories of galaxy formations, Hubble sequence evolution, starbursts and activity, and the nature of quasar absorption lines.

  2. Optical and Near Infrared studies of the photometric structure and starburst activity of Blue Compact Dwarf Galaxies

    NASA Astrophysics Data System (ADS)

    Noeske, K. G.

    2003-03-01

    This thesis describes three studies of Blue Compact Dwarf Galaxies (BCDs), focussed on the structure of the stellar components, the star-forming activity, and the environment of such galaxies, as well as the physical background of their morphological variety. The analysis of deep Near Infrared (NIR) image data of a significant sample of BCDs allows to study the evolved stellar low surface brightness (LSB) components of BCDs more precisely than previous studies at visible wavelengths. Azimuthally averaged radial surface brightness profiles (SBPs) show an exponential intensity distribution of the stellar LSB components at large galactocentric radii. This result, along with the derived exponential scale lengths which are systematically smaller than those of dwarf Irregular and dwarf Elliptical galaxies, agrees with previous optical studies. Towards smaller radii, however, the NIR data reveal an inwards-flattening of the SBPs of the stellar LSB components with respect to their outer exponential slopes in more than half of the BCDs under study. Such inwards-flattening exponential SBPs are frequent in dwarf Irregulars and dwarf Ellipticals, but were hitherto largely undiscovered in the stellar hosts of BCDs. The physical origin of such SBPs in dwarf galaxies is to date not understood. Empirical approaches to their systematization and quantitative investigation are discussed, along with the various implications of the discovery of such SBPs in many BCDs for the understanding of such galaxies. Based on the derived structural information on the stellar LSB components and the starburst components, the hypothesis is raised that below a certain threshold density of the stellar LSB component, of the order of 0.4 solar masses per cubic parsec, burst-like star formation does not occur in gas-rich dwarf galaxies. On this hypothesis, the observed relations between the structure of the stellar LSB components of BCDs and their luminosity can be reproduced, as well as the systematic

  3. Star formation quenching in high-redshift large-scale structure: post-starburst galaxies in the Cl 1604 supercluster at z ∼ 0.9

    SciTech Connect

    Wu, Po-Feng; Gal, Roy R.; Lemaux, Brian C.; Kocevski, Dale D.; Lubin, Lori M.; Rumbaugh, Nicholas; Squires, Gordon K.

    2014-09-01

    The Cl 1604 supercluster at z ∼ 0.9 is one of the most extensively studied high-redshift large-scale structures, with more than 500 spectroscopically confirmed members. It consists of eight clusters and groups, with members numbering from a dozen to nearly a hundred, providing a broad range of environments for investigating the large-scale environmental effects on galaxy evolution. Here we examine the properties of 48 post-starburst galaxies in Cl 1604, comparing them to other galaxy populations in the same supercluster. Incorporating photometry from ground-based optical and near-infrared imaging, along with Spitzer mid-infrared observations, we derive stellar masses for all Cl 1604 members. The colors and stellar masses of the K+A galaxies support the idea that they are progenitors of red sequence galaxies. Their morphologies, residual star formation rates, and spatial distributions suggest that galaxy mergers may be the principal mechanism producing post-starburst galaxies. Interaction between galaxies and the dense intracluster medium (ICM) is also effective, but only in the cores of dynamically evolved clusters. The prevalence of post-starburst galaxies in clusters correlates with the dynamical state of the host cluster, as both galaxy mergers and the dense ICM produce post-starburst galaxies. We also investigate the incompleteness and contamination of K+A samples selected by means of Hδ and [O II] equivalent widths. K+A samples may be up to ∼50% incomplete due to the presence of LINERs/Seyferts, and up to ∼30% of K+A galaxies could have substantial star formation activity.

  4. Star Formation Quenching in High-redshift Large-scale Structure: Post-starburst Galaxies in the Cl 1604 Supercluster at z ~ 0.9

    NASA Astrophysics Data System (ADS)

    Wu, Po-Feng; Gal, Roy R.; Lemaux, Brian C.; Kocevski, Dale D.; Lubin, Lori M.; Rumbaugh, Nicholas; Squires, Gordon K.

    2014-09-01

    The Cl 1604 supercluster at z ~ 0.9 is one of the most extensively studied high-redshift large-scale structures, with more than 500 spectroscopically confirmed members. It consists of eight clusters and groups, with members numbering from a dozen to nearly a hundred, providing a broad range of environments for investigating the large-scale environmental effects on galaxy evolution. Here we examine the properties of 48 post-starburst galaxies in Cl 1604, comparing them to other galaxy populations in the same supercluster. Incorporating photometry from ground-based optical and near-infrared imaging, along with Spitzer mid-infrared observations, we derive stellar masses for all Cl 1604 members. The colors and stellar masses of the K+A galaxies support the idea that they are progenitors of red sequence galaxies. Their morphologies, residual star formation rates, and spatial distributions suggest that galaxy mergers may be the principal mechanism producing post-starburst galaxies. Interaction between galaxies and the dense intracluster medium (ICM) is also effective, but only in the cores of dynamically evolved clusters. The prevalence of post-starburst galaxies in clusters correlates with the dynamical state of the host cluster, as both galaxy mergers and the dense ICM produce post-starburst galaxies. We also investigate the incompleteness and contamination of K+A samples selected by means of Hδ and [O II] equivalent widths. K+A samples may be up to ~50% incomplete due to the presence of LINERs/Seyferts, and up to ~30% of K+A galaxies could have substantial star formation activity.

  5. EVOLVING STARBURST MODELING OF FAR-INFRARED/SUBMILLIMETER/MILLIMETER LINE EMISSION. II. APPLICATION TO M 82

    SciTech Connect

    Yao Lihong

    2009-11-01

    We present starburst models for far-infrared/sub-millimeter/millimeter line emission of molecular and atomic gas in an evolving starburst region, which is treated as an ensemble of noninteracting hot bubbles that drive spherical shells of swept-up gas into a surrounding uniform gas medium. These bubbles and shells are driven by stellar winds and supernovae within massive star clusters formed during an instantaneous starburst. The underlying stellar radiation from the evolving clusters affects the properties and structure of photodissociation regions (PDRs) in the shells, and hence the spectral energy distributions (SEDs) of the molecular and atomic line emission from these swept-up shells and the associated parent giant molecular clouds contain a signature of the stage of evolution of the starburst. The physical and chemical properties of the shells and their structure are computed using a simple, well-known similarity solution for the shell expansion, a stellar population synthesis code, and a time-dependent PDR chemistry model. The SEDs for several molecular and atomic lines ({sup 12}CO and its isotope {sup 13}CO, HCN, HCO{sup +}, C, O, and C{sup +}) are computed using a nonlocal thermodynamic equilibrium line radiative transfer model. By comparing our models with the available observed data of nearby infrared bright galaxies, especially M 82, we constrain the models and in the case of M 82, we provide estimates for the ages (5-6 Myr, 10 Myr) of recent starburst activity. We also derive a total H{sub 2} gas mass of approx(2-3.4) x 10{sup 8} M {sub sun} for the observed regions of the central 1 kpc starburst disk of M 82.

  6. Infrared supernovae in starbursts

    SciTech Connect

    Van Buren, D.; Norman, C.A.

    1989-01-01

    The problem of uniquely confirming that the luminosity source of starburst galaxies is a young population of massive stars is considered. Unambiguous detection of the supernova explosion associated with a massive stellar population would provide proof of the starburst hypothesis. High spatial resolution narrow-band infrared imaging of starburst galaxies directly detects the cobalt synthesized in Type II supernova explosions. Coupled with observations of other infrared lines and continuum, progenitor masses can be at least roughly estimated. A statistically large sample of starburst supernovae will lead to an average starburst initial mass function. Standard candles can also be constructed, based on both individual and populations of supernovae. With current and planned instruments, K-band can be found out to cosmological distances. 27 references.

  7. THE OPTICAL STRUCTURE OF THE STARBURST GALAXY M82. I. DYNAMICS OF THE DISK AND INNER-WIND

    SciTech Connect

    Westmoquette, M. S.; Smith, L. J.; Konstantopoulos, I. S.; Gallagher, J. S.; Trancho, G.

    2009-05-01

    We present Gemini-North GMOS-IFU observations of the central starburst clumps and inner wind of M82, together with WIYN DensePak IFU observations of the inner 2 x 0.9 kpc of the disk. These cover the emission lines of H{alpha}, [N II], [S II], and [S III] at a spectral resolution of 45-80 km s{sup -1}. The high signal-to-noise of the data is sufficient to accurately decompose the emission line profiles into multiple narrow components (FWHM {approx} 30-130 km s{sup -1}) superimposed on a broad (FWHM {approx} 150-350 km s{sup -1}) feature. This paper is the first of a series examining the optical structure of M82's disk and inner wind; here we focus on the ionized gaseous and stellar dynamics and present maps of the relevant emission line properties. Our observations show that ionized gas in the starburst core of M82 is dynamically complex with many overlapping expanding structures located at different radii. Localised line splitting of up to 100 km s{sup -1} in the narrow component is associated with expanding shells of compressed, cool, photoionized gas at the roots of the superwind outflow. We have been able to associate some of this inner-wind gas with a distinct outflow channel characterised by its dynamics and gas density patterns, and we discuss the consequences of this discovery in terms of the developing wind outflow. The broad optical emission line component is observed to become increasingly important moving outward along the outflow channel, and in general with increasing height above/below the plane. Following our recent work on the origins of this component, we associate it with turbulent gas in wind-clump interface layers and hence sites of mass loading, meaning that the turbulent mixing of cooler gas into the outflowing hot gas must become increasingly important with height, and provides powerful direct evidence for the existence of mass-loading over a large, spatially extended area reaching far into the inner wind. We discuss the consequences and

  8. Modelling the vertical structure of nuclear starburst discs: a possible source of AGN obscuration at z ˜ 1

    NASA Astrophysics Data System (ADS)

    Gohil, R.; Ballantyne, D. R.

    2017-07-01

    Nuclear starburst discs (NSDs) are star-forming discs that may be residing in the nuclear regions of active galaxies at intermediate redshifts. One-dimensional (1D) analytical models developed by Thompson, Quataert and Murray show that these discs can possess an inflationary atmosphere when dust is sublimated on parsec scales. This makes NSDs a viable source for active galactic nucleus (AGN) obscuration. We model the two-dimensional (2D) structure of NSDs using an iterative method in order to compute the explicit vertical solutions for a given annulus. These solutions satisfy energy and hydrostatic balance, as well as the radiative transfer equation. In comparison to the 1D model, the 2D calculation predicts a less extensive expansion of the atmosphere by orders of magnitude at the parsec/sub-parsec scale, but the new scaleheight h may still exceed the radial distance R for various physical conditions. A total of 192 NSD models are computed across the input parameter space in order to predict distributions of a line-of-sight column density NH. Assuming a random distribution of input parameters, the statistics yield 56 per cent of Type 1, 23 per cent of Compton-thin Type 2s (CN) and 21 per cent of Compton-thick (CK) AGNs. Depending on the viewing angle (θ) of a particular NSD (fixed physical conditions), any central AGN can appear to be Type 1, CN or CK, which is consistent with the basic unification theory of AGNs. Our results show that log [NH(cm- 2)] ∈ [23,25.5] can be oriented at any angle θ from 0° to ≈80° due to the degeneracy in the input parameters.

  9. Exploring the Vertical Structure of Nuclear Starburst Disks: A Possible Source of AGN Obscuration at Redshift ~ 1

    NASA Astrophysics Data System (ADS)

    Gohil, Raj; Ballantyne, David R.

    2017-01-01

    Nuclear starburst disks (NSDs) are star-forming regions that could be present at high redshift (z~1) in the vicinity of active galactic nuclei (AGNs). One dimensional analytical models by Thompson et al. (2005) show that, under certain conditions, these disks can be geometrically thick on parsec scales which make them a possible source for AGN obscuration. We construct a 2D model of NSDs where an iterative method is used to obtain vertical solutions for a given annulus. These solutions coherently satisfy the equations of energy balance, hydrostatic, radiative transfer, and the Toomre stability criteria. In comparison to 1D model, a more robust 2D calculation shows the higher scale-height at the outer part of a NSD, but predicts a lower expansion of an atmosphere at the parsec/sub-parsec scale. A total of 96 NSD models are computed under various physical conditions (black hole mass, size of a disk, and a gas fraction) in order to predict the column density distribution along a line of sight. Assuming a random distribution of input parameters, the statistics yield 59% of Type 1, 24% of Compton-thin (CTN), and 17% of Compton-thick (CTK) AGNs. The distribution of obscured AGNs fraction peaks near NH = 1023.5 cm-2. Depending on a viewing angle (θ) of a given NSD, the line of sight NH can vary from 1022 to 1028 cm-2. This supports the unification theory of AGNs as our results show an AGN can appear to be obscured by a CTK (NH > 1024 cm-2) or CTN (1022 cm-2< NH < 1024 cm-2) gas depending on a viewing angle. Using 2D structure, we show any θ is possible for CTN AGNs; however, the maximum allowed θ for CTK AGN is restricted to approximately 60 degrees.

  10. Evolution of Dense Gas with Starburst Age: When Star Formation Versus Dense Gas Relations Break Down

    NASA Astrophysics Data System (ADS)

    Meier, David S.; Turner, J. L.; Schinnerer, E.

    2011-05-01

    Dense gas correlates well with star formation on kpc scales. On smaller scales, motions of individual clouds become comparable to the 100 Myr ages of starbursts. One then expects the star formation rate vs. dense gas relations to break down on giant molecular cloud scales. We exploit this to study the evolutionary history of nuclear starburst in the nearby spiral, IC 342. Maps of the J=5-4 and 16-15 transitions of dense gas tracer HC3N at 20 pc resolution made with the VLA and the Plateau de Bure interferometer are presented. The 5-4 line of HC3N traces very dense gas in the cold phase, while the 16-15 transition traces warm, dense gas. These reveal changes in dense cloud structure on scales of 30 pc among clouds with star formation histories differing by only a few Myrs. HC3N emission does not correlate well with young star formation at these high spatial resolutions, but gas excitation does. The cold, dense gas extends well beyond the starburst region implying large amounts of dense quiescent gas not yet actively forming stars. Close to the starburst the high excitation combined with faint emission indicates that the immediate (30 pc) vicinity of the starburst lacks large masses of very dense gas and has high dense gas star formation efficiencies. The dense gas appears to be in pressure equilibrium with the starburst. We propose a scenario where the starburst is being caught in the act of dispersing or destroying the dense gas in the presence of the expanding HII region. This work is supported by the NSF through NRAO and grant AST-1009620.

  11. Dusty Starbursts within a z=3 Large Scale Structure revealed by ALMA

    NASA Astrophysics Data System (ADS)

    Umehata, Hideki

    The role of the large-scale structure is one of the most important theme in studying galaxy formation and evolution. However, it has been still mystery especially at z>2. On the basis of our ALMA 1.1 mm observations in a z ~ 3 protocluster field, it is suggested that submillimeter galaxies (SMGs) preferentially reside in the densest environment at z ~ 3. Furthermore we find a rich cluster of AGN-host SMGs at the core of the protocluster, combining with Chandra X-ray data. Our results indicate the vigorous star-formation and accelerated super massive black hole (SMBH) growth in the node of the cosmic web.

  12. Starburst Galaxy NGC 3310

    NASA Image and Video Library

    1999-12-07

    Scientists using NASA Hubble Space Telescope are studying the colors of star clusters to determine the age and history of starburst galaxies, a technique somewhat similar to the process of learning the age of a tree by counting its rings.

  13. NGC 1614: A Laboratory for Starburst Evolution

    NASA Technical Reports Server (NTRS)

    Alonso-Herrero, A.; Engelbracht, C. W.; Rieke, M. J.; Rieke, G. H.; Quillen, A. C.

    2000-01-01

    The modest extinction and reasonably face-on viewing geometry make the luminous infrared galaxy NGC 1614 an ideal laboratory for study of a powerful starburst. HST/NICMOS observations show: (1) deep CO stellar absorption, tracing a starburst nucleus about 45 pc in diameter; (2) surrounded by an approx. 600 pc diameter ring of supergiant H II regions revealed in Pa-alpha line emission; (3) lying within a molecular ring indicated by its extinction shadow in H - K; and (4) all at the center of a disturbed spiral galaxy. The luminosities of the giant H II regions in the ring axe extremely high, an order of magnitude brighter than 30 Doradus; very luminous H II regions, comparable with 30 Dor, are also found in the spiral arms of the galaxy. Luminous stellar clusters surround the nucleus and lie in the spiral arms, similar to clusters observed in other infrared luminous and ultraluminous galaxies. The star forming activity may have been initiated by a merger between a disk galaxy and a companion satellite, whose nucleus appears in projection about 300 pc to the NE of the nucleus of the primary galaxy. The relation of deep stellar CO bands to surrounding ionized gas ring to molecular gas indicates that the luminous starburst started in the nucleus and is propagating outward into the surrounding molecular ring. This hypothesis is supported by evolutionary starburst modeling that shows that the properties of NGC 1614 can be fitted with two short-lived bursts of star formation separated by 5 Myr (and by inference by a variety of models with a similar duration of star formation). The total dynamical mass of the starburst region of 1.3 x 10(exp 9) solar masses is mostly accounted for by the old pre-starburst stellar population. Although our starburst models use a modified Salpeter initial mass function (turning over near one solar mass), the tight mass budget suggests that the IMF may contain relatively more 10 - 30 solar masses stars and fewer low mass stars than the

  14. Uv Imaging of Circumnuclear Starburst Rings

    NASA Astrophysics Data System (ADS)

    Colina, Luis

    1996-07-01

    We propose to obtain F218W WFPC images of a well defined sample of nearby galaxies with face-on circumnuclear starburst rings, and covering different levels of activity from pure starbursts to Seyfert 1 {AGNs}. These high resolution images will allow to generate for the first time an homogeneous database with the UV properties of about 60 individual circumnuclear star-forming knots. The use of the database will allow for the first time a direct and quantitative determination of basic ultraviolet properties of individual nuclear/circumnuclear star-forming knots, and of the entire starburst ring, such as: {a} their size and structure, {b} their UV luminosity function and, {c} their contribution to the UV energy output in composite AGN+starburst galaxies. The database will help in our understanding of high redshift blue galaxies, thought to be star-forming galaxies, where the flux detected in optical filters corresponds to flux emitted at UV {1500-3000Angstrom} rest frame wavelengths. The requested UV images will be combined with ROSAT/HRI images to characterize for the first time the high energy end, i.e. UV to soft X-rays, of circumnuclear starburst rings.

  15. Neutral carbon and CO in 76 (U)LIRGs and starburst galaxy centers. A method to determine molecular gas properties in luminous galaxies

    NASA Astrophysics Data System (ADS)

    Israel, F. P.; Rosenberg, M. J. F.; van der Werf, P.

    2015-06-01

    In this paper we present fluxes in the [ CI ] lines of neutral carbon at the centers of some 76 galaxies with far-infrared luminosities ranging from 109 to 1012L⊙, as obtained with the Herschel Space Observatory and ground-based facilities, along with the line fluxes of the J = 7-6, J = 4-3, J = 2-112CO, and J = 2-113CO transitions. With this dataset, we determine the behavior of the observed lines with respect to each other and then investigate whether they can be used to characterize the molecular interstellar medium (ISM) of the parent galaxies in simple ways and how the molecular gas properties define the model results. In most starburst galaxies, the [ CI ] to 13CO line flux ratio is much higher than in Galactic star-forming regions, and it is correlated to the total far-infrared luminosity. The [ CI ] (1-0)/12CO (4-3), the [ CI ] (2-1)/12CO (7-6), and the [ CI ] (2-1)/(1-0) flux ratios are correlated, and they trace the excitation of the molecular gas. In the most luminous infrared galaxies (LIRGs), the ISM is fully dominated by dense (n( H2) = 104-105 cm-3) and moderately warm (Tkin ≈ 30 K) gas clouds that appear to have low [C°]/[CO] and [13CO]/[12CO] abundances. In less luminous galaxies, emission from gas clouds at lower densities becomes progressively more important, and a multiple-phase analysis is required to determine consistent physical characteristics. Neither the 12CO nor the [ CI ] velocity-integrated line fluxes are good predictors of molecular hydrogen column densities in individual galaxies. In particular, so-called X( [ CI ]) conversion factors are not superior to X( 12CO) factors. The methods and diagnostic diagrams outlined in this paper also provide a new and relatively straightforward means of deriving the physical characteristics of molecular gas in high-redshift galaxies up to z = 5, which are otherwise hard to determine.

  16. The IMACS Cluster Building Survey. V. Further Evidence for Starburst Recycling from Quantitative Galaxy Morphologies

    NASA Astrophysics Data System (ADS)

    Abramson, Louis E.; Dressler, Alan; Gladders, Michael D.; Oemler, Augustus, Jr.; Poggianti, Bianca M.; Monson, Andrew; Persson, Eric; Vulcani, Benedetta

    2013-11-01

    Using J- and K s-band imaging obtained as part of the IMACS Cluster Building Survey (ICBS), we measure Sérsic indices for 2160 field and cluster galaxies at 0.31 < z < 0.54. Using both mass- and magnitude-limited samples, we compare the distributions for spectroscopically determined passive, continuously star-forming, starburst, and post-starburst systems and show that previously established spatial and statistical connections between these types extend to their gross morphologies. Outside of cluster cores, we find close structural ties between starburst and continuously star-forming, as well as post-starburst and passive types, but not between starbursts and post-starbursts. These results independently support two conclusions presented in Paper II of this series: (1) most starbursts are the product of a non-disruptive triggering mechanism that is insensitive to global environment, such as minor mergers; (2) starbursts and post-starbursts generally represent transient phases in the lives of "normal" star-forming and quiescent galaxies, respectively, originating from and returning to these systems in closed "recycling" loops. In this picture, spectroscopically identified post-starbursts constitute a minority of all recently terminated starbursts, largely ruling out the typical starburst as a quenching event in all but the densest environments. Data were obtained using the 6.5 m Magellan Telescopes at Las Campanas Observatory, Chile.

  17. Understanding molecular structure from molecular mechanics.

    PubMed

    Allinger, Norman L

    2011-04-01

    Molecular mechanics gives us a well known model of molecular structure. It is less widely recognized that valence bond theory gives us structures which offer a direct interpretation of molecular mechanics formulations and parameters. The electronic effects well-known in physical organic chemistry can be directly interpreted in terms of valence bond structures, and hence quantitatively calculated and understood. The basic theory is outlined in this paper, and examples of the effects, and their interpretation in illustrative examples is presented.

  18. The Chemical Evolution of Starbursts

    NASA Astrophysics Data System (ADS)

    Martín, S.

    2009-10-01

    The chemistry observed in the central region of galaxies is expected to be strongly influenced by the type of nuclear activity (i.e. SB and/or AGN). During the last few years, our understanding of the molecular composition of the extragalactic nuclear ISM has stepped forward thanks to the increased sensitivity of the instruments operating in the mm and sub-mm wavelength. A total of 40 molecular species have been detected outside the Milky Way. However, to make sense of the rapidly increasing extragalactic molecular information, finding the best tracers of the different nuclear activity is of key importance to understand the processes taking place in the most obscured regions of galactic nuclei. I present a summary of the latest results in extragalactic chemistry. Special attention will be paid to the different diagnostic diagrams proposed to disentangle the SB vs. AGN contribution based on the ratios between CO, HCN, and HCO^+, as well as those proposed to define a sequence within the nuclear starburst evolution through the observation of the HNCO/CS ratio, found to be highly contrasted among starburst nuclei. I also discuss the potential of spectral line surveys as a step forward in the understanding the chemistry of extragalactic sources. Recent results of ongoing line surveys both in single-dish (IRAM 30m) and aperture synthesis telescopes (SMA) will be presented. The advent of a new generation of sensitive instruments such as ALMA in the nearby future will offer us the possibility of disentangling the chemical composition of AGN and SB which will be essential to understand the chemistry of the highly obscured nuclei at high redshifts.

  19. Karl G. Jansky very large array observations of cold dust and molecular gas in starbursting quasar host galaxies at z ∼ 4.5

    SciTech Connect

    Wagg, J.; Carilli, C. L.; Lentati, L.; Maiolino, R.; Hills, R.; Aravena, M.; Cox, P.; McMahon, R. G.; Riechers, D.; Walter, F.; Andreani, P.; Wolfe, A.

    2014-03-10

    We present Karl G. Jansky Very Large Array (VLA) observations of 44 GHz continuum and CO J = 2-1 line emission in BRI 1202–0725 at z = 4.7 (a starburst galaxy and quasar pair) and BRI 1335–0417 at z = 4.4 (also hosting a quasar). With the full 8 GHz bandwidth capabilities of the upgraded VLA, we study the (rest-frame) 250 GHz thermal dust continuum emission for the first time along with the cold molecular gas traced by the low-J CO line emission. The measured CO J = 2-1 line luminosities of BRI 1202–0725 are L{sub CO}{sup ′}=(8.7±0.8)×10{sup 10} K km s{sup –1} pc{sup 2} and L{sub CO}{sup ′}=(6.0 ± 0.5)×10{sup 10} K km s{sup –1} pc{sup 2} for the submillimeter galaxy (SMG) and quasar, respectively, which are equal to previous measurements of the CO J = 5-4 line luminosities implying thermalized line emission, and we estimate a combined cold molecular gas mass of ∼9×10{sup 10} M {sub ☉}. In BRI 1335–0417 we measure L{sub CO}{sup ′}=(7.3±0.6)×10{sup 10} K km s{sup –1} pc{sup 2}. We detect continuum emission in the SMG BRI 1202–0725 North (S {sub 44} {sub GHz} = 51 ± 6 μJy), while the quasar is detected with S {sub 44} {sub GHz} = 24 ± 6 μJy and in BRI 1335–0417 we measure S {sub 44} {sub GHz} = 40 ± 7 μJy. Combining our continuum observations with previous data at (rest-frame) far-infrared and centimeter wavelengths, we fit three-component models in order to estimate the star formation rates. This spectral energy distribution fitting suggests that the dominant contribution to the observed 44 GHz continuum is thermal dust emission, while either thermal free-free or synchrotron emission contributes less than 30%.

  20. Starburst Triggering and Environmental Effects

    NASA Astrophysics Data System (ADS)

    Combes, F.

    Introduction Stability of a two-fluid medium Mechanisms to trigger starbursts Dynamical mechanisms: non-axisymmetry and torques Angular momentum transfer for the stellar component Angular momentum transfer for the gas component feedback and self-regulation Fueling activity by bars The inner Lindblad resonance Nuclear disks and nuclear bars Bar destruction through mass concentration Gas-dominated central disk Environmental effects Numerical codes and gas modelling Star-formation processes Formation of large complexes Lessons from mergers Gas morphology in mergers Tidal tails and dark matter Ring galaxies Groups and clusters Rich clusters Galaxy evolution Evolution along the hubble sequence Fragility of disks Evolution at high redshift Gas and dark matter Hot gas in rich clusters Self-gravity and fractal structure of the ISM Conclusion

  1. The Scaling Relations and Star Formation Laws of Mini-starburst Complexes

    NASA Astrophysics Data System (ADS)

    Nguyen-Luong, Quang; Nguyen, Hans V. V.; Motte, Fredérique; Schneider, Nicola; Fujii, Michiko; Louvet, Fabien; Hill, Tracey; Sanhueza, Patricio; Chibueze, James O.; Didelon, Pierre

    2016-12-01

    The scaling relations and star formation laws for molecular cloud complexes (MCCs) in the Milky Way are investigated. MCCs are mostly large (R > 50 pc), massive (˜106 {\\text{}}{M}⊙ ) gravitationally unbound cloud structures. We compare their masses {M}{gas}, mass surface densities {{{Σ }}}{M{gas}}, radii R, velocity dispersions σ, star formation rates (SFRs), and SFR densities {{{Σ }}}{SFR} with those of structures ranging from cores, clumps, and giant molecular clouds, to MCCs, and galaxies, spanning eight orders of magnitudes in size and 13 orders of magnitudes in mass. This results in the following universal relations:σ ˜ {R}0.5,{M}{gas}˜ {R}2,{{{Σ }}}{SFR}˜ {{{Σ }}}{M{gas}}1.5, {SFR}˜ {{M}{gas}}0.9, {and} {SFR}˜ {σ }2.7. Variations in the slopes and coefficients of these relations are found at individual scales, signifying different physics acting at different scales. Additionally, there are breaks at the MCC scale in the σ {--}R relation and between starburst and normal star-forming objects in the {SFR}{--}{M}{gas} and {{{Σ }}}{SFR}-{{{Σ }}}{{{M}}{gas}} relations. Therefore, we propose to use the Schmidt-Kennicutt diagram to distinguish starburst from normal star-forming structures by applying a {{{Σ }}}{M{gas}} threshold of ˜100 {\\text{}}{M}⊙ pc-2 and a {{{Σ }}}{SFR} threshold of 1 {\\text{}}{M}⊙ yr-1 kpc-2. Mini-starburst complexes are gravitationally unbound MCCs that have enhanced {{{Σ }}}{SFR} (>1 {\\text{}}{M}⊙ yr-1 kpc-2), probably caused by dynamic events such as radiation pressure, colliding flows, or spiral arm gravitational instability. Because of dynamical evolution, gravitational boundedness does not play a significant role in regulating the star formation activity of MCCs, especially the mini-starburst complexes, which leads to the dynamical formation of massive stars and clusters. We emphasize the importance of understanding mini-starbursts in investigating the physics of starburst galaxies.

  2. Feeding IC 342: The nuclear spiral of a starburst galaxy

    NASA Technical Reports Server (NTRS)

    Levine, D.; Turner, J. L.; Hurt, Robert L.

    1993-01-01

    IC 342 is a large nearby (1.8 Mpc, Turner and Hurt, 1991, hereafter T&H) spiral galaxy undergoing a moderate nuclear starburst. T&H have previously mapped the inner arcminute in CO-13(1-0) using the Owens Valley Millimeter Interferometer and found evidence that the nuclear molecular gas takes the form of spiral arms in a density wave pattern. They suggest that radial streaming along the arms may channel gas from the exterior of the galaxy into the nucleus, feeding the starburst. We have mapped the CO-12(1-0) emission of the inner 2 kpc of IC 342 at 2.8 inch resolution using the Owens Valley Radio Observatory (OVRO) Millimeter Interferometer. The greater sensitivity of CO-12 observations has allowed us to trace the spiral pattern out to a total extent of greater than 1 kpc. The CO-12 observations extend considerably the structure observed at CO-13 and offer further evidence that a spiral density wave may extend from the disk into the nucleus of IC 342.

  3. Feeding IC 342: The nuclear spiral of a starburst galaxy

    NASA Astrophysics Data System (ADS)

    Levine, D.; Turner, J. L.; Hurt, Robert L.

    1993-01-01

    IC 342 is a large nearby (1.8 Mpc, Turner and Hurt, 1991, hereafter T&H) spiral galaxy undergoing a moderate nuclear starburst. T&H have previously mapped the inner arcminute in CO-13(1-0) using the Owens Valley Millimeter Interferometer and found evidence that the nuclear molecular gas takes the form of spiral arms in a density wave pattern. They suggest that radial streaming along the arms may channel gas from the exterior of the galaxy into the nucleus, feeding the starburst. We have mapped the CO-12(1-0) emission of the inner 2 kpc of IC 342 at 2.8 inch resolution using the Owens Valley Radio Observatory (OVRO) Millimeter Interferometer. The greater sensitivity of CO-12 observations has allowed us to trace the spiral pattern out to a total extent of greater than 1 kpc. The CO-12 observations extend considerably the structure observed at CO-13 and offer further evidence that a spiral density wave may extend from the disk into the nucleus of IC 342.

  4. Starburst galaxy Messier 94

    NASA Image and Video Library

    2015-10-19

    This image shows the galaxy Messier 94, which lies in the small northern constellation of the Hunting Dogs, about 16 million light-years away. Within the bright ring around Messier 94 new stars are forming at a high rate and many young, bright stars are present within it – thanks to this, this feature is called a starburst ring. The cause of this peculiarly shaped star-forming region is likely a pressure wave going outwards from the galactic centre, compressing the gas and dust in the outer region. The compression of material means the gas starts to collapse into denser clouds. Inside these dense clouds, gravity pulls the gas and dust together until temperature and pressure are high enough for stars to be born.

  5. X-Ray Properties of the Central kpc of AGN and Starbursts: The Latest News from Chandra

    NASA Astrophysics Data System (ADS)

    Weaver, Kimberly A.

    The X-ray properties of 15 nearby (v < 3000 kms-1) galaxies that possess AGN and/or starbursts are discussed. Two-thirds have nuclear extended emission on scales from ~0.5 to ~1.5 kpc that is either clearly associated with a nuclear outflow or morphologically resembles an outflow. Galaxies that are AGN-dominated tend to have linear structures while starburst-dominated galaxies tend to have plume-like structures. Significant X-ray absorption is present in the starburst regions, indicating that a circumnuclear starburst is sufficient to block an AGN at optical wavelengths. Galaxies with starburst activity possess more X-ray point sources within their central kpc than non-starbursts. Many of these sources are more luminous than typical X-ray binaries. The Chandra results are discussed in terms of the starburst--AGN connection, a revised unified model for AGN, and possible evolutionary scenarios.

  6. Widespread HCO Emission in the Nuclear Starburst of M82

    NASA Astrophysics Data System (ADS)

    García-Burillo, S.; Martín-Pintado, J.; Fuente, A.; Usero, A.; Neri, R.

    2002-08-01

    We present a high-resolution (~5") image of the nucleus of M82 showing the presence of widespread emission of the formyl radical (HCO). The HCO map, the first obtained in an external galaxy, reveals the existence of a structured disk of ~650 pc full diameter. The HCO distribution in the plane mimics the ring morphology displayed by other molecular/ionized gas tracers in M82. More precisely, rings traced by HCO, CO, and H II regions are nested, with the HCO ring lying in the outer edge of the molecular torus. Observations of HCO in Galactic clouds indicate that the abundance of HCO is strongly enhanced in the interfaces between the ionized and molecular gas. The surprisingly high overall abundance of HCO measured in M82 [X(HCO)~4×10-10] indicates that its nuclear disk can be viewed as a giant photon-dominated region (PDR) of ~650 pc size. The existence of various nested gas rings, with the highest HCO abundance occurring at the outer ring [X(HCO)~0.8×10-9], suggests that PDR chemistry is propagating in the disk. We discuss the inferred large abundances of HCO in M82 in the context of a starburst evolutionary scenario, picturing the M82 nucleus as an evolved starburst. Based on observations carried out with the Institut de Radioastronomie Millimétrique (IRAM) Plateau de Bure Interferometer. IRAM is supported by the Institut National des Sciences de l'Univers/Centre National de la Recherche Scientifique (France), the Max-Planck-Gesellschaft (Germany), and the Instituto Geográfico Nacional (Spain).

  7. The interstellar medium in the starburst regions of NGC 253 and NGC 3256

    NASA Technical Reports Server (NTRS)

    Carral, P.; Hollenbach, D. J.; Lord, S. D.; Colgan, S. W. J.; Haas, Michael R.; Rubin, R. H.; Erickson, E. F.

    1994-01-01

    We discuss observations of the (C II) 158 micrometers, (O I) 63 micrometers, (Si II) 35 micrometers, (O III) 52,88 micrometers, and (S III) 33 micrometers fine-structure transitions toward the central 45 seconds of the starburst galaxies NGC 253 and NGC 3256. The (C II) and (O I) emission probably originates in photodissociated gas at the surfaces of molecular clouds, although a small (less than or approximately 30%) contribution to the (C II) flux from H II regions cannot be ruled out. The (O III) and (S III) lines originate in H II regions and the (Si II) flux is best explained as originating in H II regions with some contribution from photodissociation regions (PDRs). The gas phase silicon abundance is nearly solar in NGC 253, which we interpret as evidence for grain destruction in the starburst region. We find that the photodissociated atomic gas has densities approximately 10(exp 4)/cu cm and temperature 200-300 K. About 2% of the gas is in this phase. The thermal gas pressure in the PDRs, P(PDR)/k approximately 1-3 x 10(exp 6) K/cu cm, might represent the 'typical' interstellar gas pressure in starburst systems. The Far Ultraviolet (FUV) radiation fields illuminating the clouds are 10(exp 3)-10(exp 4) stronger than the local Galactic FUV field and come from the contribution of many closely packed O and B stars. For the central 250 pc of NGC 253, we find that the H II gas has an average density n(sub e) is approximately 400/cu cm. This corresponds to a thermal pressure P(H II)/k approximately 7 x 10(exp 6) K/cu cm which is approximately P(PDR)/k, suggesting that the ionized gas is in pressure equilibrium with the photodissociated gas at the surfaces of molecular clouds. The H II gas fills a significant fraction, approximately 0.01-0.3, of the volume between the clouds. The effective temperature of the ionizing stars in NGC 253 is greater than or approximately 34,500 K; 2 x 10(exp 5) O7.5 stars would produce the observed Lyman countinuum photon luminosity. The

  8. (12)CO (3-2) & (1-0) emission line observations of nearby starburst galaxy nuclei

    NASA Technical Reports Server (NTRS)

    Devereux, Nicholas; Taniguchi, Yoshiaki; Sanders, D. B.; Nakai, N.; Young, J. S.

    1994-01-01

    New measurements of the (12)CO (1-0) and (12)CO (3-2) line emission are presented for the nuclei of seven nearby starburst galaxies selected from a complete sample of 21 nearby starburst galaxies for which the nuclear star formation rates are measured to be comparable to the archetype starburst galaxies M82 and NGC 253. The new observations capitalize on the coincidence between the beam size of the 45 m Nobeyama telescope at 115 GHz and that of the 15 m James Clerk Maxwell Telescope at 345 GHz to measure the value of the (12)CO (3-2)/(1-0) emission line ratio in a 15 sec (less than or equal to 2.5 kpc) diameter region centered on the nuclear starburst. In principle, the (12)CO (3-2)/(1-0) emission line ratio provides a measure of temperature and optical depth for the (12)CO gas. The error weighted mean value of the (12)CO (3-2)/(1-0) emission line ratio measured for the seven starburst galaxy nuclei is -0.64 +/- 0.06. The (12)CO (3-2)/(1-0) emission line ratio measured for the starburst galaxy nuclei is significantly higher than the average value measured for molecular gas in the disk of the Galaxy, implying warmer temperatures for the molecular gas in starburst galaxy nuclei. On the other hand, the (12)CO (3-2)/(1-0) emission line ratio measured for the starburst galaxy nuclei is not as high as would be expected if the molecular gas were hot, greater than 20 K, and optically thin, tau much less than 1. The total mass of molecular gas contained within the central 1.2-2.8 kpc diameter region of the starburst galaxy nuclei ranges from 10(exp 8) to 10(exp 9) solar mass. While substantial, the molecular gas mass represents only a small percentage, approximately 9%-16%, of the dynamical mass in the same region.

  9. (12)CO (3-2) & (1-0) emission line observations of nearby starburst galaxy nuclei

    NASA Technical Reports Server (NTRS)

    Devereux, Nicholas; Taniguchi, Yoshiaki; Sanders, D. B.; Nakai, N.; Young, J. S.

    1994-01-01

    New measurements of the (12)CO (1-0) and (12)CO (3-2) line emission are presented for the nuclei of seven nearby starburst galaxies selected from a complete sample of 21 nearby starburst galaxies for which the nuclear star formation rates are measured to be comparable to the archetype starburst galaxies M82 and NGC 253. The new observations capitalize on the coincidence between the beam size of the 45 m Nobeyama telescope at 115 GHz and that of the 15 m James Clerk Maxwell Telescope at 345 GHz to measure the value of the (12)CO (3-2)/(1-0) emission line ratio in a 15 sec (less than or equal to 2.5 kpc) diameter region centered on the nuclear starburst. In principle, the (12)CO (3-2)/(1-0) emission line ratio provides a measure of temperature and optical depth for the (12)CO gas. The error weighted mean value of the (12)CO (3-2)/(1-0) emission line ratio measured for the seven starburst galaxy nuclei is -0.64 +/- 0.06. The (12)CO (3-2)/(1-0) emission line ratio measured for the starburst galaxy nuclei is significantly higher than the average value measured for molecular gas in the disk of the Galaxy, implying warmer temperatures for the molecular gas in starburst galaxy nuclei. On the other hand, the (12)CO (3-2)/(1-0) emission line ratio measured for the starburst galaxy nuclei is not as high as would be expected if the molecular gas were hot, greater than 20 K, and optically thin, tau much less than 1. The total mass of molecular gas contained within the central 1.2-2.8 kpc diameter region of the starburst galaxy nuclei ranges from 10(exp 8) to 10(exp 9) solar mass. While substantial, the molecular gas mass represents only a small percentage, approximately 9%-16%, of the dynamical mass in the same region.

  10. Exceptionally bright, compact starburst nucleus

    SciTech Connect

    Margon, B.; Anderson, S.F.; Mateo, M.; Fich, M.; Massey, P.

    1988-11-01

    Observations are reported of a remarkably bright (V about 13) starburst nucleus, 0833 + 652, which has been detected at radio, infrared, optical, ultraviolet, and X-ray wavelengths. Despite an observed flux at each of these wavelengths which is comparable to that of NGC 7714, often considered the 'prototypical' example of the starburst phenomenon, 0833 + 652 appears to be a previously uncataloged object. Its ease of detectability throughout the electromagnetic spectrum should make it useful for a variety of problems in the study of compact emission-line galaxies. 30 references.

  11. Dynamic molecular graphs: "hopping" structures.

    PubMed

    Cortés-Guzmán, Fernando; Rocha-Rinza, Tomas; Guevara-Vela, José Manuel; Cuevas, Gabriel; Gómez, Rosa María

    2014-05-05

    This work aims to contribute to the discussion about the suitability of bond paths and bond-critical points as indicators of chemical bonding defined within the theoretical framework of the quantum theory of atoms in molecules. For this purpose, we consider the temporal evolution of the molecular structure of [Fe{C(CH2 )3 }(CO)3 ] throughout Born-Oppenheimer molecular dynamics (BOMD), which illustrates the changing behaviour of the molecular graph (MG) of an electronic system. Several MGs with significant lifespans are observed across the BOMD simulations. The bond paths between the trimethylenemethane and the metallic core are uninterruptedly formed and broken. This situation is reminiscent of a "hopping" ligand over the iron atom. The molecular graph wherein the bonding between trimethylenemethane and the iron atom takes place only by means of the tertiary carbon atom has the longest lifespan of all the considered structures, which is consistent with the MG found by X-ray diffraction experiments and quantum chemical calculations. In contrast, the η(4) complex predicted by molecular-orbital theory has an extremely brief lifetime. The lifespan of different molecular structures is related to bond descriptors on the basis of the topology of the electron density such as the ellipticities at the FeCH2 bond-critical points and electron delocalisation indices. This work also proposes the concept of a dynamic molecular graph composed of the different structures found throughout the BOMD trajectories in analogy to a resonance hybrid of Lewis structures. It is our hope that the notion of dynamic molecular graphs will prove useful in the discussion of electronic systems, in particular for those in which analysis on the basis of static structures leads to controversial conclusions.

  12. The role of UV-optical obscuration in starburst galaxies

    NASA Technical Reports Server (NTRS)

    Keel, William C.

    1991-01-01

    The starburst phenomenon was viewed as increasingly important since the recognition that some galaxies have regions in which stars are forming so rapidly that a transient event must be seen. Such starbursts populate samples of galaxies selected either for UV or IR excess, and some were found from IRAS source identifications that must be quite heavily obscured at optical wavelengths. Many interpretations of the physical conditions in these objects and their stellar populations have relied on scaling from models of individual H II regions, and this certainly seems justified from the gross appearance of the optical spectra and IR spectral shapes. Collection of complementary UV, optical, and near-IR data is presented on a set of starbursts, with a preliminary analysis of models for more realistic internal structure.

  13. Toward Gas Chemistry in Low Metallicity Starburst Galaxies

    NASA Astrophysics Data System (ADS)

    Meier, David S.; Anderson, Crystal N.; Turner, Jean; Ott, Juergen; Beck, Sara C.

    2017-01-01

    Dense gas, which is intimately connected with star formation, is key to understanding star formation. Though challenging to study, dense gas in low metallicity starbursts is important given these system's often extreme star formation and their potential implications for high redshift analogs. High spatial resolution (~50 pc) ALMA observations of several key probes of gas chemistry, including HCN(1-0), HCO+(1-0), CS(2-1), CCH(1-0;3/2-1/2) and SiO(2-1), towards the nearby super star-cluster (SSC) forming, sub-solar metallicity galaxy NGC 5253 are discussed. Dense gas is observed to be extended well beyond the current compact starburst, reaching into the apparently infalling molecular streamer. The faintness of HCN, the standard dense gas tracer, is extreme both in an absolute sense relative to high metallicity starbursts of a similar intensity and in a relative sense, with the HCO+/HCN ratio being one of the most elevated observed. UV-irradiated molecular gas, traced by CCH, is also extended over the mapped region, not being strongly correlated with the SSC. Despite the accretion of molecular gas from the halo and the intense burst of star formation, chemical signatures of shocked gas, traced by SiO (and HNCO), are not obvious. By placing NGC 5253 in context with other local starbursts, like 30 Doradus in the Large Magellanic Clouds and the high metallicity proto-typical starburst NGC 253, it is suggested that a combination of gas excitation and abundance changes associated with the sub solar metallicity may explain these anomalous dense gas properties.

  14. Nanogap structures for molecular nanoelectronics.

    PubMed

    Motto, Paolo; Dimonte, Alice; Rattalino, Ismael; Demarchi, Danilo; Piccinini, Gianluca; Civera, Pierluigi

    2012-02-09

    This study is focused on the realization of nanodevices for nano and molecular electronics, based on molecular interactions in a metal-molecule-metal (M-M-M) structure. In an M-M-M system, the electronic function is a property of the structure and can be characterized through I/V measurements. The contact between the metals and the molecule was obtained by gold nanogaps (with a dimension of less than 10 nm), produced with the electromigration technique. The nanogap fabrication was controlled by a custom hardware and the related software system. The studies were carried out through experiments and simulations of organic molecules, in particular oligothiophenes.

  15. Nanogap structures for molecular nanoelectronics

    PubMed Central

    2012-01-01

    This study is focused on the realization of nanodevices for nano and molecular electronics, based on molecular interactions in a metal-molecule-metal (M-M-M) structure. In an M-M-M system, the electronic function is a property of the structure and can be characterized through I/V measurements. The contact between the metals and the molecule was obtained by gold nanogaps (with a dimension of less than 10 nm), produced with the electromigration technique. The nanogap fabrication was controlled by a custom hardware and the related software system. The studies were carried out through experiments and simulations of organic molecules, in particular oligothiophenes. PMID:22321736

  16. Initial conditions of formation of starburst clusters: constraints from stellar dynamics

    NASA Astrophysics Data System (ADS)

    Banerjee, Sambaran; Kroupa, Pavel

    2015-08-01

    Recent high resolution observations of dense regions of molecular clouds and massive gaseous clumps with instruments like Herschel and ALMA have revealed intricate and filamentary overdensity structures in them. Such progenitors of massive starburst clusters are in contrast with smooth, centrally-pronounced profiles of the latter. In this work, we intend to constrain massive, substructured stellar distributions that would evolve to cluster-like profiles at very young ages (~Myr), as seen in starburst clusters. Taking the well observed NGC3603 Young Cluster (NYC) as an example, we compute the infall and final merger of filament-like compact (0.1-0.3 pc) subclusters, totalling 10000 M_sun, from a range of spatial scales and modes of sub-clustering, using direct N-body calculations. These calculations infer an allowable span of approx. 2.5 pc from which the subclusters can fall in a gas potential and merge to form a single centrally-dense structure in near dynamical equilibrium, within the young age of NYC (1-2 Myr). However, these merged clusters are too compact and centrally overdense compared to typical young clusters. Our N-body calculations, beginning from such compact initial conditions, show that even stellar wind and supernova mass loss, dynamical heating from retaining black holes, external tidal field and heating due to tight O-star binaries together cannot expand these clusters to their observed sizes, even in 100 Myr. Hence an explosive gas dispersal phase seems essential for forming starburst and other young clusters observed in the Milky Way and in the Local Group which can expand the clusters to their observed sizes and concentrations; including that for NYC with approx. 30% clump star formation efficiency. However, some observed massive but highly extended (>10 pc) , >10 Myr old clusters better fit a slow (several Myr timescale) gas dispersal from parsec-scale initial profiles, which can be the future of embedded systems like W3 Main.

  17. Detection of the 158 Micrometers[CII] Transition at z=1.3: Evidence for a Galaxy-Wide Starburst

    NASA Technical Reports Server (NTRS)

    Hailey-Dunsheath, S.; Nikola, T.; Oberst, T. E.; Parshley, S. C.; Benford, D. J.; Staguhn, J. G.; Tucker, C. E.

    2010-01-01

    We report the detection of 158 micron [C II] fine-structure line emission from MIPS J142824.0+352619, a hyperluminous ( L(sub IR) approximates 10(exp 13) L (sub solar)) starburst galaxy at z = 1.3. The line is bright, corresponding to a fraction L(sub [Cu II] L(sub Fir) approximates 2 x 10(exp -3) of the far-IR (FIR) continuum. The [C II], CO, and FIR continuum emission may be modeled as arising from photodissociation regions (PDRs) that have a characteristic gas density of n approximates 10(exp 4.2) /cm(exp 3) , and that are illuminated by a far-UV radiation field approximately 10(exp 3.2) times more intense than the local interstellar radiation field. The mass in these PDRs accounts for approximately half of the molecular gas mass in this galaxy. The L(sub [CII])/L(sub FIR) ratio is higher than observed in local ultralummous infrared galaxies or in the few high-redshift QSOs detected in [C II], but the L(sub [CII])/L(sub FIR) and L(sub CO)/L(sub FIR) ratios are similar to the values seen in nearby starburst galaxies. This suggests that MIPS J142824.0+352619 is a scaled-up version of a starburst nucleus, with the burst extended over several kiloparsecs.

  18. Detection of the 158 Micrometers[CII] Transition at z=1.3: Evidence for a Galaxy-Wide Starburst

    NASA Technical Reports Server (NTRS)

    Hailey-Dunsheath, S.; Nikola, T.; Oberst, T. E.; Parshley, S. C.; Benford, D. J.; Staguhn, J. G.; Tucker, C. E.

    2010-01-01

    We report the detection of 158 micron [C II] fine-structure line emission from MIPS J142824.0+352619, a hyperluminous ( L(sub IR) approximates 10(exp 13) L (sub solar)) starburst galaxy at z = 1.3. The line is bright, corresponding to a fraction L(sub [Cu II] L(sub Fir) approximates 2 x 10(exp -3) of the far-IR (FIR) continuum. The [C II], CO, and FIR continuum emission may be modeled as arising from photodissociation regions (PDRs) that have a characteristic gas density of n approximates 10(exp 4.2) /cm(exp 3) , and that are illuminated by a far-UV radiation field approximately 10(exp 3.2) times more intense than the local interstellar radiation field. The mass in these PDRs accounts for approximately half of the molecular gas mass in this galaxy. The L(sub [CII])/L(sub FIR) ratio is higher than observed in local ultralummous infrared galaxies or in the few high-redshift QSOs detected in [C II], but the L(sub [CII])/L(sub FIR) and L(sub CO)/L(sub FIR) ratios are similar to the values seen in nearby starburst galaxies. This suggests that MIPS J142824.0+352619 is a scaled-up version of a starburst nucleus, with the burst extended over several kiloparsecs.

  19. DENSE MOLECULAR GAS EXCITATION IN NUCLEAR STARBURSTS AT HIGH REDSHIFT: HCN, HNC, AND HCO{sup +}(J = 6{yields}5) EMISSION IN THE z = 3.91 QUASAR HOST OF APM 08279+5255

    SciTech Connect

    Riechers, Dominik A.; Weiss, Axel; Walter, Fabian; Wagg, Jeff

    2010-12-10

    We report the detection of surprisingly strong HCN(J = 6{yields}5), HNC(J = 6{yields}5), and HCO{sup +}(J = 6{yields}5) emission in the host galaxy of the z = 3.91 quasar APM 08279+5255 through observations with the Combined Array for Research in Millimeter-wave Astronomy. HCN, HNC, and HCO{sup +} are typically used as star formation indicators, tracing dense molecular hydrogen gas [n(H{sub 2}) >10{sup 5} cm{sup -3}] within star-forming molecular clouds. However, the strength of their respective line emission in the J = 6{yields}5 transitions in APM 08279+5255 is extremely high, suggesting that they are excited by another mechanism besides collisions in the dense molecular gas phase alone. We derive J = 6{yields}5 line luminosities of L'{sub HCN} = (4.9 {+-} 0.6), L'{sub HNC} = (2.4 {+-} 0.7), and L{sup '}{sub HCO}{sup +}= (3.0{+-}0.6)x10{sup 10} {mu}{sup -1}{sub L} K km s{sup -1} pc{sup 2} (where {mu}{sub L} is the lensing magnification factor), corresponding to L' ratios of {approx}0.23-0.46 relative to CO(J = 1{yields}0). Such high line ratios would be unusual even in the respective ground-state (J = 1{yields}0) transitions, and indicate exceptional, collisionally and radiatively driven excitation conditions in the dense, star-forming molecular gas in APM 08279+5255. Through an expansion of our previous modeling of the HCN line excitation in this source, we show that the high rotational line fluxes are caused by substantial infrared pumping at moderate opacities in a {approx}220 K warm gas and dust component. This implies that standard M{sub dense}/L' conversion factors would substantially overpredict the dense molecular gas mass M{sub dense}. We also find a HCN(J = 6{yields}5)/HCN(J = 5{yields}4) L' ratio greater than 1 (1.36 {+-} 0.31)-however, our models show that the excitation is likely not 'super-thermal', but that the high line ratio is due to a rising optical depth between both transitions. These findings are consistent with the picture that the bulk of

  20. Hard Gamma Ray Emission from the Starburst Galaxy NGC 253

    NASA Technical Reports Server (NTRS)

    Jackson, James M.; Marscher, Alan M.

    1996-01-01

    We have completed the study to search for hard gamma ray emission from the starburst galaxy NGC 253. Since supernovae are thought to provide the hard gamma ray emission from the Milky Way, starburst galaxies, with their extraordinarily high supernova rates, are prime targets to search for hard gamma ray emission. We conducted a careful search for hard gamma ray emission from NGC 253 using the archival data from the EGRET experiment aboard the CGRO. Because this starburst galaxy happens to lie near the South Galactic Pole, the Galactic gamma ray background is minimal. We found no significant hard gamma ray signal toward NGC 253, although a marginal signal of about 1.5 sigma was found. Because of the low Galactic background, we obtained a very sensitive upper limit to the emission of greater than 100 MeV gamma-rays of 8 x 10(exp -8) photons/sq cm s. Since we expected to detect hard gamma ray emission, we investigated the theory of gamma ray production in a dense molecular medium. We used a leaky-box model to simulate diffusive transport in a starburst region. Since starburst galaxies have high infrared radiation fields, we included the effects of self-Compton scattering, which are usually ignored. By modelling the expected gamma-ray and synchrotron spectra from NGC 253, we find that roughly 5 - 15% of the energy from supernovae is transferred to cosmic rays in the starburst. This result is consistent with supernova acceleration models, and is somewhat larger than the value derived for the Galaxy (3 - 10%). Our calculations match the EGRET and radio data very well with a supernova rate of 0.08/ yr, a magnetic field B approx. greater than 5 x 10(exp -5) G, a density n approx. less than 100/sq cm, a photon density U(sub ph) approx. 200 eV/sq cm, and an escape time scale tau(sub 0) approx. less than 10 Myr. The models also suggest that NGC 253 should be detectable with only a factor of 2 - 3 improvement in sensitivity. Our results are consistent with the standard picture

  1. Detection of the 13CO J = 6→ 5 transition in the Starburst Galaxy NGC 253

    NASA Astrophysics Data System (ADS)

    Hailey-Dunsheath, S.; Nikola, T.; Stacey, G. J.; Oberst, T. E.; Parshley, S. C.; Bradford, C. M.; Ade, P. A. R.; Tucker, C. E.

    2008-12-01

    We report the detection of 13CO J = 6→ 5 emission from the nucleus of the starburst galaxy NGC 253 with the redshift (z) and Early Universe Spectrometer (ZEUS), a new submillimeter grating spectrometer. This is the first extragalactic detection of the 13CO J = 6→ 5 transition, which traces warm, dense molecular gas. We employ a multiline LVG analysis and find ≈35%-60% of the molecular interstellar medium is both warm (T ~ 110 K) and dense (nH2 ~ 104 cm-3). We analyze the potential heat sources and conclude that ultraviolet and X-ray photons are unlikely to be energetically important. Instead, the molecular gas is most likely heated by an elevated density of cosmic rays or by the decay of supersonic turbulence through shocks. If the cosmic rays and turbulence are created by stellar feedback within the starburst, then our analysis suggests the starburst may be self-limiting.

  2. Highlights And Shadows Of High Redshift Starbursts: A Herschel­Fmos Joint Effort

    NASA Astrophysics Data System (ADS)

    Puglisi, Annagrazia

    2017-06-01

    Starburst galaxies represent a critical stage in galaxy evolution as they are the likely progenitors of passively evolving ellipticals. The properties of high-redshift starbursts are however still debated as it is not clear to which extent their vigorous star formation rate is caused by an enhanced gas fraction or an enhanced star formation efficiency, and what physical processes trigger such violent activity. Our study of the rest-frame optical spectra from the FMOS-COSMOS survey of twelve z 1.6 Herschel starbursts combined with a rich ancillary data-set from UV to ALMA, is shedding light on some of these questions. By measuring the nebular extinction from different indicators, we find that 90% of their extreme SFR arises from an heavily obscured component which is thick in the optical. We also measure their gas-phase metallicity, showing that starbursts are metal-rich outliers from the metallicity-SFR anticorrelation observed at fixed stellar mass for the main sequence population. Our findings are consistent with a major merger origin for the starburst event. I will present this study discussing its implications on our interpretation of the high-redshift starbursts physics. I will also briefly discuss possible extensions of this work with the future PFS survey and how we can take advantage of the IFU capabilities of JWST/NIRspec to unveil the complex structure of these elusive systems.

  3. Observations and starburst models of NGC 520

    NASA Astrophysics Data System (ADS)

    Bernloehr, K.

    1993-03-01

    CCD images in B, V, R, I, and in the light of the emission line H-alpha have been obtained as well as 11 long-slit spectra. Color maps and radial velocity maps show that the irregular galaxy NGC 520 consists of two interacting components which are very likely on a bound orbit and are going to merge. The more massive component is seen almost edge-on and has a warp of about 27. Its nuclear region coincides with the radio continuum source and shows an active starburst which, at visual wavelengths, is almost hidden behind the dust lane of the disk. The spectra of the less massive, although visually brighter, second component northwest of the main component indicate a post-starburst some 2-3 x 10 exp 8 years old. Numerical starburst models, which were fitted to the data of both components, indicate that both starbursts might be deficient in low-mass stars.

  4. Shaken, not stirred - the BCG starburst recipe

    NASA Astrophysics Data System (ADS)

    Bergvall, N.; Zackrisson, E.; Östlin, G.; Laurikainen, E.

    2003-06-01

    True starbursts are dramatic events that lead to a rapid exhaustion of the available gas supply and generate massive outflows of gas, strongly influencing the evolution of galaxies. To understand the early phases of galaxy evolution it is therefore crucial to identify the mechanisms that rule this process. In this study we present observations that show that interactions are inefficient to generate starbursts and that mergers appear to be a more plausible mechanism.

  5. The gas content in starburst galaxies

    NASA Technical Reports Server (NTRS)

    Mirabel, I. F.; Sanders, D. B.

    1987-01-01

    The results from two large and homogeneous surveys, one in H I, the other in CO, are used for a statistical review of the gaseous properties of bright infrared galaxies. A constant ratio between the thermal FIR radiation and nonthermal radio emission is a universal property of star formation in spiral galaxies. The current rate of star formation in starburst galaxies is found to be 3-20 times larger than in the Milky Way. Galaxies with the higher FIR luminosities and warmer dust, have the larger mass fractions of molecular to atomic interstellar gas, and in some instances, striking deficiencies of neutral hydrogen are found. A statistical blueshift of the optical systemic velocities relative to the radio systemic velocities, may be due to an outward motion of the optical line-emitting gas. From the high rates of star formation, and from the short times required for the depletion of the interstellar gas, it is concluded that the most luminous infrared galaxies represent a brief but important phase in the evolution of some galaxies, when two galaxies merge changing substantially their overall properties.

  6. The gas content in starburst galaxies

    NASA Technical Reports Server (NTRS)

    Mirabel, I. F.; Sanders, D. B.

    1987-01-01

    The results from two large and homogeneous surveys, one in H I, the other in CO, are used for a statistical review of the gaseous properties of bright infrared galaxies. A constant ratio between the thermal FIR radiation and nonthermal radio emission is a universal property of star formation in spiral galaxies. The current rate of star formation in starburst galaxies is found to be 3-20 times larger than in the Milky Way. Galaxies with the higher FIR luminosities and warmer dust, have the larger mass fractions of molecular to atomic interstellar gas, and in some instances, striking deficiencies of neutral hydrogen are found. A statistical blueshift of the optical systemic velocities relative to the radio systemic velocities, may be due to an outward motion of the optical line-emitting gas. From the high rates of star formation, and from the short times required for the depletion of the interstellar gas, it is concluded that the most luminous infrared galaxies represent a brief but important phase in the evolution of some galaxies, when two galaxies merge changing substantially their overall properties.

  7. Environments of Starburst Galaxies Diagnosed with the NVO

    NASA Astrophysics Data System (ADS)

    de Mello, D.; Sosey, M.

    2004-12-01

    We will present the analysis of the environment of starburst galaxies using the National Virtual Observatory. We have matched the sample of starburst galaxies by Wu et al. (2002) with the Sloan Digital Sky Survey (SDSS) and searched for companions in their neighborhood. We found: (i) three starbursts with no companion, (ii) four starbursts with clear interaction and in the process of merging, (iii) nine starbursts with at least one companion. We have compared the starburst sample with the sample of isolated galaxies by Karachentseva (1986) and with the SDSS merging galaxies by Allam et al. (2004). Using color selection criteria from the known sample of starburst galaxies, we have built a database of starburst candidates from the SDSS catalogue. This allowed us to do a more statistical comparison of starburst galaxies, their neighborhoods and possible environmental effects on their evolution. Direct links to the SDSS images and related photometry are provided for easy reference.

  8. Direct Detection CO 7-6 Spectroscopy of the Galactic Center and Starburst Galaxies: SPIFI at the JCMT

    NASA Astrophysics Data System (ADS)

    Bradford, C. M.; Stacey, G. J.; Nikola, T.; Swain, M. R.; Bolatto, A. D.; Jackson, J. M.; Savage, M. L.; Davidson, J. A.

    1999-12-01

    We present the results of the first two observing runs with our new submillimeter spectrometer, the South Pole Imaging Fabry-Perot Interferometer (SPIFI). SPIFI is the first of its kind -- a direct-detection imaging spectrometer for use in the submillimeter. Our first two runs were through the 350 μm telluric window on the 15 m James Clerk Maxwell Telescope (JCMT), but SPIFI can also access the 200, 450, and 600 μm windows available to the JCMT and the AST/RO telescope at the South Pole. Despite mediocre weather on our first two runs (atmospheric transmission < 10%), we mapped the entire Galactic Center circumnuclear ring (CNR) in CO (J=7-6) at 7 arcsec resolution (about 200 spectra). The high-J CO emission traces warm, dense molecular gas, and especially highlights shocks. We observe bright emission in both the CNR itself and in kinematically distinct infalling material such as the +70 km/s cloud and the northern arm. We also carried out the first extragalactic CO (7-6) obsevations, in the starburst galaxies NGC 253 and M82. The line intensities indicate that these starburst systems, especially NGC 253, are exciting large amounts of dense molecular gas to T 100 K. SPIFI's sensitivity at the telescope was very close to predicted. We measured system temperatures around 10,000 K with an atmospheric transmission of 8.5 %, which, accounting for the efficiencies, is equivalent to Trec (DSB) < 100 K. We intend to continue to improve SPIFI's performance, and good-weather projects in the near future include [CI] 370 μm mapping in the Galactic Center, starburst galaxies, dwarf galaxies, and ULIGs, as well as the first observations of far-IR fine structure lines in high-redshift systems.

  9. Exploring the Limits of Star Formation from the Extreme Environment of Starbursts to the Milky Way

    NASA Astrophysics Data System (ADS)

    Heiderman, Amanda L.

    2012-01-01

    We investigate the relation between star formation rate (SFR) and gas surface densities in Galactic star forming regions and integral field unit (IFU) spatially resolved regions in nearby interacting/starburst galaxies. Our Galactic study uses a sample of 20 molecular clouds from the Spitzer c2d and Gould's Belt surveys. These data allow us to probe the low mass star formation regime that is essentially invisible to tracers (such as H-alpha emission) used to establish extragalactic relations (eg., Schmidt-Kennicutt relation). We find Galactic clouds above a threshold of 129 Msun/pc2 lie on a linear relation above extragalactic relations. Our extragalactic IFU survey is the VIRUS-P Investigation of the eXtreme ENvironments of Starbursts (VIXENS) which includes 15 nearby interacting/starburst galaxies that span a range of interaction phases: from close pairs to late stage mergers. The main goal of VIXENS is to investigate the Schmidt-Kennicutt relation on spatial scales of 0.1-0.9 kpc and test theoretical predictions at high SFR and gas surface densities in starburst galaxies. If a starburst CO-to-H2 conversion factor is used, we find sub-kpc scale starburst regions lie above extragalactic relations, overlapping with global measurements of high-z mergers as well as Galactic star forming regions. The overlap with Galactic star forming regions suggests that the bulk of gas in mergers is efficiently forming stars. These unique data sets allow us to compare SFR-gas surface density relations from Galactic clouds to extreme starbursts on spatially resolved scales for the first time.

  10. X-ray Properties of the Central kpc of AGN and Starbursts: The Latest News from Chandra

    NASA Technical Reports Server (NTRS)

    Weaver, Kimberly A.; White, Nicholas E. (Technical Monitor)

    2001-01-01

    The X-ray properties of 15 nearby (v less than 3,000 km/s) galaxies that possess AGN (active galactic nuclei) and/or starbursts are discussed. Two-thirds have nuclear extended emission on scales from approx. 0.5 to approx. 1.5 kpc that is either clearly associated with a nuclear outflow or morphologically resembles an outflow. Galaxies that are AGN-dominated tend to have linear structures while starburst-dominated galaxies tend to have plume-like structures. Significant X-ray absorption is present in the starburst regions, indicating that a circumnuclear starburst is sufficient to block an AGN at optical wavelengths. Galaxies with starburst activity possess more X-ray point sources within their central kpc than non-starbursts. Many of these sources are more luminous than typical X-ray binaries. The Chandra results are discussed in terms of the starburst-AGN connection, a revised unified model for AGN, and possible evolutionary scenarios.

  11. From starburst to quiescence: testing active galactic nucleus feedback in rapidly quenching post-starburst galaxies

    SciTech Connect

    Yesuf, Hassen M.; Faber, S. M.; Trump, Jonathan R.; Koo, David C.; Fang, Jerome J.; Liu, F. S.; Wild, Vivienne; Hayward, Christopher C.

    2014-09-10

    Post-starbursts are galaxies in transition from the blue cloud to the red sequence. Although they are rare today, integrated over time they may be an important pathway to the red sequence. This work uses Sloan Digital Sky Survey, the Galaxy Evolution Explorer, and Wide-field Infrared Survey Explorer observations to identify the evolutionary sequence from starbursts to fully quenched post-starbursts (QPSBs) in the narrow mass range log M(M {sub ☉}) = 10.3-10.7, and identifies 'transiting' post-starbursts (TPSBs) which are intermediate between these two populations. In this mass range, ∼0.3% of galaxies are starbursts, ∼0.1% are QPSBs, and ∼0.5% are the transiting types in between. The TPSBs have stellar properties that are predicted for fast-quenching starbursts and morphological characteristics that are already typical of early-type galaxies. The active galactic nucleus (AGN) fraction, as estimated from optical line ratios, of these post-starbursts is about three times higher (≳ 36% ± 8%) than that of normal star forming galaxies of the same mass, but there is a significant delay between the starburst phase and the peak of nuclear optical AGN activity (median age difference of ≳ 200 ± 100 Myr), in agreement with previous studies. The time delay is inferred by comparing the broadband near-NUV-to-optical photometry with stellar population synthesis models. We also find that starbursts and post-starbursts are significantly more dust obscured than normal star forming galaxies in the same mass range. About 20% of the starbursts and 15% of the TPSBs can be classified as 'dust-obscured galaxies' (DOGs), with a near-UV-to-mid-IR flux ratio of ≳ 900, while only 0.8% of normal galaxies are DOGs. The time delay between the starburst phase and AGN activity suggests that AGNs do not play a primary role in the original quenching of starbursts but may be responsible for quenching later low-level star formation by removing gas and dust during the post-starburst

  12. Detection of the 158 μm [C II] Transition at z = 1.3: Evidence for a Galaxy-wide Starburst

    NASA Astrophysics Data System (ADS)

    Hailey-Dunsheath, S.; Nikola, T.; Stacey, G. J.; Oberst, T. E.; Parshley, S. C.; Benford, D. J.; Staguhn, J. G.; Tucker, C. E.

    2010-05-01

    We report the detection of 158 μm [C II] fine-structure line emission from MIPS J142824.0+352619, a hyperluminous (L IR ~ 1013 L sun) starburst galaxy at z = 1.3. The line is bright, corresponding to a fraction L [C II]/L FIR ≈ 2 × 10-3 of the far-IR (FIR) continuum. The [C II], CO, and FIR continuum emission may be modeled as arising from photodissociation regions (PDRs) that have a characteristic gas density of n ~ 104.2 cm-3, and that are illuminated by a far-UV radiation field ~103.2 times more intense than the local interstellar radiation field. The mass in these PDRs accounts for approximately half of the molecular gas mass in this galaxy. The L [C II]/L FIR ratio is higher than observed in local ultraluminous infrared galaxies or in the few high-redshift QSOs detected in [C II], but the L [C II]/L FIR and L CO/L FIR ratios are similar to the values seen in nearby starburst galaxies. This suggests that MIPS J142824.0+352619 is a scaled-up version of a starburst nucleus, with the burst extended over several kiloparsecs.

  13. DETECTION OF THE 158 {mu}m [C II] TRANSITION AT z = 1.3: EVIDENCE FOR A GALAXY-WIDE STARBURST

    SciTech Connect

    Hailey-Dunsheath, S.; Nikola, T.; Stacey, G. J.; Oberst, T. E.; Parshley, S. C.; Benford, D. J.; Staguhn, J. G.; Tucker, C. E.

    2010-05-01

    We report the detection of 158 {mu}m [C II] fine-structure line emission from MIPS J142824.0+352619, a hyperluminous (L {sub IR} {approx} 10{sup 13} L {sub sun}) starburst galaxy at z = 1.3. The line is bright, corresponding to a fraction L {sub [CII]}/L {sub FIR} {approx} 2 x 10{sup -3} of the far-IR (FIR) continuum. The [C II], CO, and FIR continuum emission may be modeled as arising from photodissociation regions (PDRs) that have a characteristic gas density of n {approx} 10{sup 4.2} cm{sup -3}, and that are illuminated by a far-UV radiation field {approx}10{sup 3.2} times more intense than the local interstellar radiation field. The mass in these PDRs accounts for approximately half of the molecular gas mass in this galaxy. The L {sub [CII]}/L {sub FIR} ratio is higher than observed in local ultraluminous infrared galaxies or in the few high-redshift QSOs detected in [C II], but the L {sub [CII]}/L {sub FIR} and L {sub CO}/L {sub FIR} ratios are similar to the values seen in nearby starburst galaxies. This suggests that MIPS J142824.0+352619 is a scaled-up version of a starburst nucleus, with the burst extended over several kiloparsecs.

  14. PROPERTIES OF NEARBY STARBURST GALAXIES BASED ON THEIR DIFFUSE GAMMA-RAY EMISSION

    SciTech Connect

    Paglione, Timothy A. D.; Abrahams, Ryan D.

    2012-08-20

    The physical relationship between the far-infrared and radio fluxes of star-forming galaxies has yet to be definitively determined. The favored interpretation, the 'calorimeter model', requires that supernova generated cosmic-ray (CR) electrons cool rapidly via synchrotron radiation. However, this cooling should steepen their radio spectra beyond what is observed, and so enhanced ionization losses at low energies from high gas densities are also required. Further, evaluating the minimum energy magnetic field strength with the traditional scaling of the synchrotron flux may underestimate the true value in massive starbursts if their magnetic energy density is comparable to the hydrostatic pressure of their disks. Gamma-ray spectra of starburst galaxies, combined with radio data, provide a less ambiguous estimate of these physical properties in starburst nuclei. While the radio flux is most sensitive to the magnetic field, the GeV gamma-ray spectrum normalization depends primarily on gas density. To this end, spectra above 100 MeV were constructed for two nearby starburst galaxies, NGC 253 and M82, using Fermi data. Their nuclear radio and far-infrared spectra from the literature are compared to new models of the steady-state CR distributions expected from starburst galaxies. Models with high magnetic fields, favoring galaxy calorimetry, are overall better fits to the observations. These solutions also imply relatively high densities and CR ionization rates, consistent with molecular cloud studies.

  15. Chandra Images the Seething Cauldron of Starburst Galaxy

    NASA Astrophysics Data System (ADS)

    2000-01-01

    NASA's Chandra X-ray Observatory has imaged the core of the nearest starburst galaxy, Messier 82 (M82). The observatory has revealed a seething cauldron of exploding stars, neutron stars, black holes, 100 million degree gas, and a powerful galactic wind. The discovery will be presented by a team of scientists from Carnegie Mellon University, Pittsburgh, Penn., Pennsylvania State University, University Park, and the University of Michigan, Ann Arbor, on January 14 at the 195th national meeting of the American Astronomical Society. "In the disk of our Milky Way Galaxy, stars form and die in a relatively calm fashion like burning embers in a campfire," said Richard Griffiths, Professor of Astrophysics at Carnegie Mellon University. "But in a starburst galaxy, star birth and death are more like explosions in a fireworks factory." Short-lived massive stars in a starburst galaxy produce supernova explosions, which heat the interstellar gas to millions of degrees, and leave behind neutron stars and black holes. These explosions emit light in the X rays rather than in visible light. Because the superhot components inside starburst galaxies are complex and sometimes confusing, astronomers need an X-ray-detecting telescope with the highest focusing power (spatial resolution) to clearly discriminate the various structures. "NASA's Chandra X-ray Observatory is the perfect tool for studying starburst galaxies since it has the critical combination of high-resolution optics and good sensitivity to penetrating X rays," said Gordon Garmire, the Evan Pugh Professor of Astronomy and Astrophysics at Pennsylvania State University, and head of the team that conceived and built Chandra's Advanced CCD Imaging Spectrograph (ACIS) X-ray camera, which acquired the data. Many intricate structures missed by earlier satellite observatories are now visible in the ACIS image, including more than twenty powerful X-ray binary systems that contain a normal star in a close orbit around a neutron star

  16. EXTENDED HCN AND HCO{sup +} EMISSION IN THE STARBURST GALAXY M82

    SciTech Connect

    Salas, P.; Galaz, G.; Salter, D.; Herrera-Camus, R.; Bolatto, A. D.; Kepley, A.

    2014-12-20

    We mapped 3 mm continuum and line emission from the starburst galaxy M82 using the Combined Array for Research in Millimeter-wave Astronomy. We targeted the HCN, HCO{sup +}, HNC, CS, and HC{sub 3}N lines, but here we focus on the HCN and HCO{sup +} emission. The map covers a field of 1.'2 with an ≈5'' resolution. The HCN and HCO{sup +} observations are short spacings corrected. The molecular gas in M82 had been previously found to be distributed in a molecular disk, coincident with the central starburst, and a galactic scale outflow which originates in the central starburst. With the new short spacings-corrected maps we derive some of the properties of the dense molecular gas in the base of the outflow. From the HCN and HCO{sup +} J = (1-0) line emission, and under the assumptions of the gas being optically thin and in local thermodynamic equilibrium, we place lower limits on the amount of dense molecular gas in the base of the outflow. The lower limits are 7 × 10{sup 6} M {sub ☉} and 21 × 10{sup 6} M {sub ☉}, or ≳ 2% of the total molecular mass in the outflow. The kinematics and spatial distribution of the dense gas outside the central starburst suggests that it is being expelled through chimneys. Assuming a constant outflow velocity, the derived outflow rate of dense molecular gas is ≥0.3 M {sub ☉} yr{sup –1}, which would lower the starburst lifetime by ≥5%. The energy required to expel this mass of dense gas is (1-10) × 10{sup 52} erg.

  17. Extended HCN and HCO+ Emission in the Starburst Galaxy M82

    NASA Astrophysics Data System (ADS)

    Salas, P.; Galaz, G.; Salter, D.; Herrera-Camus, R.; Bolatto, A. D.; Kepley, A.

    2014-12-01

    We mapped 3 mm continuum and line emission from the starburst galaxy M82 using the Combined Array for Research in Millimeter-wave Astronomy. We targeted the HCN, HCO+, HNC, CS, and HC3N lines, but here we focus on the HCN and HCO+ emission. The map covers a field of 1.'2 with an ≈5'' resolution. The HCN and HCO+ observations are short spacings corrected. The molecular gas in M82 had been previously found to be distributed in a molecular disk, coincident with the central starburst, and a galactic scale outflow which originates in the central starburst. With the new short spacings-corrected maps we derive some of the properties of the dense molecular gas in the base of the outflow. From the HCN and HCO+ J = (1-0) line emission, and under the assumptions of the gas being optically thin and in local thermodynamic equilibrium, we place lower limits on the amount of dense molecular gas in the base of the outflow. The lower limits are 7 × 106 M ⊙ and 21 × 106 M ⊙, or >~ 2% of the total molecular mass in the outflow. The kinematics and spatial distribution of the dense gas outside the central starburst suggests that it is being expelled through chimneys. Assuming a constant outflow velocity, the derived outflow rate of dense molecular gas is >=0.3 M ⊙ yr-1, which would lower the starburst lifetime by >=5%. The energy required to expel this mass of dense gas is (1-10) × 1052 erg.

  18. Structure parameters in molecular tunneling ionization theory

    NASA Astrophysics Data System (ADS)

    Wang, Jun-Ping; Li, Wei; Zhao, Song-Feng

    2014-04-01

    We extracted the accurate structure parameters in molecular tunneling ionization theory (so called MO-ADK theory) for 22 selected linear molecules including some inner orbitals. The molecular wave functions with the correct asymptotic behavior are obtained by solving the time-independent Schrödinger equation with B-spline functions and molecular potentials numerically constructed using the modified Leeuwen-Baerends (LBα) model.

  19. THE NATURE OF STARBURSTS. I. THE STAR FORMATION HISTORIES OF EIGHTEEN NEARBY STARBURST DWARF GALAXIES

    SciTech Connect

    McQuinn, Kristen B. W.; Skillman, Evan D.; Stark, David; Weisz, Daniel; Cannon, John M.; Dalcanton, Julianne; Williams, Benjamin; Dolphin, Andrew; Hidalgo-RodrIguez, Sebastian

    2010-09-20

    We use archival Hubble Space Telescope observations of resolved stellar populations to derive the star formation histories (SFHs) of 18 nearby starburst dwarf galaxies. In this first paper, we present the observations, color-magnitude diagrams (CMDs), and the SFHs of the 18 starburst galaxies, based on a homogeneous approach to the data reduction, differential extinction, and treatment of photometric completeness. We adopt a star formation rate (SFR) threshold normalized to the average SFR of the individual system as a metric for classifying starbursts in SFHs derived from resolved stellar populations. This choice facilitates finding not only the currently bursting galaxies but also 'fossil' bursts increasing the sample size of starburst galaxies in the nearby (D < 8 Mpc) universe. Thirteen of the eighteen galaxies are experiencing ongoing bursts and five galaxies show fossil bursts. From our reconstructed SFHs, it is evident that the elevated SFRs of a burst are sustained for hundreds of Myr with variations on small timescales. A long >100 Myr temporal baseline is thus fundamental to any starburst definition or identification method. The longer lived bursts rule out rapid 'self-quenching' of starbursts on global scales. The bursting galaxies' gas consumption timescales are shorter than the Hubble time for all but one galaxy confirming the short-lived nature of starbursts based on fuel limitations. Additionally, we find that the strength of the H{alpha} emission usually correlates with the CMD-based SFR during the last 4-10 Myr. However, in four cases, the H{alpha} emission is significantly less than what is expected for models of starbursts; the discrepancy is due to the SFR changing on timescales of a few Myr. The inherently short timescale of the H{alpha} emission limits identifying galaxies as starbursts based on the current characteristics which may or may not be representative of the recent SFH of a galaxy.

  20. Molecular modeling of nucleic acid structure

    PubMed Central

    Galindo-Murillo, Rodrigo; Bergonzo, Christina

    2013-01-01

    This unit is the first in a series of four units covering the analysis of nucleic acid structure by molecular modeling. This unit provides an overview of computer simulation of nucleic acids. Topics include the static structure model, computational graphics and energy models, generation of an initial model, and characterization of the overall three-dimensional structure. PMID:18428873

  1. Young star clusters in circumnuclear starburst rings

    NASA Astrophysics Data System (ADS)

    de Grijs, Richard; Ma, Chao; Jia, Siyao; Ho, Luis C.; Anders, Peter

    2017-03-01

    We analyse the cluster luminosity functions (CLFs) of the youngest star clusters in two galaxies exhibiting prominent circumnuclear starburst rings. We focus specifically on NGC 1512 and NGC 6951, for which we have access to Hα data that allow us to unambiguously identify the youngest sample clusters. To place our results on a firm statistical footing, we first explore in detail a number of important technical issues affecting the process from converting the observational data into the spectral energy distributions of the objects in our final catalogues. The CLFs of the young clusters in both galaxies exhibit approximate power-law behaviour down to the 90 per cent observational completeness limits, thus showing that star cluster formation in the violent environments of starburst rings appears to proceed similarly as that elsewhere in the local Universe. We discuss this result in the context of the density of the interstellar medium in our starburst-ring galaxies.

  2. The Molecular Structure of Penicillin

    NASA Astrophysics Data System (ADS)

    Bentley, Ronald

    2004-10-01

    The chemical structure of penicillin was determined between 1942 and 1945 under conditions of secrecy established by the U.S. and U.K. governments. The evidence was not published in the open literature but as a monograph. This complex volume does not present a structure proof that can be readily comprehended by a student. In this article, a basic structural proof for the penicillin molecule is provided, emphasizing the chemical work. The stereochemistry of penicillin is also described, and various rearrangements are considered on the basis of the accepted β-lactam structure.

  3. Giant Hα Nebula Surrounding the Starburst Merger NGC 6240

    NASA Astrophysics Data System (ADS)

    Yoshida, Michitoshi; Yagi, Masafumi; Ohyama, Youichi; Komiyama, Yutaka; Kashikawa, Nobunari; Tanaka, Hisashi; Okamura, Sadanori

    2016-03-01

    We revealed the detailed structure of a vastly extended Hα-emitting nebula (“Hα nebula”) surrounding the starburst/merging galaxy NGC 6240 by deep narrow-band imaging observations with the Subaru Suprime-Cam. The extent of the nebula is ˜90 kpc in diameter and the total Hα luminosity amounts to LHα ≈ 1.6 × 1042 erg s-1. The volume filling factor and the mass of the warm ionized gas are ˜10-4-10-5 and ˜5 × 108 M⊙, respectively. The nebula has a complicated structure, which includes numerous filaments, loops, bubbles, and knots. We found that there is a tight spatial correlation between the Hα nebula and the extended soft-X-ray-emitting gas, both in large and small scales. The overall morphology of the nebula is dominated by filamentary structures radially extending from the center of the galaxy. A large-scale bipolar bubble extends along the minor axis of the main stellar disk. The morphology strongly suggests that the nebula was formed by intense outflows—superwinds—driven by starbursts. We also found three bright knots embedded in a looped filament of ionized gas that show head-tail morphologies in both emission-line and continuum, suggesting close interactions between the outflows and star-forming regions. Based on the morphology and surface brightness distribution of the Hα nebula, we propose the scenario that three major episodes of starburst/superwind activities, which were initiated ˜102 Myr ago, formed the extended ionized gas nebula of NGC 6240. Based on data collected at the Subaru Telescope, which is operated by the National Astronomical Observatory of Japan.

  4. GIANT Hα NEBULA SURROUNDING THE STARBURST MERGER NGC 6240

    SciTech Connect

    Yoshida, Michitoshi; Yagi, Masafumi; Komiyama, Yutaka; Kashikawa, Nobunari; Ohyama, Youichi; Okamura, Sadanori

    2016-03-20

    We revealed the detailed structure of a vastly extended Hα-emitting nebula (“Hα nebula”) surrounding the starburst/merging galaxy NGC 6240 by deep narrow-band imaging observations with the Subaru Suprime-Cam. The extent of the nebula is ∼90 kpc in diameter and the total Hα luminosity amounts to L{sub Hα} ≈ 1.6 × 10{sup 42} erg s{sup −1}. The volume filling factor and the mass of the warm ionized gas are ∼10{sup −4}–10{sup −5} and ∼5 × 10{sup 8} M{sub ⊙}, respectively. The nebula has a complicated structure, which includes numerous filaments, loops, bubbles, and knots. We found that there is a tight spatial correlation between the Hα nebula and the extended soft-X-ray-emitting gas, both in large and small scales. The overall morphology of the nebula is dominated by filamentary structures radially extending from the center of the galaxy. A large-scale bipolar bubble extends along the minor axis of the main stellar disk. The morphology strongly suggests that the nebula was formed by intense outflows—superwinds—driven by starbursts. We also found three bright knots embedded in a looped filament of ionized gas that show head-tail morphologies in both emission-line and continuum, suggesting close interactions between the outflows and star-forming regions. Based on the morphology and surface brightness distribution of the Hα nebula, we propose the scenario that three major episodes of starburst/superwind activities, which were initiated ∼10{sup 2} Myr ago, formed the extended ionized gas nebula of NGC 6240.

  5. The Molecular Structure of Penicillin

    ERIC Educational Resources Information Center

    Bentley, Ronald

    2004-01-01

    Overviews of the observations that constitute a structure proof for penicillin, specifically aimed at the general student population, are presented. Melting points and boiling points were criteria of purity and a crucial tool was microanalysis leading to empirical formulas.

  6. The Molecular Structure of Penicillin

    ERIC Educational Resources Information Center

    Bentley, Ronald

    2004-01-01

    Overviews of the observations that constitute a structure proof for penicillin, specifically aimed at the general student population, are presented. Melting points and boiling points were criteria of purity and a crucial tool was microanalysis leading to empirical formulas.

  7. Structured Molecular Gas Reveals Galactic Spiral Arms

    NASA Astrophysics Data System (ADS)

    Sawada, Tsuyoshi; Hasegawa, Tetsuo; Koda, Jin

    2012-11-01

    We explore the development of structures in molecular gas in the Milky Way by applying the analysis of the brightness distribution function and the brightness distribution index (BDI) in the archival data from the Boston University-Five College Radio Astronomy Observatory 13CO J = 1-0 Galactic Ring Survey. The BDI measures the fractional contribution of spatially confined bright molecular emission over faint emission extended over large areas. This relative quantity is largely independent of the amount of molecular gas and of any conventional, pre-conceived structures, such as cores, clumps, or giant molecular clouds. The structured molecular gas traced by higher BDI is located continuously along the spiral arms in the Milky Way in the longitude-velocity diagram. This clearly indicates that molecular gas changes its structure as it flows through the spiral arms. Although the high-BDI gas generally coincides with H II regions, there is also some high-BDI gas with no/little signature of ongoing star formation. These results support a possible evolutionary sequence in which unstructured, diffuse gas transforms itself into a structured state on encountering the spiral arms, followed by star formation and an eventual return to the unstructured state after the spiral arm passage.

  8. STRUCTURED MOLECULAR GAS REVEALS GALACTIC SPIRAL ARMS

    SciTech Connect

    Sawada, Tsuyoshi; Hasegawa, Tetsuo; Koda, Jin

    2012-11-01

    We explore the development of structures in molecular gas in the Milky Way by applying the analysis of the brightness distribution function and the brightness distribution index (BDI) in the archival data from the Boston University-Five College Radio Astronomy Observatory {sup 13}CO J = 1-0 Galactic Ring Survey. The BDI measures the fractional contribution of spatially confined bright molecular emission over faint emission extended over large areas. This relative quantity is largely independent of the amount of molecular gas and of any conventional, pre-conceived structures, such as cores, clumps, or giant molecular clouds. The structured molecular gas traced by higher BDI is located continuously along the spiral arms in the Milky Way in the longitude-velocity diagram. This clearly indicates that molecular gas changes its structure as it flows through the spiral arms. Although the high-BDI gas generally coincides with H II regions, there is also some high-BDI gas with no/little signature of ongoing star formation. These results support a possible evolutionary sequence in which unstructured, diffuse gas transforms itself into a structured state on encountering the spiral arms, followed by star formation and an eventual return to the unstructured state after the spiral arm passage.

  9. Detection of the 158 Micrometers[CII] Transition at z=1.3: Evidence for a Galaxy-Wide Starburst

    NASA Technical Reports Server (NTRS)

    Hailey-Dunsheath, S.; Nikola, T.; Stacey, G. J.; Oberst, T. E.; Parshley, S. C.; Benford, D. J.; Staguhn, J. G.; Tucker, C. E.

    2010-01-01

    We report the detection of 158 micrometer [C II] fine-structure line emission from MIPS J 142824.0+3526l9, a hyperluminous (L(sub IR) approx. 10(exp 13) Solar Luminosity starburst galaxy at z = 1.3. The line is bright, corresponding to a fraction L[C II]/L(sub FIR) approx. equals 2 x l0(exp -3) of the far-IR(FIR) continuum. The [C II], CO, and FIR continuum emission may be modeled as arising from photodissociation regions (PDRs) that have a characteristic gas density of n approx. 10(exp 4.2)/cu cm., and that are illuminated by a far-UV radiation field approx. 10(exp 3.2) times more intense than the local interstellar radiation field. The mass in these PDRs accounts for approximately half of the molecular gas mass in this galaxy. The L[C II]/L(sub F1R) ratio is higher than observed in local ultraluminous infrared galaxies or in the few high-redshift QSOs detected in [C II], but the L[CII]/L(sub FIR) and L(sub CO)/L(sub FIR) ratios are similar to the values seen in nearby starburst galaxies

  10. Detection of the 158 Micrometers[CII] Transition at z=1.3: Evidence for a Galaxy-Wide Starburst

    NASA Technical Reports Server (NTRS)

    Hailey-Dunsheath, S.; Nikola, T.; Stacey, G. J.; Oberst, T. E.; Parshley, S. C.; Benford, D. J.; Staguhn, J. G.; Tucker, C. E.

    2010-01-01

    We report the detection of 158 micrometer [C II] fine-structure line emission from MIPS J 142824.0+3526l9, a hyperluminous (L(sub IR) approx. 10(exp 13) Solar Luminosity starburst galaxy at z = 1.3. The line is bright, corresponding to a fraction L[C II]/L(sub FIR) approx. equals 2 x l0(exp -3) of the far-IR(FIR) continuum. The [C II], CO, and FIR continuum emission may be modeled as arising from photodissociation regions (PDRs) that have a characteristic gas density of n approx. 10(exp 4.2)/cu cm., and that are illuminated by a far-UV radiation field approx. 10(exp 3.2) times more intense than the local interstellar radiation field. The mass in these PDRs accounts for approximately half of the molecular gas mass in this galaxy. The L[C II]/L(sub F1R) ratio is higher than observed in local ultraluminous infrared galaxies or in the few high-redshift QSOs detected in [C II], but the L[CII]/L(sub FIR) and L(sub CO)/L(sub FIR) ratios are similar to the values seen in nearby starburst galaxies

  11. What powers the starburst activity of NGC 1068? Star-driven gravitational instabilities caught in the act

    NASA Astrophysics Data System (ADS)

    Romeo, Alessandro B.; Fathi, Kambiz

    2016-08-01

    We explore the role that gravitational instability plays in NGC 1068, a nearby Seyfert galaxy that exhibits unusually vigorous starburst activity. For this purpose, we use the Romeo-Falstad disc instability diagnostics and data from the BIMA Survey of Nearby Galaxies, the Sloan Digital Sky Survey and the Spectrographic Areal Unit for Research on Optical Nebulae. Our analysis illustrates that NGC 1068 is a gravitationally unstable `monster'. Its starburst disc is subject to unusually powerful instabilities. Several processes, including feedback from the active galactic nucleus and starburst activity, try to quench such instabilities from inside out by depressing the surface density of molecular gas across the central kpc, but they do not succeed. Gravitational instability `wins' because it is driven by the stars via their much higher surface density. In this process, stars and molecular gas are strongly coupled, and it is such a coupling that ultimately triggers local gravitational collapse/fragmentation in the molecular gas.

  12. [Ne V] Emission in Optically Classified Starbursts

    NASA Astrophysics Data System (ADS)

    Abel, N. P.; Satyapal, S.

    2008-05-01

    Detecting active galactic nuclei (AGNs) in galaxies dominated by powerful nuclear star formation and extinction effects poses a unique challenge. Due to the longer wavelength emission and the ionization potential of Ne4+, infrared [Ne V] emission lines are thought to be excellent AGN diagnostics. However, stellar evolution models predict that Wolf-Rayet stars in young stellar clusters emit significant numbers of photons capable of creating Ne4+. Recent observations of [Ne V] emission in optically classified starburst galaxies require us to investigate whether [Ne V] can arise from star formation activity and not an AGN. In this work, we calculate the optical and IR spectrum of gas exposed to a young starburst and AGN SED. We find: (1) a range of parameters where [Ne V] emission can be explained solely by star formation and (2) a range of relative AGN to starburst luminosities that reproduces the [Ne V] observations, yet leaves the optical spectrum looking like a starburst. We also find that infrared emission-line diagnostics are much more sensitive to the AGNs than optical diagnostics, particularly for weak AGNs. We apply our model to the optically classified, yet [Ne V] emitting, starburst galaxy NGC 3621. We find, when taking the infrared and optical spectrum into account, ~30%-50% of the galaxy's total luminosity is due to an AGN. Our calculations show that [Ne V] emission is almost always the result of AGN activity. The models presented in this work can be used to determine the AGN contribution to a galaxy's power output.

  13. Ultraviolet imaging of the AGN+starburst galaxy NGC 1068

    NASA Technical Reports Server (NTRS)

    Neff, Susan G.; Fanelli, Michael N.; Roberts, Laura J.; O'Connell, Robert W.; Bohlin, Ralph; Roberts, Morton S.; Smith, Andrew M.; Stecher, Theodore P.

    1994-01-01

    Images of the Seyfert 2 galaxy NGC 1068 were obtained at two ultraviolet wavelengths by the Ultraviolet Imaging Telescope (UIT). These data represent the first detailed UV imagery of a composite (active galactic nucleus + starburst) disk galaxy. NGC 1068 cotains multiple components at UV wavelengths: the central active galactic nucleus; a population of very luminous starburst knots; a bright oval inner disk; and a fainter, more circular halo. The most luminous knot, which is located approximately 750 pc from the nucleus at PA 315 deg, is approximately 80 times the luminosity of 30 Doradus and gives NGC 1068 a 'double nucleus' appearance in the UV. Significant extended emission is observed throughout the disk, unlike other disk galaxies so far observed in the UV. The radial brightness profile in both UV bandpasses generally follows an exponential decline to approximately 5 kpc. A faint halo extending to approximately 13 kpc is likely to be a galaxian-sized reflection nebula where ambient dust scatters the intense UV continuum from the inner galaxy. UV colors show a striking asymmetric morphology, which is correlated with the observed molecular CO emission.

  14. Structures in Molecular Clouds: Modeling

    SciTech Connect

    Kane, J O; Mizuta, A; Pound, M W; Remington, B A; Ryutov, D D

    2006-04-20

    We attempt to predict the observed morphology, column density and velocity gradient of Pillar II of the Eagle Nebula, using Rayleigh Taylor (RT) models in which growth is seeded by an initial perturbation in density or in shape of the illuminated surface, and cometary models in which structure is arises from a initially spherical cloud with a dense core. Attempting to mitigate suppression of RT growth by recombination, we use a large cylindrical model volume containing the illuminating source and the self-consistently evolving ablated outflow and the photon flux field, and use initial clouds with finite lateral extent. An RT model shows no growth, while a cometary model appears to be more successful at reproducing observations.

  15. The Molecular Structure of Monofluorobenzaldehydes

    NASA Astrophysics Data System (ADS)

    Lozada, Issiah Byen; Sun, Wenhao; van Wijngaarden, Jennifer

    2017-06-01

    The pure rotational spectra of 2- and 3-fluorobenzaldehyde have been investigated using a chirped pulse Fourier transform microwave (FTMW) spectrometer in the range of 8-18 GHz and a Balle-Flygare FTMW spectrometer in the range of 4-26 GHz. As in a previous study of monofluorobenzaldehydes, only transitions due to a single planar conformer were observed for 2-fluorobenzaldehyde (O-trans) whereas two planar conformers (O-trans and O-cis) of 3-fluorobenzaldehydes were confirmed. Transitions due to the seven unique ^{13}C isotopologues of each of the three molecules have been observed for the first time. Their rotational constants were used to derive the effective ground state (r_{0}) and substitution (r_{s}) structures. The results compare favourably with the equilibrium (r_{e}) geometries which were determined following geometry optimization at the MP2/aug-cc-pVTZ level of theory. José L. Alonso and Rosa M. Villamañán, J. Chem. Soc., Faraday Trans. 2, 1989, 85(2), 137-149

  16. On the emergence of molecular structure

    SciTech Connect

    Matyus, Edit; Reiher, Markus; Hutter, Juerg; Mueller-Herold, Ulrich

    2011-05-15

    The structure of (a{sup {+-}},a{sup {+-}},b{sup {+-}})-type Coulombic systems is characterized by the effective ground-state density of the a-type particles, computed via nonrelativistic quantum mechanics without introduction of the Born-Oppenheimer approximation. A structural transition is observed when varying the relative mass of the a- and b-type particles, e.g., between atomic H{sup -} and molecular H{sub 2}{sup +}. The particle-density profile indicates a molecular-type behavior for the positronium ion, Ps{sup -}.

  17. Molecular docking to ensembles of protein structures.

    PubMed

    Knegtel, R M; Kuntz, I D; Oshiro, C M

    1997-02-21

    Until recently, applications of molecular docking assumed that the macromolecular receptor exists in a single, rigid conformation. However, structural studies involving different ligands bound to the same target biomolecule frequently reveal modest but significant conformational changes in the target. In this paper, two related methods for molecular docking are described that utilize information on conformational variability from ensembles of experimental receptor structures. One method combines the information into an "energy-weighted average" of the interaction energy between a ligand and each receptor structure. The other method performs the averaging on a structural level, producing a "geometry-weighted average" of the inter-molecular force field score used in DOCK 3.5. Both methods have been applied in docking small molecules to ensembles of crystal and solution structures, and we show that experimentally determined binding orientations and computed energies of known ligands can be reproduced accurately. The use of composite grids, when conformationally different protein structures are available, yields an improvement in computational speed for database searches in proportion to the number of structures.

  18. Learning surface molecular structures via machine vision

    NASA Astrophysics Data System (ADS)

    Ziatdinov, Maxim; Maksov, Artem; Kalinin, Sergei V.

    2017-08-01

    Recent advances in high resolution scanning transmission electron and scanning probe microscopies have allowed researchers to perform measurements of materials structural parameters and functional properties in real space with a picometre precision. In many technologically relevant atomic and/or molecular systems, however, the information of interest is distributed spatially in a non-uniform manner and may have a complex multi-dimensional nature. One of the critical issues, therefore, lies in being able to accurately identify (`read out') all the individual building blocks in different atomic/molecular architectures, as well as more complex patterns that these blocks may form, on a scale of hundreds and thousands of individual atomic/molecular units. Here we employ machine vision to read and recognize complex molecular assemblies on surfaces. Specifically, we combine Markov random field model and convolutional neural networks to classify structural and rotational states of all individual building blocks in molecular assembly on the metallic surface visualized in high-resolution scanning tunneling microscopy measurements. We show how the obtained full decoding of the system allows us to directly construct a pair density function—a centerpiece in analysis of disorder-property relationship paradigm—as well as to analyze spatial correlations between multiple order parameters at the nanoscale, and elucidate reaction pathway involving molecular conformation changes. The method represents a significant shift in our way of analyzing atomic and/or molecular resolved microscopic images and can be applied to variety of other microscopic measurements of structural, electronic, and magnetic orders in different condensed matter systems.

  19. Learning surface molecular structures via machine vision

    DOE PAGES

    Ziatdinov, Maxim; Maksov, Artem; Kalinin, Sergei V.

    2017-08-10

    Recent advances in high resolution scanning transmission electron and scanning probe microscopies have allowed researchers to perform measurements of materials structural parameters and functional properties in real space with a picometre precision. In many technologically relevant atomic and/or molecular systems, however, the information of interest is distributed spatially in a non-uniform manner and may have a complex multi-dimensional nature. One of the critical issues, therefore, lies in being able to accurately identify (‘read out’) all the individual building blocks in different atomic/molecular architectures, as well as more complex patterns that these blocks may form, on a scale of hundreds andmore » thousands of individual atomic/molecular units. Here we employ machine vision to read and recognize complex molecular assemblies on surfaces. Specifically, we combine Markov random field model and convolutional neural networks to classify structural and rotational states of all individual building blocks in molecular assembly on the metallic surface visualized in high-resolution scanning tunneling microscopy measurements. We show how the obtained full decoding of the system allows us to directly construct a pair density function—a centerpiece in analysis of disorder-property relationship paradigm—as well as to analyze spatial correlations between multiple order parameters at the nanoscale, and elucidate reaction pathway involving molecular conformation changes. Here, the method represents a significant shift in our way of analyzing atomic and/or molecular resolved microscopic images and can be applied to variety of other microscopic measurements of structural, electronic, and magnetic orders in different condensed matter systems.« less

  20. Rotating Starburst Cores In The Most Massive Galaxies At Z=2

    NASA Astrophysics Data System (ADS)

    Tadaki, Ken-ichi

    2017-06-01

    Given the Hubble sequence, massive star-forming galaxies are expected to form a dense core at some point and transform their morphology from disk-dominated to bulge-dominated before quenching the star formation activity. At the peak epoch of galaxy formation (z 2), the most massive star-forming galaxies still have extended disks, but are rapidly building up their central cores through extremely compact starbursts. In this talk, I will present new results from ALMA observations of the CO J=3-2 emission line in two z=2.5 massive galaxies hosting a compact starburst. The spatial extent of star-forming molecular gas is as compact as Re 2 kpc, but more extended than the dust emission. Contrasting the observed position-velocity diagrams to dynamical models, we find the starburst cores to be rotation-dominated. The comparisons among dynamical, stellar, gas, and dust mass suggest that the starburst CO-to-H2 conversion factor is appropriate in the spatially resolved cores. The dense cores are likely to be formed in extreme environments like central regions of local ultraluminous infrared galaxies.

  1. Molecular Association and Structure of Hydrogen Peroxide.

    ERIC Educational Resources Information Center

    Giguere, Paul A.

    1983-01-01

    The statement is sometimes made in textbooks that liquid hydrogen peroxide is more strongly associated than water, evidenced by its higher boiling point and greater heat of vaporization. Discusses these and an additional factor (the nearly double molecular mass of the peroxide), focusing on hydrogen bonds and structure of the molecule. (JN)

  2. Students' Understanding of Molecular Structure Representations

    ERIC Educational Resources Information Center

    Ferk, Vesna; Vrtacnik, Margareta; Blejec, Andrej; Gril, Alenka

    2003-01-01

    The purpose of the investigation was to determine the meanings attached by students to the different kinds of molecular structure representations used in chemistry teaching. The students (n = 124) were from primary (aged 13-14 years) and secondary (aged 17-18 years) schools and a university (aged 21-25 years). A computerised "Chemical…

  3. Molecular Association and Structure of Hydrogen Peroxide.

    ERIC Educational Resources Information Center

    Giguere, Paul A.

    1983-01-01

    The statement is sometimes made in textbooks that liquid hydrogen peroxide is more strongly associated than water, evidenced by its higher boiling point and greater heat of vaporization. Discusses these and an additional factor (the nearly double molecular mass of the peroxide), focusing on hydrogen bonds and structure of the molecule. (JN)

  4. Students' Understanding of Molecular Structure Representations

    ERIC Educational Resources Information Center

    Ferk, Vesna; Vrtacnik, Margareta; Blejec, Andrej; Gril, Alenka

    2003-01-01

    The purpose of the investigation was to determine the meanings attached by students to the different kinds of molecular structure representations used in chemistry teaching. The students (n = 124) were from primary (aged 13-14 years) and secondary (aged 17-18 years) schools and a university (aged 21-25 years). A computerised "Chemical…

  5. How We Teach Molecular Structure to Freshmen.

    ERIC Educational Resources Information Center

    Hurst, Michael O.

    2002-01-01

    Currently molecular structure is taught in general chemistry using three theories, this being based more on historical development rather than logical pedagogy. Electronegativity is taught with a confusing mixture of definitions that do not correspond to modern practice. Valence bond theory and VSEPR are used together in a way that often confuses…

  6. A close view of Galactic Starburst Clusters

    NASA Astrophysics Data System (ADS)

    Brandner, Wolfgang; Stolte, Andrea; Gennaro, Mario; Habibi, Maryam; Hußmann, Benjamin; Kudryavtseva, Natalia; Andersen, Morten; Rochau, Boyke; Zinnecker, Hans

    2013-07-01

    Galactic starburst clusters represent the most extreme mode of present-day star formation in the Milky Way, and are ideal laboratories for studies over the entire stellar mass range from less then 0.1 to more than 120 solar masses. We report on the results of our adaptive optics and HST high angular resolution studies comprising both multi-epoch astrometric monitoring of the cluster's internal and external dynamics, and the photometric and spectroscopic characterization of their stellar populations. Among the most surprising results are i) the distinct motions of Galactic Center starburst clusters with respect to the field, ii) the strict coevality of star formation in the spiral arm clusters NGC 3603 YC and Westerlund 1, and iii) the close agreement between dynamical and photometric mass estimates for each of the clusters (indicating that the clusters are dynamically stable and could survive for extended periods of time).

  7. The Starbursts in the Milky Way

    NASA Astrophysics Data System (ADS)

    Negueruela, I.

    2014-09-01

    High-mass stars are major players in the chemical and dynamical evolution of galaxies, and young massive clusters are the natural laboratories to study their evolution and their impact on star formation processes. Only in recent years have we become aware of the existence of numerous massive (Mcl> 10^4 Msun) clusters in our Galaxy. Here I give a review, rather biased towards my own research interests, of the observational and theoretical efforts that have led to a description of their properties, and present an overview of the two (perhaps three) starburst regions known outside the Galactic Centre neighbourhood: the Scutum Complex, its putative counterpart on the far side of the Long Bar, and the starburst cluster Westerlund 1.

  8. Molecular clouds and galactic spiral structure

    NASA Technical Reports Server (NTRS)

    Cohen, R. S.; Cong, H.; Dame, T. M.; Thaddeus, P.

    1980-01-01

    Two large-scale 2.6 mm CO surveys of the galactic plane, one in the first quadrant (l = 12 to 60 deg, b = -1 to +1 deg), the other in the second (l = 105 to 139 deg, b = -3 to +3 deg), have provided evidence that, contrary to previous findings, molecular clouds constitute a highly specific tracer of spiral structure. Molecular counterparts of five of the classical 21-cm spiral arms have been identified: the Perseus arm, the local arm (including Lindblad's local expanding ring), the Sagittarius arm, the Scutum arm, and the 4-kpc arm. The region between the local arm and the Perseus arm is apparently devoid of molecular clouds, and the interarm regions of the inner Galaxy appear largely so. CO spiral structure implies that the mean lifetime of molecular clouds cannot be greater than 100 million years, the time required for interstellar matter to cross a spiral arm. Conservation of mass then sets a limit on the fraction of the interstellar medium in the form of molecular clouds: it cannot exceed one-half at any distance from the galactic center in the range 4-12 kpc.

  9. Environments of Starburst Galaxies Diagnosed with the NVO

    NASA Astrophysics Data System (ADS)

    Nieto-Santisteban, M. A.; Sosey, M.; de Mello, D.

    2004-12-01

    We present an analysis of the environment of starburst galaxies using the National Virtual Observatory. We have matched the sample of starburst galaxies by Wu et al. (2002) with the Sloan Digital Sky Survey (SDSS) and searched for companions in their neighborhood. We also have compared the starburst sample with the sample of isolated galaxies by Karachentseva (1986) and with the SDSS merging galaxies by Allam et al. (2004). Using color selection criteria from the known sample of starburst galaxies, we have built a database of starburst candidates from the SDSS catalogue. This allowed us to do a more statistical comparison of starburst galaxies, their neighborhoods and possible environmental effects on their evolution. We see the NVO environment as an extrememly useful tool for astronomical research. As such, this poster also details the effective ways in which we were able to access both the SDSS catalogue as well as other internet resources, encorporating the entire project into a very useful internet website.

  10. Compact starbursts in ultraluminous infrared galaxies

    NASA Technical Reports Server (NTRS)

    Condon, J. J.; Huang, Z.-P.; Yin, Q. F.; Thuan, T. X.

    1991-01-01

    The 40 ultraluminous galaxies in the IRAS Bright Galaxy Sample of sources stronger than S = 5.24 Jy at lambda = 60 microns were mapped with approximately 0.25 arcsec resolution at 8.44 GHz. Twenty-five contain diffuse radio sources obeying the FIR-radio correlation; these are almost certainly starburst galaxies. Fourteen other galaxies have nearly blackbody FIR spectra with color temperatures between 60 and 80 K so their (unmeasured) FIR angular sizes must exceed approximately 0.25 arcsec, yet they contain compact (but usually resolved) radio sources smaller than this limit. The unique radio and FIR properties of these galaxies can be modeled by ultraluminous nuclear starbursts so dense that they 67 are optically thick to free-free absorption at about 1.49 GHz and dust absorption at about 25 microns. Only one galaxy (UGC 08058 = Mrk 231) is a dominated by a variable radio source too compact to be an ultraluminous starburst; it must be powered by a 'monster'.

  11. Compact starbursts in ultraluminous infrared galaxies

    NASA Technical Reports Server (NTRS)

    Condon, J. J.; Huang, Z.-P.; Yin, Q. F.; Thuan, T. X.

    1991-01-01

    The 40 ultraluminous galaxies in the IRAS Bright Galaxy Sample of sources stronger than S = 5.24 Jy at lambda = 60 microns were mapped with approximately 0.25 arcsec resolution at 8.44 GHz. Twenty-five contain diffuse radio sources obeying the FIR-radio correlation; these are almost certainly starburst galaxies. Fourteen other galaxies have nearly blackbody FIR spectra with color temperatures between 60 and 80 K so their (unmeasured) FIR angular sizes must exceed approximately 0.25 arcsec, yet they contain compact (but usually resolved) radio sources smaller than this limit. The unique radio and FIR properties of these galaxies can be modeled by ultraluminous nuclear starbursts so dense that they 67 are optically thick to free-free absorption at about 1.49 GHz and dust absorption at about 25 microns. Only one galaxy (UGC 08058 = Mrk 231) is a dominated by a variable radio source too compact to be an ultraluminous starburst; it must be powered by a 'monster'.

  12. How We Teach Molecular Structure to Freshmen

    NASA Astrophysics Data System (ADS)

    Hurst, Michael O.

    2002-06-01

    Currently molecular structure is taught in general chemistry using three theories, this being based more on historical development rather than logical pedagogy. Electronegativity is taught with a confusing mixture of definitions that do not correspond to modern practice. Explaining bond type with electronegativity is also done poorly. Teaching of valence bond theory and molecular orbital theory should be left to upper-level classes where it will be used. Currently, valence bond theory and VSEPR are used together in a way that often confuses the students about the difference between the different theories.

  13. THE IMPACT OF STARBURSTS ON THE CIRCUMGALACTIC MEDIUM

    SciTech Connect

    Borthakur, Sanchayeeta; Heckman, Timothy; Strickland, David; Wild, Vivienne; Schiminovich, David

    2013-05-01

    We present a study exploring the impact of a starburst on the properties of the surrounding circumgalactic medium (CGM): gas located beyond the galaxy's stellar body and extending out to the virial radius ({approx}200 kpc). We obtained ultraviolet spectroscopic data from the Cosmic Origins Spectrograph (COS) probing the CGM of 20 low-redshift foreground galaxies using background QSOs. Our sample consists of starburst and control galaxies. The latter comprises normal star-forming and passive galaxies with similar stellar masses and impact parameters as the starbursts. We used optical spectra from the Sloan Digital Sky Survey to estimate the properties of the starbursts, inferring average ages of {approx}200 Myr and burst fractions involving {approx}10% of their stellar mass. The COS data reveal highly ionized gas traced by C IV in 80%(4/5) of the starburst and in 17%(2/12) of the control sample. The two control galaxies with C IV absorbers differed from the four starbursts in showing multiple low-ionization transitions and strong saturated Ly{alpha} lines. They therefore appear to be physically different systems. We show that the C IV absorbers in the starburst CGM represent a significant baryon repository. The high detection rate of this highly ionized material in the starbursts suggests that starburst-driven winds can affect the CGM out to radii as large as 200 kpc. This is plausible given the inferred properties of the starbursts and the known properties of starburst-driven winds. This would represent the first direct observational evidence of local starbursts impacting the bulk of their gaseous halos, and as such provides new evidence of the importance of this kind of feedback in the evolution of galaxies.

  14. Characterizing Dusty Starbursts at z=2.2 in a High Density Field

    NASA Astrophysics Data System (ADS)

    Dannerbauer, Helmut; de Breuck, Carlos; Miley, George; Emonts, Bjorn; Rottgering, Huub; Kurk, Jaron; Wylezalek, Dominika; Santos, Joana; Koyama, Yusei; Tanaka, Masayuki; Altieri, Bruno; Coia, Daniela; Galametz, Audrey; Lehnert, Matthew; Matiz, Thomas; Kodama, Tadayuki; Sanchez-Portal, Miguel; Valtchanov, Ivan; Venemans, Bram; Ziegler, Bodo; Seymour, Nick

    2014-10-01

    Our APEX-LABOCA 870micron imaging of the proto-cluster field of the radio galaxy MRC1138-262 - the so-called Spiderweb Galaxy - at z=2.16 has uncovered 16 submillimeter galalxies (SMGs) with fluxes of S_870micron>=3mJy. The number counts indicate an excess of SMGs compared to blank fields. Based on an exquisite multi-wavelength dataset including radio and infrared observations, we conclude that in total at least seven of these 16 sources are part of this proto-cluster at z=2.2. Near-infrared spectroscopic observations (Halpha line) confirmed redshifts of z=2.16 for four of these SMGs. We request CO(1-0) observations of these four LABOCA sources identified to be part of the proto-cluster structure. We aim to characterize the general properties of the cold molecular gas reservoir: mass, gas depletion time scale, star formation efficiency and dynamics. We will compare the properties of our SMGs located in a high density region with dusty starbursts selected from blank fields, probing environmental-dependent evolution. Studying the molecular gas properties of the individual proto-cluster members will enable us to characterize in more detail the overall properties of this proto-cluster. The proposed observations will pave the road both for future ALMA follow-up observations of higher CO transitions and subsequent JVLA observations at higher spatial resolution.

  15. Structural effects in molecular metal halides.

    PubMed

    Hargittai, Magdolna

    2009-03-17

    Metal halides are a relatively large class of inorganic compounds that participate in many industrial processes, from halogen metallurgy to the production of semiconductors. Because most metal halides are ionic crystals at ambient conditions, the term "molecular metal halides" usually refers to vapor-phase species. These gas-phase molecules have a special place in basic research because they exhibit the widest range of chemical bonding from the purely ionic to mostly covalent bonding through to weakly interacting systems. Although our focus is basic research, knowledge of the structural and thermodynamic properties of gas-phase metal halides is also important in industrial processes. In this Account, we review our most recent work on metal halide molecular structures. Our studies are based on electron diffraction and vibrational spectroscopy, and increasingly, we have augmented our experimental work with quantum chemical computations. Using both experimental and computational techniques has enabled us to determine intriguing structural effects with better accuracy than using either technique alone. We loosely group our discussion based on structural effects including "floppiness", relativistic effects, vibronic interactions, and finally, undiscovered molecules with computational thermodynamic stability. Floppiness, or serious "nonrigidity", is a typical characteristic of metal halides and makes their study challenging for both experimentalists and theoreticians. Relativistic effects are mostly responsible for the unique structure of gold and mercury halides. These molecules have shorter-than-expected bonds and often have unusual geometrical configurations. The gold monohalide and mercury dihalide dimers and the molecular-type crystal structure of HgCl(2) are examples. We also examined spin-orbit coupling and the possible effect of the 4f electrons on the structure of lanthanide trihalides. Unexpectedly, we found that the geometry of their dimers depends on the f

  16. THE NATURE OF STARBURSTS. II. THE DURATION OF STARBURSTS IN DWARF GALAXIES

    SciTech Connect

    McQuinn, Kristen B. W.; Skillman, Evan D.; Stark, David; Weisz, Daniel; Cannon, John M.; Dalcanton, Julianne; Williams, Benjamin; Dolphin, Andrew; Hidalgo-RodrIguez, Sebastian

    2010-11-20

    The starburst phenomenon can shape the evolution of the host galaxy and the surrounding intergalactic medium. The extent of the evolutionary impact is partly determined by the duration of the starburst, which has a direct correlation with both the amount of stellar feedback and the development of galactic winds, particularly for smaller mass dwarf systems. We measure the duration of starbursts in twenty nearby, ongoing, and 'fossil' starbursts in dwarf galaxies based on the recent star formation histories derived from resolved stellar population data obtained with the Hubble Space Telescope. Contrary to the shorter times of 3-10 Myr often cited, the starburst durations we measure range from 450to650 Myr in fifteen of the dwarf galaxies and up to 1.3 Gyr in four galaxies; these longer durations are comparable to or longer than the dynamical timescales for each system. The same feedback from massive stars that may quench the flickering star formation does not disrupt the overall burst event in our sample of galaxies. While five galaxies present fossil bursts, fifteen galaxies show ongoing bursts and thus the final durations may be longer than we report here for these systems. One galaxy shows a burst that has been ongoing for only 20 Myr; we are likely seeing the beginning of a burst event in this system. Using the duration of the starbursts, we calculate that the bursts deposited 10{sup 53.9}-10{sup 57.2} erg of energy into the interstellar medium through stellar winds and supernovae, and produced 3%-26% of the host galaxy's mass.

  17. 2004 Reversible Associations in Structure & Molecular Biology

    SciTech Connect

    Edward Eisenstein Nancy Ryan Gray

    2005-03-23

    The Gordon Research Conference (GRC) on 2004 Gordon Research Conference on Reversible Associations in Structure & Molecular Biology was held at Four Points Sheraton, CA, 1/25-30/2004. The Conference was well attended with 82 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students.

  18. Anatomy of Starbursts in Extragalactic Giant HII Regions

    NASA Astrophysics Data System (ADS)

    Evans, Jessica

    2011-10-01

    Extragalactic giant HII regions {EGHRs} are sites of active, concentrated star formation, and thus provide excellent labs to analyze starburst phenomenon. Although they have been known for a long time, ground-based observations cannot resolve the physical structures and stellar content of EGHRs. The high resolution and sensitivity of Hubble Space Telescope {HST} are ideal for detailed studies of EGHRs. We have searched the Hubble Legacy Archives {HLA} and found 17 nearby galaxies, within 15 Mpc, with H-alpha and continuum images. We propose to use these images to study the three top-ranking HII regions in each galaxy. While these 51 HII regions span a range in luminosity, most of them are bonafide EGHRs, with H-alpha luminosity greater than a few times 10^39 ergs/s. We will use the H-alpha image to study the distribution and physical structure of the gas in each HII region and determine its H-alpha luminosity and required ionizing flux. We will use the continuum images to determine whether concentrated clusters or distributed OB associations reside in these HII regions, and use photometric measurements to determine the mass and age spread of the resolved stellar population. These will then be compared with the interstellar structures. The results will help us understand the starburst phenomenon and answer questions such as: Are globular clusters formed in EGHRs? How does star formation proceed in an EGHR? How does the physical structure of an EGHR relate to the luminosity, physical location in the host galaxy, and the host galaxy type?

  19. 8B structure in Fermionic Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Henninger, K. R.; Neff, T.; Feldmeier, H.

    2015-04-01

    The structure of the light exotic nucleus 8B is investigated in the Fermionic Molecular Dynamics (FMD) model. The decay of 8B is responsible for almost the entire high- energy solar-neutrino flux, making structure calculations of 8B important for determining the solar core temperature. 8B is a proton halo candidate thought to exhibit clustering. FMD uses a wave-packet basis and is well-suited for modelling clustering and halos. For a multiconfiguration treatment we construct the many-body Hilbert space from antisymmetrised angular-momentum projected 8-particle states. First results show formation of a proton halo.

  20. Anatomy of Starbursts in Extragalactic Giant HII Regions

    NASA Astrophysics Data System (ADS)

    Evans, Jessica Marie; Chu, You-Hua

    2013-06-01

    Extragalactic giant HII regions (EGHRs) are sites of active, concentrated star formation, and thus provide excellent labs to analyze the starburst phenomenon. Although they have been known for a long time, ground-based observations cannot resolve the physical structures and stellar content of EGHRs. The high resolution and sensitivity of Hubble Space Telescope (HST) are ideal for detailed studies of EGHRs. We have searched the Hubble Legacy Archives (HLA) and found > 10 nearby galaxies, within 20 Mpc, with H-α and continuum images. To determine the best methods for analyzing these data, we perform an in-depth analysis of the EGHRs in M51. M51 is a face-on spiral galaxy 8.4 Mpc away, with well-resolved multi-wavelength observations in the HLA. We sample the 20 most luminous HII regions in M51, and the top three in several other galaxies, many of which are bonafide EGHRs with an H-α luminosity > 10^{39} ergs s^{-1}. We use the H-α image to study the distribution and physical structure of the gas in each HII region and determine its H-α luminosity and required ionizing flux. We use the continuum images to determine whether super stellar clusters (SSCs) are found in these HII regions, and use photometric measurements to determine the mass and age spread of the resolved stellar population. These are then compared with the interstellar structures. The results help us provide the groundwork for studying EGHRs in multiple galaxies and elucidate the starburst phenomenon by investigating questions such as: What role does environment play in the formation of EGHRs? How do EGHRs evolve? How does star formation proceed in an EGHR?

  1. FAR-INFRARED PROPERTIES OF SPITZER-SELECTED LUMINOUS STARBURSTS

    SciTech Connect

    Kovacs, A.; Omont, A.; Fiolet, N.; Beelen, A.; Dole, H.; Lagache, G.; Lonsdale, C.; Polletta, M.; Greve, T. R.; Borys, C.; Dowell, C. D.; Bell, T. A.; Cox, P.; De Breuck, C.; Farrah, D.; Menten, K. M.; Owen, F.

    2010-07-01

    We present SHARC-2 350 {mu}m data on 20 luminous z {approx} 2 starbursts with S{sub 1.2{sub mm}} > 2 mJy from the Spitzer-selected samples of Lonsdale et al. and Fiolet et al. All the sources were detected, with S{sub 350{sub {mu}m}} > 25 mJy for 18 of them. With the data, we determine precise dust temperatures and luminosities for these galaxies using both single-temperature fits and models with power-law mass-temperature distributions. We derive appropriate formulae to use when optical depths are non-negligible. Our models provide an excellent fit to the 6 {mu}m-2 mm measurements of local starbursts. We find characteristic single-component temperatures T{sub 1} {approx_equal} 35.5 {+-} 2.2 K and integrated infrared (IR) luminosities around 10{sup 12.9{+-}0.1} L{sub sun} for the SWIRE-selected sources. Molecular gas masses are estimated at {approx_equal}4 x 10{sup 10} M{sub sun}, assuming {kappa}{sub 850{sub {mu}m}} = 0.15 m{sup 2} kg{sup -1} and a submillimeter-selected galaxy (SMG)-like gas-to-dust mass ratio. The best-fit models imply {approx_gt}2 kpc emission scales. We also note a tight correlation between rest-frame 1.4 GHz radio and IR luminosities confirming star formation as the predominant power source. The far-IR properties of our sample are indistinguishable from the purely submillimeter-selected populations from current surveys. We therefore conclude that our original selection criteria, based on mid-IR colors and 24 {mu}m flux densities, provides an effective means for the study of SMGs at z {approx} 1.5-2.5.

  2. The formation of NGC 3603 young starburst cluster: `prompt' hierarchical assembly or monolithic starburst?

    NASA Astrophysics Data System (ADS)

    Banerjee, Sambaran; Kroupa, Pavel

    2015-02-01

    The formation of very young massive clusters or `starburst' clusters is currently one of the most widely debated topic in astronomy. The classical notion dictates that a star cluster is formed in situ in a dense molecular gas clump. The stellar radiative and mechanical feedback to the residual gas energizes the latter until it escapes the system. The newly born gas-free young cluster eventually readjusts with the corresponding mass-loss. Based on the observed substructured morphologies of many young stellar associations, it is alternatively suggested that even the smooth-profiled massive clusters are also assembled from migrating less massive subclusters. A very young (age ≈ 1 Myr), massive (>104 M⊙) star cluster like the Galactic NGC 3603 young cluster (HD 97950) is an appropriate testbed for distinguishing between the above `monolithic' and `hierarchical' formation scenarios. A recent study by Banerjee & Kroupa demonstrates that the monolithic scenario remarkably reproduces the HD 97950 cluster. In particular, its shape, internal motion and the mass distribution of stars are found to follow naturally and consistently from a single model calculation undergoing ≈70 per cent by mass gas dispersal. In this work, we explore the possibility of the formation of the above cluster via hierarchical assembly of subclusters. These subclusters are initially distributed over a wide range of spatial volumes and have various modes of subclustering in both absence and presence of a background gas potential. Unlike the above monolithic initial system that reproduces HD 97950 very well, the same is found to be prohibitive with hierarchical assembly alone (with/without a gas potential). Only those systems which assemble promptly into a single cluster (in ≲1 Myr) from a close separation (all within ≲2 pc) could match the observed density profile of HD 97950 after a similar gas removal. These results therefore suggest that the NGC 3603 young cluster has formed essentially

  3. Starburst Driven Superbubbles Radiating to 10 K

    NASA Astrophysics Data System (ADS)

    Tanner, Ryan; Cecil, Gerald; Heitsch, Fabian

    2016-01-01

    Starburst driven superbubbles can produce large scale galactic outflows. Whether any given starburst can create an outflow depends on several variables including the rate at which energy and mass are injected into the interstellar medium (ISM), the radiative cooling prescription used, and the overall density distribution of the ISM. We investigate the effect that two different temperature floors in our radiative cooling prescription have on wind kinematics and content. We find that cooling to 10 K instead of to 104 K increases the mass fraction of cold neutral and hot X-ray gas in the galactic wind while halving that in warm Hα. For sufficiently powerful starbursts our cooling prescription does not affect the terminal velocity of gas within the superbubble. Filaments embedded in the hot galactic wind contain warm and cold gas which moves slower than the surrounding wind, with the coldest gas hardly moving with respect to the galaxy. Optically bright filaments form at the edge of merging superbubbles and if anchored to a star forming complex will persist and grow to > 400 pc in length. These filaments are the main source of warm and cold gas being transported into the galactic halo. Using synthetic absorption profiles we measure the velocity of the warm and hot gas phases and find vwarm ∝ vhot0.5. We also find that vhot ∝ SFR0.5, which implies vwarm ∝ SFR0.25. Warm and cold gas embedded in the galactic wind show asymmetric absorption profiles consistent with observations and theoretical predictions. These asymmetries can be used to infer the kinematics of the filaments and associated dense cores.

  4. Molecular Structure of a Functional Drosophila Centromere

    PubMed Central

    Sun, Xiaoping; Wahlstrom, Janice

    2011-01-01

    Summary Centromeres play a critical role in chromosome inheritance but are among the most difficult genomic components to analyze in multicellular eukaryotes. Here, we present a highly detailed molecular structure of a functional centromere in a multicellular organism. The centromere of the Drosophila minichromosome Dp1187 is contained within a 420 kb region of centric heterochromatin. We have used a new approach to characterize the detailed structure of this centromere and found that it is primarily composed of satellites and single, complete transposable elements. In the rest of the Drosophila genome, these satellites and transposable elements are neither unique to the centromeres nor present at all centromeres. We discuss the impact of these results on our understanding of heterochromatin structure and on the determinants of centromere identity and function. PMID:9428523

  5. Molecular Dynamics Modeling of Hydrated Calcium-Silicate-Hydrate (CSH) Cement Molecular Structure

    DTIC Science & Technology

    2014-08-30

    properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown...public release; distribution is unlimited. Molecular Dynamics Modeling of Hydrated Calcium-Silicate- Hydrate (CSH) Cement Molecular Structure The views... Cement Molecular Structure Report Title Multi-scale modeling of complex material systems requires starting from fundamental building blocks to

  6. Near-IR spectral evolution of dusty starburst galaxies

    NASA Astrophysics Data System (ADS)

    Lançon, Ariane; Rocca-Volmerange, Brigitte

    1996-11-01

    We propose a multicomponent analysis of starburst galaxies, based on a model that takes into account the young and evolved stellar components and the gas emission, with their respective extinction, in the frame of a coherent dust distribution pattern. Near-IR signatures are preferentially investigated, in order to penetrate as deep as possible into the dusty starburst cores. We computed the 1.4-2.5 μm spectra of synthetic stellar populations evolving through strong, short timescale bursts of star formation (continuum and lines, R ≃ 500). The evolution model is specifically sensitive to cool stellar populations (AGB and red supergiant stars). It takes advantage of the stellar library of Lançon & Rocca-Volmerange (1992) [A&ASS, 96, 593], observed with the same instrument (FTS/CFHT) as the analysed galaxy sample, so that the instrumental effects are minimised. The main near-IR observable constraints are the molecular signatures of CO and H2O and the slope of the continuum, observed over a range exceptionally broad for spectroscopic data. The H - K colour determined from the spectra measures the intrinsic stellar energy distribution but also differential extinction, which is further constrained by optical emission line ratios. Other observational constraints are the near-IR emission lines (Brγ, He I 2.06 μm, [Fe II] 1.64 μm, H2 2.12 μm) and the far-IR luminosity. The coherence of the results relies on the interpretation in terms of stellar populations from which all observable properties are derived, so that the link between the various wavelength ranges is secured. The luminosity LK is used for the absolute calibration. We apply this approach to the typical spectrum of the core of NGC 1614. Consistent solutions for the starburst characteristics (star-formation rate, IMF, burst age, morphology) are found and the role of each observational constraint in deriving satisfactory models is extensively discussed. The acceptable contamination of the K band light by the

  7. An infrared study of starbursts in the interacting galaxy pair Arp 299 (NGC 3690+IC 694)

    SciTech Connect

    Nakagawa, Takao; Nagata, Tetsuya; Geballe, T.R.; Okuda, Haruyuki; Shibai, Hiroshi; Tokyo Univ.; Kyoto Univ.; Joint Astronomy Center, Hilo, HI; Institute of Space and Astronautical Science, Sagamihara )

    1989-05-01

    Extensive infrared observations have been obtained of the three active regions in Arp 299. Multiaperture JHK photometry reveals that the colors of the three regions are totally different from each other, and that there are very red nuclei smaller than 4 arcsec in two of them. Multiaperture spectroscopy of the Br-gamma and the shock-excited H2 lines shows that both the atomic and molecular lines are spatially extended, indicating that Arp 299 is undergoing an active episode of star formation not only in its nuclei but also well outside of them. Although there is some evidence that suggests the presence of a compact, active galactic nucleus, a simple starburst model can explain the bolometric luminosities, production rates of ionizing photons, and H24 line luminosities of each active region in Arp 299. However, each starburst cannot last longer than 10 to the 8th yr. 56 refs.

  8. High resolution sub-millimetre mapping of starburst galaxies: Comparison with CO emission

    NASA Technical Reports Server (NTRS)

    Smith, P. A.; Brand, P. W. J. L.; Puxley, Phil J.; Mountain, C. M.; Nakai, Naomasa

    1990-01-01

    Researchers present first results from a program of submillimeter continuum mapping of starburst galaxies, and comparison of their dust and CO emission. This project was prompted by surprising results from the first target, the nearby starburst M82, which shows in the dust continuum a morphology quite unlike that of its CO emission, in contrast to what might be expected if both CO and dust are accurately tracing the molecular hydrogen. Possible explanations for this striking difference are discussed. In the light of these results, the program has been extended to include sub-mm mapping of the nearby, vigorously star forming spirals, M83 and Maffei 2. The latter were also observed extensively in CO, in order to study excitation conditions in its central regions. The James Clerk Maxwell Telescope was used in these studies.

  9. ALMA Maps of Dust and Warm Dense Gas Emission in the Starburst Galaxy IC 5179

    NASA Astrophysics Data System (ADS)

    Zhao, Yinghe; Lu, Nanyao; Díaz-Santos, Tanio; Xu, C. Kevin; Gao, Yu; Charmandaris, Vassilis; van der Werf, Paul; Zhang, Zhi-Yu; Cao, Chen

    2017-08-01

    We present our high-resolution (0.″15 × 0.″13, ˜34 pc) observations of the CO (6-5) line emission, which probes the warm and dense molecular gas, and the 434 μm dust continuum emission in the nuclear region of the starburst galaxy IC 5179, conducted with the Atacama Large Millimeter Array (ALMA). The CO (6-5) emission is spatially distributed in filamentary structures with many dense cores and shows a velocity field that is characteristic of a circumnuclear rotating gas disk, with 90% of the rotation speed arising within a radius of ≲150 pc. At the scale of our spatial resolution, the CO (6-5) and dust emission peaks do not always coincide, with their surface brightness ratio varying by a factor of ˜10. This result suggests that their excitation mechanisms are likely different, as further evidenced by the southwest to northeast spatial gradient of both CO-to-dust continuum ratio and Pa-α equivalent width. Within the nuclear region (radius ˜ 300 pc) and with a resolution of ˜34 pc, the CO line flux (dust flux density) detected in our ALMA observations is 180 ± 18 Jy km s-1 (71 ± 7 mJy), which accounts for 22% (2.4%) of the total value measured by Herschel. The National Radio Astronomy Observatory is a facility of the National Science Foundation operated under cooperative agreement by Associated Universities, Inc.

  10. Blueberry Galaxies: The Lowest Mass Young Starbursts

    NASA Astrophysics Data System (ADS)

    Yang, Huan; Malhotra, Sangeeta; Rhoads, James E.; Wang, Junxian

    2017-09-01

    Searching for extreme emission line galaxies allows us to find low-mass metal-poor galaxies that are good analogs of high redshift Lyα emitting galaxies. These low-mass extreme emission line galaxies are also potential Lyman-continuum leakers. Finding them at very low redshifts (z≲ 0.05) allows us to be sensitive to even lower stellar masses and metallicities. We report on a sample of extreme emission line galaxies at z≲ 0.05 (blueberry galaxies). We selected them from SDSS broadband images on the basis of their broadband colors and studied their properties with MMT spectroscopy. From the entire SDSS DR12 photometric catalog, we found 51 photometric candidates. We spectroscopically confirm 40 as blueberry galaxies. (An additional seven candidates are contaminants, and four remain without spectra.) These blueberries are dwarf starburst galaxies with very small sizes (<1 kpc) and very high ionization ([O iii]/[O ii] ∼ 10–60). They also have some of the lowest stellar masses ({log}(M/{M}ȯ )∼ 6.5{--}7.5) and lowest metallicities (7.1< 12+{log}({{O}}/{{H}})< 7.8) of starburst galaxies. Thus, they are small counterparts to green pea galaxies and high redshift Lyα emitting galaxies.

  11. Investigating Starburst Galaxy Emission Line Equivalent Widths

    NASA Astrophysics Data System (ADS)

    Meskhidze, Helen; Richardson, Chris T.

    2016-01-01

    Modeling star forming galaxies with spectral synthesis codes allows us to study the gas conditions and excitation mechanisms that are necessary to reproduce high ionization emission lines in both local and high-z galaxies. Our study uses the locally optimally-emitting clouds model to develop an atlas of starburst galaxy emission line equivalent widths. Specifically, we address the following question: What physical conditions are necessary to produce strong high ionization emission lines assuming photoionization via starlight? Here we present the results of our photoionization simulations: an atlas spanning 15 orders of magnitude in ionizing flux and 10 orders of magnitude in hydrogen density that tracks over 150 emission lines ranging from the UV to the near IR. Each simulation grid contains ~1.5x104 photoionization models calculated by supplying a spectral energy distribution, grain content, and chemical abundances. Specifically, we will be discussing the effects on the emission line equivalent widths of varying the metallicity of the cloud, Z = 0.2 Z⊙ to Z = 5.0 Z⊙, and varying the star-formation history, using the instantaneous and continuous evolution tracks and the newly released Starburst99 Geneva rotation tracks.

  12. Direct Measurement of the Supernova Rate in Starburst Galaxies

    NASA Technical Reports Server (NTRS)

    Bregman, Jesse D.; Temi, Pasquale; Rank, David; DeVincenzi, Donald L. (Technical Monitor)

    1999-01-01

    Supernovae play a key role in the dynamics, structure, and chemical evolution of galaxies. The massive stars that end their lives as supernovae live for short times. Many are still associated with dusty star formation regions when they explode, making them difficult to observe at visible wavelengths. In active star forming regions (galactic nuclei and starburst regions), dust extintion is especially severe. Thus, determining the supernova rate in the active star forming regions of galaxies, where the supernova rate can be one or two orders of magnitude higher than the average, has proven to be difficult. From observations of SN1987A, we know that the [NiII] 6.63 micron emission line was the strongest line in the infrared spectrum for a period of a year and a half after the explosion. Since dust extintion is much less at 6.63 pm than at visible wavelengths (A(sub 6.63)/A(sub V) = 0.025), the NiII line can be used as a sensitive probe for the detection of recent supernovae. We have observed a sample of starburst galaxies at 6.63 micron using ISOCAM to search for the NiII emission line characteristic of recent supernovae. We did not detect any NiII line emission brighter than a 5sigma limit of 5 mJy. We can set upper limits to the supernova rate in our sample, scaled to the rate in M82, of less than 0.3 per year at the 90% confidence level using Bayesian methods. Assuming that a supernova would have a NiII with the same luminosity as observed in SN1987A, we find less than 0.09 and 0.15 per year at the 50% and 67% confidence levels. These rates are somewhat less if a more normal type II supernovae has a NiII line luminosity greater than the line in SN1987A.

  13. Direct Measurement of the Supernova Rate in Starburst Galaxies

    NASA Technical Reports Server (NTRS)

    Bregman, J. D.; Temi, P.; Rank, D.

    2000-01-01

    Supernovae play a key role in the dynamics, structure, and chemical evolution of galaxies. The massive stars that end their lives as supernovae live for short enough times that many are still associated with dusty star formation regions when they explode, making them difficult to observe at visible wavelengths. In active star forming regions (galactic nuclei and starburst regions), dust extinction is especially severe. Thus, determining the supernova rate in active star forming regions of galaxies, where the supernova rate can be one or two orders of magnitude higher than the average, has proven to be difficult. From observations of SN1987A, we know that the [NiII] 6.63 micrometer emission line was the strongest line in the infrared spectrum for a period of a year and half after th explosion. Since dust extinction is much less at 6.63 micrometers than at visible wavelengths (A(sub 6.63)/A(sub V) = 0.025), the [NiII] line can be used as a sensitive probe for the detection of recent supernovae. We have observed a sample of starburst galaxies at 6.63 micrometers using ISOCAM to search for the [NiII] emission line characteristic of recent supernovae. We did not detect any [NiII] line emission brighter than a 5-sigma limit of 5 mJy. We can set upper limits to the supernova rate in our sample, scaled ot the rate in M82, of less than 0.3 per year at the 90% confidence level using Bayesian methods. Assuming that a supernova would have a [NiII] line with the same luminosity as observed in SN1987A, we find less than 0.09 and 0.15 per year at the 50% and 67% confidence levels. These rates are somewhat less if a more normal type II supernovae has a [NiII] line luminosity greater than the line in SN1987A.

  14. [Molecular structure and fractal analysis of oligosaccharide].

    PubMed

    Liu, Wen-long; Wang, Lu-man; He, Dong-qi; Zhang, Tian-lan; Gou, Bao-di; Li, Qing

    2014-10-18

    To propose a calculation method of oligosaccharides' fractal dimension, and to provide a new approach to studying the drug molecular design and activity. By using the principle of energy optimization and computer simulation technology, the steady structures of oligosaccharides were found, and an effective way of oligosaccharides fractal dimension's calculation was further established by applying the theory of box dimension to the chemical compounds. By using the proposed method, 22 oligosaccharides' fractal dimensions were calculated, with the mean 1.518 8 ± 0.107 2; in addition, the fractal dimensions of the two activity multivalent oligosaccharides which were confirmed by experiments, An-2 and Gu-4, were about 1.478 8 and 1.516 0 respectively, while C-type lectin-like receptor Dectin-1's fractal dimension was about 1.541 2. The experimental and computational results were expected to help to find a class of glycoside drugs whose target receptor was Dectin-1. Fractal dimension, differing from other known macro parameters, is a useful tool to characterize the compound molecules' microscopic structure and function, which may play an important role in the molecular design and biological activity study. In the process of oligosaccharides drug screening, the fractal dimension of receptor and designed oligosaccharides or glycoclusters can be calculated respectively. The oligosaccharides with fractal dimension close to that of target receptor should then take priority compared with others, to get the drug molecules with latent activity.

  15. Super star clusters in the starburst core of M82

    NASA Astrophysics Data System (ADS)

    Westmoquette, Mark

    2009-07-01

    M82 is the archetype starburst galaxy and the nearest {3.6 Mpc} analogue to the star-forming galaxies identified at high-z. No other galaxy affords the opportunity to study an active starburst at such high spatial resolution, and with such a wealth of complimentary data available in the literature. In our cycle 10 STIS programme, we carried out the first spectroscopic study of a cluster in the core of the M82 starburst. Intriguingly, we found this young {6.5 Myr} cluster to be surrounded by a compact {4.5 pc}, high-pressure HII region, whose evolution appears to have been significantly affected by the high ambient pressures found in this region of the starburst. We therefore propose to obtain spatially resolved STIS spectroscopy of a sample of star clusters within the starburst core, distributed over a range of ambient conditions. Together with measuring accurate ages, masses, sizes, and extinctions of the star clusters, we will also measure the properties of their immediate environments {gas dynamics, pressures/densities, excitations}. Only with the spatial resolution of STIS can we isolate individual clusters in the crowded starburst core of M82, where the background is also bright and highly variable.The data from this proposal will uniquely chart relationships between SSCs and the ISM in their immediate vicinities. By so doing, they will provide the first systematic measurements of how SSCs transmit their power to their surroundings, and ultimately to the starburst-powered galactic wind.

  16. Viewpoint 9--molecular structure of aqueous interfaces

    NASA Technical Reports Server (NTRS)

    Pohorille, A.; Wilson, M. A.

    1993-01-01

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

  17. Viewpoint 9--molecular structure of aqueous interfaces.

    PubMed

    Pohorille, A; Wilson, M A

    1993-01-01

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

  18. Uncovering the Beast: The Galactic Starburst Region W49A

    NASA Astrophysics Data System (ADS)

    Homeier, N.; Alves, J.

    2002-12-01

    We present J, H, and Ks images of an unbiased 5‧ x 5‧ (16 pc x 16 pc) survey of the densest region of the W49 giant molecular cloud. The observations reveal a massive stellar cluster (Cluster 1) about 3 pc East of the well-known Welch ring of ultra-compact H II regions, as well as three smaller clusters associated with compact sources of radio emission. Cluster 1 powers a 6 pc diameter giant H II region seen at both the NIR and radio continuum, and has more than 30 visual magnitudes of internal imhomogeneous extinction, implying that it is still deeply embedded in its parent molecular cloud. The census of massive stars in W49A agrees or slightly overabundant when compared with the number of Lyman continuum photons derived from radio observations. We argue that although the formation of the Welch ring could have been triggered by Cluster 1, the entire W49A starburst region seems to have been multi-seeded instead of resulting from a coherent trigger.

  19. The luminous starburst galaxy UGC 8387

    NASA Technical Reports Server (NTRS)

    Smith, Denise A.; Herter, Terry; Haynes, Martha P.; Beichman, C. A.; Gautier, T. N. Iii

    1995-01-01

    We present broad-band J, H, and K images and K-band spectroscopy of the luminous starburst galaxy UGC 8387. The images show a disturbed morphology, tidal tails, and a single elognated nucleus. Near infrared color maps constructed from the images reveal that the nucleus region is highly reddened. Strong emission from the central 3 arcseconds in the 2.166 micrometer Brackett gamma, 2.122 micrometer H2 v = 1-0 S(1), and 2.058 micrometer He I lines is present in the K-band spectrum. From the Brackett gamma and published radio fluxes, we find an optical depth toward the nucleus of tau(sub V) approximately 24. The CO band heads produce strong absorption in the spectral region long-ward of 2.3 micrometers. We measure a 'raw' CO index of 0.17 +/- 0.02 mag, consistent with a population of K2 supergiants of K4 giants. The nuclear colors, however, are not consistent with an obscured population of evolved stars. Instead, the red colors are best explained by an obscured mixture of stellar and warm dust emission. The amount of dust emission predicted by the near-infrared colors exceeds that expected from comparisons to galactic H II regions. After correcting the spectrum of UGC 8387 for dust emission and extinction, we obtain a CO index of greater than or equal to 0.25 mag. This value suggests the stellar component of the 2.2 micrometer light is dominated by young supergiants. The infrared excess, L(sub IR)/L(sub Ly alpha) derived for UGC 8387 is lower than that observed in galactic H II regions and M82. This implies that either the lower or upper mass cutoff of the initial mass function must be higher than those of local star-forming regions and M82. The intense nuclear starburst in this galaxy is presumably the result of merger activity; and we estimate the starburst age to be at least a few times 10(exp 7) yr.

  20. Starbursts: From 30 Doradus to Lyman Break Galaxies

    NASA Astrophysics Data System (ADS)

    de Grijs, R.; González Delgado, R. M.

    2005-05-01

    Starbursts are important features of early galaxy evolution. Many of the distant, high-redshift galaxies we are able to detect are in a starbursting phase, often apparently provoked by a violent gravitational interaction with another galaxy. In fact, if we did not know that major starbursts existed, these conference proceedings testify that we would indeed have difficulties explaining the key properties of the Universe! The enhanced synergy facilitated by the collaboration among observers using cutting-edge ground and space-based facilities, theorists and modellers has made these proceedings into a true reflection of the state of the art in this very rapidly evolving field.

  1. Molecular structure of the collagen triple helix.

    PubMed

    Brodsky, Barbara; Persikov, Anton V

    2005-01-01

    The molecular conformation of the collagen triple helix confers strict amino acid sequence constraints, requiring a (Gly-X-Y)(n) repeating pattern and a high content of imino acids. The increasing family of collagens and proteins with collagenous domains shows the collagen triple helix to be a basic motif adaptable to a range of proteins and functions. Its rodlike domain has the potential for various modes of self-association and the capacity to bind receptors, other proteins, GAGs, and nucleic acids. High-resolution crystal structures obtained for collagen model peptides confirm the supercoiled triple helix conformation, and provide new information on hydrogen bonding patterns, hydration, sidechain interactions, and ligand binding. For several peptides, the helix twist was found to be sequence dependent, and such variation in helix twist may serve as recognition features or to orient the triple helix for binding. Mutations in the collagen triple-helix domain lead to a variety of human disorders. The most common mutations are single-base substitutions that lead to the replacement of one Gly residue, breaking the Gly-X-Y repeating pattern. A single Gly substitution destabilizes the triple helix through a local disruption in hydrogen bonding and produces a discontinuity in the register of the helix. Molecular information about the collagen triple helix and the effect of mutations will lead to a better understanding of function and pathology.

  2. Algorithmic dimensionality reduction for molecular structure analysis.

    PubMed

    Brown, W Michael; Martin, Shawn; Pollock, Sara N; Coutsias, Evangelos A; Watson, Jean-Paul

    2008-08-14

    Dimensionality reduction approaches have been used to exploit the redundancy in a Cartesian coordinate representation of molecular motion by producing low-dimensional representations of molecular motion. This has been used to help visualize complex energy landscapes, to extend the time scales of simulation, and to improve the efficiency of optimization. Until recently, linear approaches for dimensionality reduction have been employed. Here, we investigate the efficacy of several automated algorithms for nonlinear dimensionality reduction for representation of trans, trans-1,2,4-trifluorocyclo-octane conformation--a molecule whose structure can be described on a 2-manifold in a Cartesian coordinate phase space. We describe an efficient approach for a deterministic enumeration of ring conformations. We demonstrate a drastic improvement in dimensionality reduction with the use of nonlinear methods. We discuss the use of dimensionality reduction algorithms for estimating intrinsic dimensionality and the relationship to the Whitney embedding theorem. Additionally, we investigate the influence of the choice of high-dimensional encoding on the reduction. We show for the case studied that, in terms of reconstruction error root mean square deviation, Cartesian coordinate representations and encodings based on interatom distances provide better performance than encodings based on a dihedral angle representation.

  3. Structure and Dynamics of Cellulose Molecular Solutions

    NASA Astrophysics Data System (ADS)

    Wang, Howard; Zhang, Xin; Tyagi, Madhusudan; Mao, Yimin; Briber, Robert

    Molecular dissolution of microcrystalline cellulose has been achieved through mixing with ionic liquid 1-Ethyl-3-methylimidazolium acetate (EMIMAc), and organic solvent dimethylformamide (DMF). The mechanism of cellulose dissolution in tertiary mixtures has been investigated by combining quasielastic and small angle neutron scattering (QENS and SANS). As SANS data show that cellulose chains take Gaussian-like conformations in homogenous solutions, which exhibit characteristics of having an upper critical solution temperature, the dynamic signals predominantly from EMIMAc molecules indicate strong association with cellulose in the dissolution state. The mean square displacement quantities support the observation of the stoichiometric 3:1 EMIMAc to cellulose unit molar ratio, which is a necessary criterion for the molecular dissolution of cellulose. Analyses of dynamics structure factors reveal the temperature dependence of a slow and a fast process for EMIMAc's bound to cellulose and in DMF, respectively, as well as a very fast process due possibly to the rotational motion of methyl groups, which persisted to near the absolute zero.

  4. Modeling Small Stellar Populations Using Starburst99

    NASA Astrophysics Data System (ADS)

    Vázquez, Gerardo A.; Leitherer, Claus

    2017-03-01

    In this work, we have developed a new approach to form stars from clusters first, where massive stars are formed from fractions of mass of small stellar clusters. This new approximation is based on the empirical power law found in recent years and the maximum stellar mass that can be formed in a cluster. To produce the new models we have used the most recent version of Starburst99 that incorporates the most recent stellar evolution models with rotation. At the verge of solving nearby stellar populations and observing small stellar populations across the universe, this new approach brings a new scope on trying to disentangle the nature of hyper and supermassive stars in small stellar populations. Models for NGC 3603 and NGC 604 are presented. Our most important result is a strong ionizing power from small clusters by forming enough supermassive stars in a cluster of ~ 104 M⊙.

  5. The Circumnuclear Starburst Ring in NGC 1097

    NASA Astrophysics Data System (ADS)

    Thackeray-Lacko, Beverly; Stierwalt, Sabrina; Sheth, Kartik

    2016-01-01

    The circumnuclear ring in galaxy NGC 1097 is bursting with star formation at a rate of five solar masses per year as previously measured through Hα emission. The rate of star formation drops by a factor of one thousand outside the circumnuclear ring. We characterize the behavior of the dust in this region by measuring the spectral energy distribution focused exclusively on the circumnuclear ring using a selective variety of high resolution science images spanning wavelengths from ultraviolet to infrared, and adding proprietary high resolution radio data from Atacoma Large Millimeter Array (ALMA) in Chile. High resolution radio data obtained from ALMA allows us to constrain the shape of the spectral energy distribution curve specifically at longer wavelengths, and therefore the rate of star formation within the circumnuclear ring. Comparing the spectral energy distribution of the entire galaxy with that of the circumnuclear ring indicates how starburst activity influences the galactic spectral energy distribution.

  6. Models of ring galaxies. II - Extended starbursts

    NASA Technical Reports Server (NTRS)

    Struck-Marcell, Curtis; Appleton, P. N.

    1987-01-01

    Numerical models of the development of star-formation bursts in collisional ring galaxies are presented. To extend the work of Appleton and Struck-Marcell (1987) target disks which have relatively high mean cloud mass and gas density are emphasized. In such cases, even relatively low mass intruder galaxies are capable of triggering intense star-formation bursts in the density waves. Although the bursts are very short-lived in any individual gas element, pressure effects stimulate neighboring gas elements to burst, which can result in a sustained enhancement in the net star-formation rate. The results are capable of explaining the high far-infrared fluxes observed in righ galaxies and provide clues to the development of starburst activity in other colliding galaxies.

  7. Bright Submillimeter Galaxies: Evidence for Maximal Starbursts

    NASA Astrophysics Data System (ADS)

    Aretxaga, I.

    2014-09-01

    AzTEC is a sensitive bolometer camera that, coupled with 10 - 15m-class sub-mm telescopes, has mapped more than 3 sq. deg of the extragalactic sky to depths between 0.7 and 1.1 mJy at 1.1mm, prior to its current installation and operation on the 32m Large Millimeter Telescope (LMT). These extragalactic surveys targeted towards blank-fields and biased high-z environments alike have allowed us to identify a few thousands of submillimeter galaxies, powerful obscured starbursts at high-redshifts (z > 1), some of which have intrinsic Star Formation Rates SFR > 1000 Msun/yr and furthermore are extremely compact (~ 1 kpc). Our results imply that these extraordinary systems are forming stars in a gravitationally bound regime in which gravity prohibits the formation of superwinds, leading to matter accumulation within the galaxy and further generations of star formation.

  8. FISICA observations of the starburst galaxy, NGC 1569

    NASA Astrophysics Data System (ADS)

    Clark, D. M.; Eikenberry, S. S.; Raines, S. N.; Gruel, N.; Elston, R.; Guzman, R.; Julian, J.; Boreman, G.; Glenn, P. E.; Hull-Allen, C. G.; Hoffman, J.; Rodgers, M.; Thompson, K.; Flint, S.; Comstock, L.; Myrick, B.

    2006-06-01

    Using the Florida Image Slicer for Infrared Cosmology and Astrophysics (FISICA) we obtained observations of the dwarf starburst galaxy NGC 1569. We present our JH band spectra, particularly noting the existence of extended emission in Paschen β and He I.

  9. Speculations on the molecular structure of eumelanin.

    PubMed

    Swift, J A

    2009-04-01

    Eumelanin is the polymeric black pigment commonly found in hair and skin. Its chemical intractability, to all but vigorous oxidizing agents, has hindered satisfactory understanding of its molecular structure. It is well-established that the immediate precursor to polymerization, indole-5,6-quinone (IQ), is biosynthesized from the amino acid tyrosine. Current views are that the polymer consists of single bond connections between random indole and degraded indole units. In this paper, an alternative chemical scheme for the polymerization of IQ is proposed based upon the original suggestion by Horner in 1949 that a Diels-Alder (D-A) reaction might be involved. The proposed basic chemical scheme for eumelanin formation is that D-A addition occurs specifically between the 2- and 3-positions of one IQ molecule and the 7- and 4- positions respectively of a second IQ molecule, that the ensuing diketo bridge is oxidized to carboxyl groups and that, by decarboxylation and aromatization, a fused indole dimer is produced. It is envisaged that, by further D-A addition of more IQ molecules, oligomers of greater molecular mass are produced. Calculations based on published bond lengths and angles for the indole nucleus show that oligomeric units containing a total of up to 11 fused indoles could be packed into a flat circular disc of 20 A diameter. The discs of the extensively conjugated polymer are envisaged to be stacked above each other by pi-pi interaction and with a spacing of 3.4 A to produce cylindrical units, the mass density of which is calculated to be 1.54 gm cm(-3); approximating with actual physical measurements. The size and shape of the predicted cylinders are in concordance with those observed in atomic force microscope investigations of eumelanin proto-particles. The model is also in agreement with published experimental data that 2/3rds of the carbon dioxide liberated during eumelanin formation derives from positions 5- and 6- of the IQ molecule.

  10. The Ubiquity of Coeval Starbursts in Massive Galaxy Cluster Progenitors

    NASA Astrophysics Data System (ADS)

    Casey, Caitlin M.

    2016-06-01

    The universe’s largest galaxy clusters likely built the majority of their massive >1011 M {}⊙ galaxies in simultaneous, short-lived bursts of activity well before virialization. This conclusion is reached based on emerging data sets for z\\gt 2 proto-clusters and the characteristics of their member galaxies, in particular, rare starbursts and ultraluminous active galactic nuclei (AGN). The most challenging observational hurdle in identifying such structures is their very large volumes, ˜104 comoving Mpc3 at z\\gt 2, subtending areas of approximately half a degree on the sky. Thus, the contrast afforded by an overabundance of very rare galaxies in comparison to the background can more easily distinguish overdense structures from the surrounding, normal density field. Five 2≲ z≲ 3 proto-clusters from the literature are discussed in detail and are found to contain up to 12 dusty starbursts or luminous AGN galaxies each, a phenomenon that is unlikely to occur by chance even in overdense environments. These are contrasted with three higher-redshift (4≲ z≲ 5.5) dusty star-forming galaxy (DSFG) groups, whose evolutionary fate is less clear. Measurements of DSFGs’ gas depletion times suggest that they are indeed short-lived on ˜100 Myr timescales, and accordingly the probability of finding a structure containing more than 8 such systems is ˜0.2%, unless their “triggering” is correlated on very large spatial scales, ˜10 Mpc across. The volume density of DSFG-rich proto-clusters is found to be comparable to all of the >1015 M {}⊙ galaxy clusters in the nearby universe, which is a factor of five larger than expected in some simulations. Some tension still exists between measurements of the volume density of DSFG-rich proto-clusters and the expectation that they are generated via short-lived episodes, as the latter suggests that only a fraction (\\lt \\tfrac{1}{2}) of all proto-clusters should be rich with DSFGs. However, improved observations of proto

  11. STARBURST-DRIVEN GALACTIC WINDS: FILAMENT FORMATION AND EMISSION PROCESSES

    SciTech Connect

    Cooper, Jackie L.; Bicknell, Geoffrey V.; Sutherland, Ralph S.; Bland-Hawthorn, Joss

    2009-09-20

    We have performed a series of three-dimensional simulations of the interaction of a supersonic wind with a nonspherical radiative cloud. These simulations are motivated by our recent three-dimensional model of a starburst-driven galactic wind interacting with an inhomogeneous disk, which shows that an optically emitting filament can be formed by the breakup and acceleration of a cloud into a supersonic wind. In this study, we consider the evolution of a cloud with two different geometries (fractal and spherical) and investigate the importance of radiative cooling on the cloud's survival. We have also undertaken a comprehensive resolution study in order to ascertain the effect of the assumed numerical resolution on the results. We find that the ability of the cloud to radiate heat is crucial for its survival, with a radiative cloud experiencing a lower degree of acceleration and having a higher relative Mach number to the flow than in the adiabatic case. This diminishes the destructive effect of the Kelvin-Helmholtz instability on the cloud. While an adiabatic cloud is destroyed over a short period of time, a radiative cloud is broken up via the Kelvin-Helmholtz instability into numerous small, dense cloudlets, which are drawn into the flow to form a filamentary structure. The degree of fragmentation is highly dependent on the resolution of the simulation, with the number of cloudlets formed increasing as the Kelvin-Helmholtz instability is better resolved. Nevertheless, there is a clear qualitative trend, with the filamentary structure still persistent at high resolution. The geometry of the cloud affects the speed at which the cloud fragments; a wind more rapidly breaks up the cloud in regions of least density. A cloud with a more inhomogeneous density distribution fragments faster than a cloud with a more uniform structure (e.g., a sphere). We confirm the mechanism behind the formation of the Halpha emitting filaments found in our global simulations of a

  12. Do Tidal Interactions Trigger Starbursts in Dwarf Galaxies?

    NASA Astrophysics Data System (ADS)

    Martinkus, Charlotte; Cannon, John M.; McQuinn, Kristen B.; Johnson, Megan C.; Skillman, Evan D.; Bailin, Jeremy; Ford, Alyson; Koribalski, Baerbel

    2015-01-01

    Starburst dwarf galaxies are extensively studied systems, though the mechanism that triggers starbursts is poorly understood. Tidal interactions and gas accretion are thought to be potential starburst trigger mechanisms, although internal, secular drivers have not been ruled out. If starbursts are a result of external perturbations, then one would expect to see signatures of interaction in the gaseous disk of the galaxy. To examine this hypothesis, we analyze both archival and newly-obtained deep, wide-field HI maps from the Green Bank Telescope (GBT) of a sample of nineteen well-studied nearby starburst dwarf galaxies to search for such signs of interactions. Our sample is unique in that we have previously derived the star formation histories from Hubble Space Telescope imaging of the resolved stellar populations for all galaxies. In this work we focus on NGC 784 and NGC 672, which both may lie on a filament of dark matter isolated in space. We evaluate methods to determine the presence and properties of low surface-brightness neutral gas in the outer disk regions. This work serves as a prototype for forthcoming analysis of the full sample. With our results we hope to not only establish an effective data analysis procedure, but to also confirm or rule-out tidal interactions as a triggering mechanism of starbursts in this sample of dwarf galaxies.

  13. Molecular structures and intramolecular dynamics of pentahalides

    NASA Astrophysics Data System (ADS)

    Ischenko, A. A.

    2017-03-01

    This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.

  14. Filamentary structure in the Orion molecular cloud

    NASA Technical Reports Server (NTRS)

    Bally, J.; Langer, W. D.; Bally, J.; Langer, W. D.; Bally, J.; Langer, W. D.

    1986-01-01

    A large scale 13CO map (containing 33,000 spectra) of the giant molecular cloud located in the southern part of Orion is presented which contains the Orion Nebula, NGC1977, and the LI641 dark cloud complex. The overall structure of the cloud is filamentary, with individual features having a length up to 40 times their width. This morphology may result from the effects of star formation in the region or embedded magnetic fields in the cloud. We suggest a simple picture for the evolution of the Orion-A cloud and the formation of the major filament. A rotating proto-cloud (counter rotating with respect to the galaxy) contians a b-field aligned with the galaxtic plane. The northern protion of this cloud collapsed first, perhaps triggered by the pressure of the Ori I OB association. The magnetic field combined with the anisotropic pressure produced by the OB-association breaks the symmetry of the pancake instability, a filament rather than a disc is produced. The growth of instabilities in the filament formed sub-condensations which are recent sites of star formation.

  15. The Determination of Molecular Structure from Rotational Spectra

    DOE R&D Accomplishments Database

    Laurie, V. W.; Herschbach, D. R.

    1962-07-01

    An analysis is presented concerning the average molecular configuration variations and their effects on molecular structure determinations. It is noted that the isotopic dependence of the zero-point is often primarily governed by the isotopic variation of the average molecular configuration. (J.R.D.)

  16. The Green Bank Telescope Maps the Dense, Star-forming Gas in the Nearby Starburst Galaxy M82

    NASA Astrophysics Data System (ADS)

    Kepley, Amanda A.; Leroy, Adam K.; Frayer, David; Usero, Antonio; Marvil, Josh; Walter, Fabian

    2014-01-01

    Observations of the Milky Way and nearby galaxies show that dense molecular gas correlates with recent star formation, suggesting that the formation of this gas phase may help regulate star formation. A key test of this idea requires wide-area, high-resolution maps of dense molecular gas in galaxies to explore how local physical conditions drive dense gas formation, but these observations have been limited because of the faintness of dense gas tracers like HCN and HCO+. Here we demonstrate the power of the Robert C. Byrd Green Bank Telescope (GBT)—the largest single-dish millimeter radio telescope—for mapping dense gas in galaxies by presenting the most sensitive maps yet of HCN and HCO+ in the starburst galaxy M82. The HCN and HCO+ in the disk of this galaxy correlates with both recent star formation and more diffuse molecular gas and shows kinematics consistent with a rotating torus. The HCO+ emission extending to the north and south of the disk is coincident with the outflow previously identified in CO and traces the eastern edge of the hot outflowing gas. The central starburst region has a higher ratio of star formation to dense gas than the outer regions, pointing to the starburst as a key driver of this relationship. These results establish that the GBT can efficiently map the dense molecular gas at 90 GHz in nearby galaxies, a capability that will increase further with the 16 element feed array under construction.

  17. Molecular cloning of chicken aggrecan. Structural analyses.

    PubMed Central

    Chandrasekaran, L; Tanzer, M L

    1992-01-01

    The large, aggregating chondroitin sulphate proteoglycan of cartilage, aggrecan, has served as a generic model of proteoglycan structure. Molecular cloning of aggrecans has further defined their amino acid sequences and domain structures. In this study, we have obtained the complete coding sequence of chicken sternal cartilage aggrecan by a combination of cDNA and genomic DNA sequencing. The composite sequence is 6117 bp in length, encoding 1951 amino acids. Comparison of chicken aggrecan protein primary structure with rat, human and bovine aggrecans has disclosed both similarities and differences. The domains which are most highly conserved at 70-80% identity are the N-terminal domains G1 and G2 and the C-terminal domain G3. The chondroitin sulphate domain of chicken aggrecan is smaller than that of rat and human aggrecans and has very distinctive repeat sequences. It has two separate sections, one comprising 12 consecutive Ser-Gly-Glu repeats of 20 amino acids each, adjacent to the other which has 23 discontinuous Ser-Gly-Glu repeats of 10 amino acids each; this latter region, N-terminal to the former one, appears to be unique to chicken aggrecan. The two regions contain a total of 94 potential chondroitin sulphate attachment sites. Genomic comparison shows that, although chicken exons 11-14 are identical in size to the rat and human exons, chicken exon 10 is the smallest of the three species. This is also reflected in the size of its chondroitin sulphate coding region and in the total number of Ser-Gly pairs. The putative keratan sulphate domain shows 31-45% identity with the other species and lacks the repetitive sequences seen in the others. In summary, while the linear arrangement of specific domains of chicken aggrecan is identical to that in the aggrecans of other species, and while there is considerable identity of three separate domains, chicken aggrecan demonstrates unique features, notably in its chondroitin sulphate domain and its keratan sulphate

  18. Violent motions in starburst galaxies - The OH megamaser in IRAS 10039-3338

    NASA Astrophysics Data System (ADS)

    Kazes, I.; Proust, D.; Mirabel, L. F.; Combes, F.; Balkowski, C.; Martin, J. M.

    1990-10-01

    In a comparative study, optical and radio spectra are presented in order to further investigate violent turbulent motions in starburst galaxies. Emission-line, HI and OH profiles of IRAS 10039-3338 exhibit signs of a highly perturbed far-infrared galaxy. Remarkably narrow and distinct OH components are shown in the megamaser spectra. A molecular mass of 1010 Msun is deduced from CO observations. The presence of comparable numbers of blue and red-shifted OH-components is apparently not in favor of an outflow interpretation.

  19. Formation of the twin galactic starburst regions NGC 6357 and NGC 6334

    NASA Astrophysics Data System (ADS)

    Torii, Kazufumi; Hasegawa, Keisuke; Ohama, Akio; Yamamoto, Hiroaki; Tachihara, Kengo; Fukui, Yasuo

    2017-03-01

    New CO J=1-0 observations with NANTEN and NANTEN2 reveal that extensive collisions between two molecular clouds at relative velocity of 15 km s-1 triggered the O star formation in the Galactic mini-starbursts NGC 6357 and NGC 6334. Correlated/anti-correlated gas distributions and intermediate velocity features between the two clouds lend support for the cloud-cloud collision scenario. The timescale of the collision and high-mass star formation is as short as less than 0.5 Myrs, suggesting rapid O star formation.

  20. An excess of dusty starbursts related to the Spiderweb galaxy

    NASA Astrophysics Data System (ADS)

    Dannerbauer, H.; Kurk, J. D.; De Breuck, C.; Wylezalek, D.; Santos, J. S.; Koyama, Y.; Seymour, N.; Tanaka, M.; Hatch, N.; Altieri, B.; Coia, D.; Galametz, A.; Kodama, T.; Miley, G.; Röttgering, H.; Sanchez-Portal, M.; Valtchanov, I.; Venemans, B.; Ziegler, B.

    2014-10-01

    We present APEX LABOCA 870 μm observations of the field around the high-redshift radio galaxy MRC1138-262 at z = 2.16. We detect 16 submillimeter galaxies (SMGs) in this ~140 arcmin2 bolometer map with flux densities in the range 3-11 mJy. The raw number counts indicate a density of SMGs that is up to four times that of blank field surveys. Based on an exquisite multiwavelength database, including VLA 1.4 GHz radio and infrared observations, we investigate whether these sources are members of the protocluster structure at z ≈ 2.2. Using Herschel PACS and SPIRE and Spitzer MIPS photometry, we derive reliable far-infrared (FIR) photometric redshifts for all sources. Follow-up VLT ISAAC and SINFONI NIR spectra confirm that four of these SMGs have redshifts of z ≈ 2.2. We also present evidence that another SMG in this field, detected earlier at 850 μm, has a counterpart that exhibits Hα and CO(1-0) emission at z = 2.15. Including the radio galaxy and two SMGs with FIR photometric redshifts at z = 2.2, we conclude that at least eight submm sources are part of the protocluster at z = 2.16 associated with the radio galaxy MRC1138-262. We measure a star formation rate density SFRD ~1500 M⊙ yr-1 Mpc-3, four magnitudes higher than the global SFRD of blank fields at this redshift. Strikingly, these eight sources are concentrated within a region of 2 Mpc (the typical size of clusters in the local universe) and are distributed within the filaments traced by the HAEs at z ≈ 2.2. This concentration of massive, dusty starbursts is not centered on the submillimeter-bright radio galaxy which could support the infalling of these sources into the cluster center. Approximately half (6/11) of the SMGs that are covered by the Hα imaging data are associated with HAEs, demonstrating the potential of tracing SMG counterparts with this population. To summarize, our results demonstrate that submillimeter observations may enable us to study (proto)clusters of massive, dusty

  1. Structure and dynamics of layered molecular assemblies

    NASA Astrophysics Data System (ADS)

    Horne, Jennifer Conrad

    This dissertation focuses on the goal of understanding and controlling layered material properties from a molecular perspective. With this understanding, materials can be synthetically tailored to exhibit predetermined bulk properties. This investigation describes the optical response of a family of metal-phosphonate (MP) monolayers and multilayers, materials that are potentially useful because the films are easy to synthesize and are chemically and thermally stable. MP films have shown potential in a variety of chemical sensing and optical applications, and in this dissertation, the suitability of MP films for optical information storage is explored For this application, the extent of photonic energy transport within and between optically active layers is an important factor in determining the stability and specificity of optical modifications made to a material. Intralayer and interlayer energy transport processes can be studied selectively in MP films because the composition, and thus the properties, of each layer are controlled synthetically. It was determined by fluorescence relaxation dynamics in conjunction with atomic force microscopy (AFM) that the substrate and layer morphologies are key factors in determining the layer optical and physical properties. The initial MP layers in a multilayer are structurally heterogeneous, characterized by randomly distributed islands that are ~50 A in diameter. The population dynamics measured for these layers are non-exponential, chromophore concentration-independent, and identical for two different chromophores. The data is explained in the context of an excitation hopping model in a system where the surface is characterized by islands of aggregated chromophores as well as non-aggregated monomers. Within a MP monolayer, the dynamics are dominated by intra-island excitation hopping. Forster (dipolar) energy transfer between the energetically overlapped chromophores does not play a significant role in determining the

  2. Molecular clouds and galactic spiral structure

    NASA Technical Reports Server (NTRS)

    Dame, T. M.

    1984-01-01

    Galactic CO line emission at 115 GHz was surveyed in order to study the distribution of molecular clouds in the inner galaxy. Comparison of this survey with similar H1 data reveals a detailed correlation with the most intense 21 cm features. To each of the classical 21 cm H1 spiral arms of the inner galaxy there corresponds a CO molecular arm which is generally more clearly defined and of higher contrast. A simple model is devised for the galactic distribution of molecular clouds. The modeling results suggest that molecular clouds are essentially transient objects, existing for 15 to 40 million years after their formation in a spiral arm, and are largely confined to spiral features about 300 pc wide.

  3. Similarity Measure for Molecular Structure: A Brief Review

    NASA Astrophysics Data System (ADS)

    Bero, S. A.; Muda, A. K.; Choo, Y. H.; Muda, N. A.; Pratama, S. F.

    2017-09-01

    Similarity or distance measures have been used widely to calculate the similarity or dissimilarity between two samples of dataset. Cheminformatics is known as the domain that dealing with chemical information and both similarity and distance coefficient have been an important role for matching, searching and classification of chemical information. There are various types of similarity/distance coefficient used in molecular structure similarity searching. Generally, the calculation using similarity/distance coefficient is focusing more on 2-dimensional (2D) rather than 3-dimensional (3D) structure. In this paper, the popular similarity/distance coefficients for molecular structure will be reviewed together with the review on 3D molecular structure.

  4. Triggering of starbursts in galaxies by minor mergers

    NASA Technical Reports Server (NTRS)

    Mihos, J. Christopher; Hernquist, Lars

    1994-01-01

    Using numerical simulation, we explore the triggering of starburst activity in disk galaxies which accrete low-mass dwarf companions. In response to the tidal perturbation of an infalling satellite, a disk galaxy develops a strong two-armed spiral pattern, which in turn drives large quantities of disk gas into its central regions. The global star formation rate stays constant during the early stages of an accretion, before rising rapidly by an order of magnitude when the central gas density becomes very large. The associated central starburst is quite compact. Models which include a bulge component in the disk galaxy show that the presence of a bulge can suppress the radial gas flow and limit the strength of the associated starburst, depending on the overall mass profile. The fact that such relatively common 'minor' mergers may trigger strong starburst activity suggests that many disk galaxies may have experienced starbursts at some point in their lifetime. Implications for galaxy evolution and formation are discussed.

  5. Lewis Structures Are Models for Predicting Molecular Structure, Not Electronic Structure

    NASA Astrophysics Data System (ADS)

    Purser, Gordon H.

    1999-07-01

    This article argues against a close relationship between Lewis dot structures and electron structure obtained from quantum mechanical calculations. Lewis structures are a powerful tool for structure prediction, though they are classical models of bonding and do not predict electronic structure. The "best" Lewis structures are those that, when combined with the VSEPR model, allow the accurate prediction of molecular properties, such as polarity, bond length, bond angle, and bond strength. These structures are achieved by minimizing formal charges within the molecule, even if it requires an expanded octet on atoms beyond the second period. Lewis structures that show an expanded octet do not imply full d-orbital involvement in the bonding. They suggest that the presence of low-lying d-orbitals is important in producing observed molecular structures. Based on this work, the presence of electron density, not a large separation in charge, is responsible for the short bond lengths and large angles in species containing nonmetal atoms from beyond the second period. This result contradicts results obtained from natural population analysis, a method that attempts to derive Lewis structures from molecular orbital calculations.

  6. A Survey of Quantitative Descriptions of Molecular Structure

    PubMed Central

    Guha, Rajarshi; Willighagen, Egon

    2013-01-01

    Numerical characterization of molecular structure is a first step in many computational analysis of chemical structure data. These numerical representations, termed descriptors, come in many forms, ranging from simple atom counts and invariants of the molecular graph to distribution of properties, such as charge, across a molecular surface. In this article we first present a broad categorization of descriptors and then describe applications and toolkits that can be employed to evaluate them. We highlight a number of issues surrounding molecular descriptor calculations such as versioning and reproducibility and describe how some toolkits have attempted to address these problems. PMID:23110530

  7. A survey of quantitative descriptions of molecular structure.

    PubMed

    Guha, Rajarshi; Willighagen, Egon

    2012-01-01

    Numerical characterization of molecular structure is a first step in many computational analysis of chemical structure data. These numerical representations, termed descriptors, come in many forms, ranging from simple atom counts and invariants of the molecular graph to distribution of properties, such as charge, across a molecular surface. In this article we first present a broad categorization of descriptors and then describe applications and toolkits that can be employed to evaluate them. We highlight a number of issues surrounding molecular descriptor calculations such as versioning and reproducibility and describe how some toolkits have attempted to address these problems.

  8. Circumnuclear ionized gas in starburst nuclei

    NASA Technical Reports Server (NTRS)

    Taniguchi, Yoshiaki

    1990-01-01

    In order to study kinematical properties of starburst nuclei (SBNs), researchers made high-resolution spectroscopy of fifteen SBNs in the H alpha region using an intensified Reticon system attached to the coude focus of the 188-cm reflector at the Okayama Astrophysical Observatory. The instrumental resolution is 21 km s(-1) Full Width Half Maximum (FWHM) at lambda sub H alpha. As for the archetypical SBN, Mrk 538 (=NGC 7714), researchers present high-resolution emission line profiles of several species of ions such as (OIII), (NII), (SII), and (OII). Main results and conclusions are summarized. It has been known that emission-line profiles of SBNs are symmetrical and narrow. However, this high-resolution spectroscopy shows that the observed emission-line profiles of the SBNs have the following asymmetrical patterns; blueward, redward, and double-peaked. It is known that such features have been observed for narrow line regions (NLRs) of active galactic nuclei (AGNs). There is no remarkable correlation between the asymmetry index and the reddening indicator such as a Balmer decrement. Thus the line asymmetry is not attributed to inhomogeneous obscuration in the emitting regions. The observed FWHMs of the H alpha emission lines cover a range from 85 km s(-1) to 318 km s(-1) and are slightly larger than those of (NII) lambda 6584A emission except for the double-peaked SBNs. The FWHMs of H alpha emission show a good correlation with sin i (i is an inclination angle of galaxy). This correlation means that the FWHMs of the SBNs suffer significantly from rotational broadening. Mrk 52 is an anomalous SBN because it has narrow emission line widths for its high inclination angle (cf. Taniguchi 1987). From the above correlation, it is estimated that the intrinsic (i.e., rotation free) FWHMs of H alpha emission are about 50 km s(-1).

  9. Circumnuclear ionized gas in starburst nuclei

    NASA Astrophysics Data System (ADS)

    Taniguchi, Yoshiaki

    1990-07-01

    In order to study kinematical properties of starburst nuclei (SBNs), researchers made high-resolution spectroscopy of fifteen SBNs in the H alpha region using an intensified Reticon system attached to the coude focus of the 188-cm reflector at the Okayama Astrophysical Observatory. The instrumental resolution is 21 km s(-1) Full Width Half Maximum (FWHM) at lambdaH alpha. As for the archetypical SBN, Mrk 538 (=NGC 7714), researchers present high-resolution emission line profiles of several species of ions such as (OIII), (NII), (SII), and (OII). Main results and conclusions are summarized. It has been known that emission-line profiles of SBNs are symmetrical and narrow. However, this high-resolution spectroscopy shows that the observed emission-line profiles of the SBNs have the following asymmetrical patterns; blueward, redward, and double-peaked. It is known that such features have been observed for narrow line regions (NLRs) of active galactic nuclei (AGNs). There is no remarkable correlation between the asymmetry index and the reddening indicator such as a Balmer decrement. Thus the line asymmetry is not attributed to inhomogeneous obscuration in the emitting regions. The observed FWHMs of the H alpha emission lines cover a range from 85 km s(-1) to 318 km s(-1) and are slightly larger than those of (NII) lambda 6584A emission except for the double-peaked SBNs. The FWHMs of H alpha emission show a good correlation with sin i (i is an inclination angle of galaxy). This correlation means that the FWHMs of the SBNs suffer significantly from rotational broadening. Mrk 52 is an anomalous SBN because it has narrow emission line widths for its high inclination angle (cf. Taniguchi 1987). From the above correlation, it is estimated that the intrinsic (i.e., rotation free) FWHMs of H alpha emission are about 50 km s(-1).

  10. Detection of gamma rays from a starburst galaxy.

    PubMed

    Acero, F; Aharonian, F; Akhperjanian, A G; Anton, G; Barres de Almeida, U; Bazer-Bachi, A R; Becherini, Y; Behera, B; Bernlöhr, K; Bochow, A; Boisson, C; Bolmont, J; Borrel, V; Brucker, J; Brun, F; Brun, P; Bühler, R; Bulik, T; Büsching, I; Boutelier, T; Chadwick, P M; Charbonnier, A; Chaves, R C G; Cheesebrough, A; Chounet, L-M; Clapson, A C; Coignet, G; Dalton, M; Daniel, M K; Davids, I D; Degrange, B; Deil, C; Dickinson, H J; Djannati-Ataï, A; Domainko, W; Drury, L O'C; Dubois, F; Dubus, G; Dyks, J; Dyrda, M; Egberts, K; Emmanoulopoulos, D; Espigat, P; Farnier, C; Fegan, S; Feinstein, F; Fiasson, A; Förster, A; Fontaine, G; Füssling, M; Gabici, S; Gallant, Y A; Gérard, L; Gerbig, D; Giebels, B; Glicenstein, J F; Glück, B; Goret, P; Göring, D; Hauser, D; Hauser, M; Heinz, S; Heinzelmann, G; Henri, G; Hermann, G; Hinton, J A; Hoffmann, A; Hofmann, W; Hofverberg, P; Hoppe, S; Horns, D; Jacholkowska, A; de Jager, O C; Jahn, C; Jung, I; Katarzyński, K; Katz, U; Kaufmann, S; Kerschhaggl, M; Khangulyan, D; Khélifi, B; Keogh, D; Klochkov, D; Kluźniak, W; Kneiske, T; Komin, Nu; Kosack, K; Kossakowski, R; Lamanna, G; Lenain, J-P; Lohse, T; Marandon, V; Martineau-Huynh, O; Marcowith, A; Masbou, J; Maurin, D; McComb, T J L; Medina, M C; Méhault, J; Moderski, R; Moulin, E; Naumann-Godo, M; de Naurois, M; Nedbal, D; Nekrassov, D; Nicholas, B; Niemiec, J; Nolan, S J; Ohm, S; Olive, J-F; de Oña Wilhelmi, E; Orford, K J; Ostrowski, M; Panter, M; Paz Arribas, M; Pedaletti, G; Pelletier, G; Petrucci, P-O; Pita, S; Pühlhofer, G; Punch, M; Quirrenbach, A; Raubenheimer, B C; Raue, M; Rayner, S M; Reimer, O; Renaud, M; Rieger, F; Ripken, J; Rob, L; Rosier-Lees, S; Rowell, G; Rudak, B; Rulten, C B; Ruppel, J; Sahakian, V; Santangelo, A; Schlickeiser, R; Schöck, F M; Schwanke, U; Schwarzburg, S; Schwemmer, S; Shalchi, A; Sikora, M; Skilton, J L; Sol, H; Stawarz, Ł; Steenkamp, R; Stegmann, C; Stinzing, F; Superina, G; Szostek, A; Tam, P H; Tavernet, J-P; Terrier, R; Tibolla, O; Tluczykont, M; van Eldik, C; Vasileiadis, G; Venter, C; Venter, L; Vialle, J P; Vincent, P; Vivier, M; Völk, H J; Volpe, F; Wagner, S J; Ward, M; Zdziarski, A A; Zech, A

    2009-11-20

    Starburst galaxies exhibit in their central regions a highly increased rate of supernovae, the remnants of which are thought to accelerate energetic cosmic rays up to energies of approximately 10(15) electron volts. We report the detection of gamma rays--tracers of such cosmic rays--from the starburst galaxy NGC 253 using the High Energy Stereoscopic System (H.E.S.S.) array of imaging atmospheric Cherenkov telescopes. The gamma-ray flux above 220 billion electron volts is F = (5.5 +/- 1.0(stat) +/- 2.8(sys)) x 10(-13) cm(-2) s(-1), implying a cosmic-ray density about three orders of magnitude larger than that in the center of the Milky Way. The fraction of cosmic-ray energy channeled into gamma rays in this starburst environment is five times as large as that in our Galaxy.

  11. Cyanoacetylene in IC 342: An Evolving Dense Gas Component with Starburst Age

    NASA Astrophysics Data System (ADS)

    Meier, David S.; Turner, Jean L.; Schinnerer, Eva

    2011-07-01

    We present the first images of the J = 5-4 and J = 16-15 lines of the dense gas tracer, cyanoacetylene, HC3N, in an external galaxy. The central 200 pc of the nearby star-forming spiral galaxy, IC 342, was mapped using the Very Large Array and the Plateau de Bure Interferometer. HC3N(5-4) line emission is found across the nuclear mini-spiral, but is very weak toward the starburst site, the location of the strongest mid-IR and radio emission. The J = 16-15 and 10-9 lines are also faint near the large H II region complex, but are brighter relative to the 5-4 line, consistent with higher excitation. The brightest HC3N emission is located in the northern arm of the nuclear mini-spiral, 100 pc away from the radio/IR source to the southwest of the nucleus. This location appears less affected by ultraviolet radiation and may represent a more embedded, earlier stage of star formation. HC3N excitation temperatures are consistent with those determined from C18O; the gas is dense 104 - 105 cm-3 and cool, Tk < 40 K. So as to not violate limits on the total H2 mass determined from C18O, at least two dense components are required to model IC 342's giant molecular clouds. These observations suggest that HC3N(5-4) is an excellent probe of the dense, quiescent gas in galaxies. The high excitation combined with faint emission toward the dense molecular gas at the starburst indicates that it currently lacks large masses of very dense gas. We propose a scenario where the starburst is being caught in the act of dispersing or destroying its dense gas in the presence of the large H II region. This explains the high star formation efficiency seen in the dense component. The little remaining dense gas appears to be in pressure equilibrium with the starburst H II region. Based on observations carried out with the IRAM Plateau de Bure Interferometer. IRAM is supported by INSU/CNRS (France), MPG (Germany), and IGN (Spain).

  12. Feedback from starbursts: 30 Dorado as a case study

    NASA Astrophysics Data System (ADS)

    Wang, Q. Daniel; lim, Seunghwan

    2016-01-01

    Stellar feedback remains a key uncertain aspect in galaxy formation and evolution theories. In addition to the mechanical energy injection from fast stellar winds and supernovae of massive stars, their radiative transfer feedback (via direct and indirect/dust-processed radiation pressures and photo-ionization) has also been proposed to play a significant role in dispersing dense dusty gas and possibly in driving outflows from starburst regions. To test the relative efficiency of these two forms of the stellar feedback, we study the energetics of the Tarantula Nebula (30 Doradus) in the Large Magellanic Cloud. The nebula consists of various blisters of diffuse hot plasma enveloped by cool gas. Based on the X-ray spectroscopy of the nebula, using a 100 ks Suzaku X-ray observation, we estimate the thermal energy of the enclosed plasma, accounting for its temperature distribution and foreground absorption variation. The estimated thermal energy is far short of the expected fraction of the mechanical energy input from the central young stellar association (NGC 2070) of the nebula, according to the classic superbubble solution, indicating a substantial loss of energy via probably hot electron-dust interaction and cosmic-ray acceleration, as well as the cool shell formation. We further characterize the kinetic energy of dense dusty gas, using a recently published dust mass map and the velocity dispersion inferred from molecular and HI gases in the nebula. However, this component of the kinetic energy appears to be dominated by the turbulent and bulk motions of HII gas. The total kinetic energy of the nebula is consistent with the expected fraction of the mechanical energy input. Therefore, the radiation transfer feedback does not seem to play a significant role in the expansion of 30 Doradus.

  13. Upper limits to the water abundance in starburst galaxies

    NASA Astrophysics Data System (ADS)

    Wilson, C. D.; Booth, R. S.; Olofsson, A. O. H.; Olberg, M.; Persson, C. M.; Sandqvist, Aa.; Hjalmarson, Â.; Buat, V.; Encrenaz, P. J.; Fich, M.; Frisk, U.; Gerin, M.; Rydback, G.; Wiklind, T.

    2007-07-01

    Aims:We have searched for emission from the 557 GHz ortho-water line in the interstellar medium of six nearby starburst galaxies. Methods: We used the Odin satellite to observe the 110{-}101 transition of o-H2O in the galaxies NGC 253, IC 342, M 82, NGC 4258, CenA, and M 51. None of the galaxies in our sample was detected. Results: We derive three sigma upper limits to the H2O abundance relative to H2 ranging from 2×10-9 to 1×10-8. The best of these upper limits are comparable to the measured abundance of H2O in the Galactic star forming region W3. However, if only 10% of the molecular gas is in very dense cores, then the water abundance limits in the cores themselves would be larger by a factor of 10 i.e. 2×10-8 to 1×10-7. Conclusions: These observations suggest that detections of H2O emission in galaxies with the upcoming Herschel Space Observatory are likely to require on-source integration times of an hour or more except in the very brightest extragalactic targets such as M 82 and NGC 253. Based on observations with Odin, a Swedish-led satellite project funded jointly by the Swedish National Space Board (SNSB), the Canadian Space Agency (CSA), the National Technology Agency of Finland (Tekes) and Centre National d'Etude Spatiale (CNES). The Swedish Space Corporation has been the industrial prime contractor and also is operating the satellite.

  14. Star formation in the starburst cluster in NGC 3603

    NASA Astrophysics Data System (ADS)

    Correnti, Matteo; Paresce, Francesco; Aversa, Rossella; Beccari, Giacomo; De Marchi, Guido; Di Criscienzo, Marcella; Pang, Xiaoying; Spezzi, Loredana; Valenti, Elena; Ventura, Paolo

    2012-08-01

    We have used new, deep, visible and near infrared observations of the compact starburst cluster in the giant HII region NGC 3603 and its surroundings with the WFC3 on HST and HAWK-I on the VLT to study in detail the physical properties of its intermediate mass (˜1-3 M⊙) stellar population. We show that after correction for differential extinction and actively accreting stars, and the study of field star contamination, strong evidence remains for a continuous spread in the ages of pre-main sequence stars in the range ˜2 to ˜30 Myr within the temporal resolution available. Existing differences among presently available theoretical models account for the largest possible variation in shape of the measured age histograms within these limits. We also find that this isochronal age spread in the near infrared and visible Colour-Magnitude Diagrams cannot be reproduced by any other presently known source of astrophysical or instrumental scatter that could mimic the luminosity spread seen in our observations except, possibly, episodic accretion. The measured age spread and the stellar spatial distribution in the cluster are consistent with the hypothesis that star formation started at least 20-30 Myrs ago progressing slowly but continuously up to at least a few million years ago. All the stars in the considered mass range are distributed in a flattened oblate spheroidal pattern with the major axis oriented in an approximate South-East-North-West direction, and with the length of the equatorial axis decreasing with increasing age. This asymmetry is most likely due to the fact that star formation occurred along a filament of gas and dust in the natal molecular cloud oriented locally in this direction.

  15. Induced starburst and nuclear activity: Faith, facts, and theory

    NASA Technical Reports Server (NTRS)

    Shlosman, Isaac

    1990-01-01

    The problem of the origin of starburst and nuclear (nonstellar) activity in galaxies is reviewed. A physical understanding of the mechanism(s) that induce both types of activity requires one to address the following issues: (1) what is the source of fuel that powers starbursts and active galactic nuclei; and (2) how is it channeled towards the central regions of host galaxies? As a possible clue, the author examines the role of non-axisymmetric perturbations of galactic disks and analyzes their potential triggers. Global gravitational instabilities in the gas on scales approx. 100 pc appear to be crucial for fueling the active galactic nuclei.

  16. Class I methanol megamasers: a potential probe of starburst activity and feedback in active galaxies

    NASA Astrophysics Data System (ADS)

    Chen, X.; Ellingsen, S. P.; Zhang, J.-S.; Wang, J.-Z.; Shen, Z.-Q.; Wu, Q.-W.; Wu, Z.-Z.

    2016-06-01

    Previous observations have shown that the distribution of 36.2-GHz class I methanol megamaser (MM) emission in Arp 220 is highly correlated with the diffuse X-rays. On this basis it was suggested that methanol MM may be produced either by the effects of galactic-outflow-driven shocks and/or cosmic rays. Here we report the results of a single-dish survey undertaken with the Greenbank Telescope (GBT) to improve our understanding of the pumping conditions of extragalactic class I methanol masers and their relationship to starburst and feedback processes within the host galaxies, towards a sample which includes 16 galaxies which show both extended soft X-ray emission, and either OH or H2O MM emission. Large baseline ripples in the GBT spectra limited our results to tentative detections towards 11 of the target galaxies. Analysis of these tentative detections shows that there are significant correlations between the methanol intensity and the host-galaxy infrared, radio and OH MM emission, but no correlation with the X-ray and H2O MM emission. Some sources show methanol emission significantly offset from the systemic velocity of the galaxy (by up to 1000 km s-1) and we propose that these are associated with galactic-scale outflows from active galactic nuclei (AGNs) feedback. The combined observational properties suggest that class I methanol MMs are related to significant starburst and molecular outflow activity and hence may provide a potential probe of AGN feedback and starburst processes in the host galaxies.

  17. Structures of High Density Molecular Fluids

    SciTech Connect

    Baer, B; Cynn, H; Iota, V; Yoo, C-S

    2002-02-01

    The goal of this proposal is to develop an in-situ probe for high density molecular fluids. We will, therefore, use Coherent Anti-Stokes Raman Spectroscopy (CARS) applied to laser heated samples in a diamond-anvil cell (DAC) to investigate molecular fluids at simultaneous conditions of high temperatures (T > 2000K) and high pressures (P > 10 GPa.) Temperatures sufficient to populate vibrational levels above the ground state will allow the vibrational potential to be mapped by CARS. A system capable of heating and probing these samples will be constructed. Furthermore, the techniques that enable a sample to be sufficiently heated and probed while held at static high pressure in a diamond-anvil-cell will be developed. This will be an in-situ investigation of simple molecules under conditions relevant to the study of detonation chemistry and the Jovain planet interiors using state of the art non-linear spectroscopy, diamond-anvil-cells, and laser heating technology.

  18. Colour Chemistry, Part I, Principles, Colour, and Molecular Structure

    ERIC Educational Resources Information Center

    Hallas, G.

    1975-01-01

    Discusses various topics in color chemistry, including the electromagnetic spectrum, the absorption and reflection of light, additive and subtractive color mixing, and the molecular structure of simple colored substances. (MLH)

  19. Colour Chemistry, Part I, Principles, Colour, and Molecular Structure

    ERIC Educational Resources Information Center

    Hallas, G.

    1975-01-01

    Discusses various topics in color chemistry, including the electromagnetic spectrum, the absorption and reflection of light, additive and subtractive color mixing, and the molecular structure of simple colored substances. (MLH)

  20. Sculpting Molecular Potentials to Design Optimized Materials: The Inverse Design of New Molecular Structures

    DTIC Science & Technology

    2010-05-10

    REPORT Final Report on " Sculpting Molecular Potentials to Design Optimized Materials: The Inverse Design of New Molecular Structures" (Agreement...Beratan, Weitao Yang, Michael J. Therien, Koen Clays Duke University Office of Research Support Duke University Durham, NC 27705 - REPORT...Prescribed by ANSI Std. Z39.18 - 31-Jul-2009 Final Report on " Sculpting Molecular Potentials to Design Optimized Materials: The Inverse Design of New

  1. Clumpy and Extended Starbursts in the Brightest Unlensed Submillimeter Galaxies

    NASA Astrophysics Data System (ADS)

    Iono, Daisuke; Yun, Min S.; Aretxaga, Itziar; Hatsukade, Bunyo; Hughes, David; Ikarashi, Soh; Izumi, Takuma; Kawabe, Ryohei; Kohno, Kotaro; Lee, Minju; Matsuda, Yuichi; Nakanishi, Kouichiro; Saito, Toshiki; Tamura, Yoichi; Ueda, Junko; Umehata, Hideki; Wilson, Grant; Michiyama, Tomonari; Ando, Misaki

    2016-09-01

    The central structure in three of the brightest unlensed z = 3-4 submillimeter galaxies is investigated through 0.″015-0.″05 (120-360 pc) 860 μm continuum images obtained using the Atacama Large Millimeter/submillimeter Array (ALMA). The distribution in the central kiloparsec in AzTEC1 and AzTEC8 is extremely complex, and they are composed of multiple ˜200 pc clumps. AzTEC4 consists of two sources that are separated by ˜1.5 kpc, indicating a mid-stage merger. The peak star formation rate densities in the central clumps are ˜300-3000 M ⊙ yr-1 kpc-2, suggesting regions with extreme star formation near the Eddington limit. By comparing the flux obtained by ALMA and Submillimeter Array, we find that 68%-90% of the emission is extended (≳1 kpc) in AzTEC4 and 8. For AzTEC1, we identify at least 11 additional compact (˜200 pc) clumps in the extended 3-4 kpc region. Overall, the data presented here suggest that the luminosity surface densities observed at ≲150 pc scales are roughly similar to that observed in local ULIRGs, as in the eastern nucleus of Arp 220. Between 10% and 30% of the 860 μm continuum is concentrated in clumpy structures in the central kiloparsec, while the remaining flux is distributed over ≳1 kpc regions, some of which could also be clumpy. These sources can be explained by a rapid inflow of gas such as a merger of gas-rich galaxies, surrounded by extended and clumpy starbursts. However, the cold mode accretion model is not ruled out.

  2. Adaptive modelling of structured molecular representations for toxicity prediction

    NASA Astrophysics Data System (ADS)

    Bertinetto, Carlo; Duce, Celia; Micheli, Alessio; Solaro, Roberto; Tiné, Maria Rosaria

    2012-12-01

    We investigated the possibility of modelling structure-toxicity relationships by direct treatment of the molecular structure (without using descriptors) through an adaptive model able to retain the appropriate structural information. With respect to traditional descriptor-based approaches, this provides a more general and flexible way to tackle prediction problems that is particularly suitable when little or no background knowledge is available. Our method employs a tree-structured molecular representation, which is processed by a recursive neural network (RNN). To explore the realization of RNN modelling in toxicological problems, we employed a data set containing growth impairment concentrations (IGC50) for Tetrahymena pyriformis.

  3. Molecular structure of the lecithin ripple phase.

    PubMed

    de Vries, Alex H; Yefimov, Serge; Mark, Alan E; Marrink, Siewert J

    2005-04-12

    Molecular dynamics simulations of lecithin lipid bilayers in water as they are cooled from the liquid crystalline phase show the spontaneous formation of rippled bilayers. The ripple consists of two domains of different length and orientation, connected by a kink. The organization of the lipids in one domain of the ripple is found to be that of a splayed gel; in the other domain the lipids are gel-like and fully interdigitated. In the concave part of the kink region between the domains the lipids are disordered. The results are consistent with the experimental information available and provide an atomic-level model that may be tested by further experiments.

  4. Molecular structure of the lecithin ripple phase

    PubMed Central

    de Vries, Alex H.; Yefimov, Serge; Mark, Alan E.; Marrink, Siewert J.

    2005-01-01

    Molecular dynamics simulations of lecithin lipid bilayers in water as they are cooled from the liquid crystalline phase show the spontaneous formation of rippled bilayers. The ripple consists of two domains of different length and orientation, connected by a kink. The organization of the lipids in one domain of the ripple is found to be that of a splayed gel; in the other domain the lipids are gel-like and fully interdigitated. In the concave part of the kink region between the domains the lipids are disordered. The results are consistent with the experimental information available and provide an atomic-level model that may be tested by further experiments. PMID:15809443

  5. ALMA MULTI-LINE IMAGING OF THE NEARBY STARBURST NGC 253

    SciTech Connect

    Meier, David S.; Walter, Fabian; Zschaechner, Laura K.; Bolatto, Alberto D.; Veilleux, Sylvain; Warren, Steven R.; Leroy, Adam K.; Ott, Jürgen; Rosolowsky, Erik; Weiß, Axel; Zwaan, Martin A.

    2015-03-01

    We present spatially resolved (∼50 pc) imaging of molecular gas species in the central kiloparsec of the nearby starburst galaxy NGC 253, based on observations taken with the Atacama Large Millimeter/submillimeter Array. A total of 50 molecular lines are detected over a 13 GHz bandwidth imaged in the 3 mm band. Unambiguous identifications are assigned for 27 lines. Based on the measured high CO/C{sup 17}O isotopic line ratio (≳350), we show that {sup 12}CO(1-0) has moderate optical depths. A comparison of the HCN and HCO{sup +} with their {sup 13}C-substituted isotopologues shows that the HCN(1-0) and HCO{sup +}(1-0) lines have optical depths at least comparable to CO(1-0). H{sup 13}CN/H{sup 13}CO{sup +} (and H{sup 13}CN/HN{sup 13}C) line ratios provide tighter constraints on dense gas properties in this starburst. SiO has elevated abundances across the nucleus. HNCO has the most distinctive morphology of all the bright lines, with its global luminosity dominated by the outer parts of the central region. The dramatic variation seen in the HNCO/SiO line ratio suggests that some of the chemical signatures of shocked gas are being erased in the presence of dominating central radiation fields (traced by C{sub 2}H and CN). High density molecular gas tracers (including HCN, HCO{sup +}, and CN) are detected at the base of the molecular outflow. We also detect hydrogen β recombination lines that, like their α counterparts, show compact, centrally peaked morphologies, distinct from the molecular gas tracers. A number of sulfur based species are mapped (CS, SO, NS, C{sub 2}S, H{sub 2}CS, and CH{sub 3}SH) and have morphologies similar to SiO.

  6. Instructional Approach to Molecular Electronic Structure Theory

    ERIC Educational Resources Information Center

    Dykstra, Clifford E.; Schaefer, Henry F.

    1977-01-01

    Describes a graduate quantum mechanics projects in which students write a computer program that performs ab initio calculations on the electronic structure of a simple molecule. Theoretical potential energy curves are produced. (MLH)

  7. Witnessing the Birth of the Red Sequence: ALMA High-resolution Imaging of [C II] and Dust in Two Interacting Ultra-red Starbursts at z = 4.425

    NASA Astrophysics Data System (ADS)

    Oteo, I.; Ivison, R. J.; Dunne, L.; Smail, I.; Swinbank, A. M.; Zhang, Z.-Y.; Lewis, A.; Maddox, S.; Riechers, D.; Serjeant, S.; Van der Werf, P.; Biggs, A. D.; Bremer, M.; Cigan, P.; Clements, D. L.; Cooray, A.; Dannerbauer, H.; Eales, S.; Ibar, E.; Messias, H.; Michałowski, M. J.; Pérez-Fournon, I.; van Kampen, E.

    2016-08-01

    Exploiting the sensitivity and spatial resolution of the Atacama Large Millimeter/submillimeter Array, we have studied the morphology and the physical scale of the interstellar medium—both gas and dust—in SGP 38326, an unlensed pair of interacting starbursts at z = 4.425. SGP 38326 is the most luminous star bursting system known at z > 4, with a total IR luminosity of L IR ˜ 2.5 × 1013 L ⊙ and a star formation rate of ˜ 4500 M ⊙ yr-1. SGP 38326 also contains a molecular gas reservoir among the most massive yet found in the early universe, and it is the likely progenitor of a massive, red-and-dead elliptical galaxy at z ˜ 3. Probing scales of ˜0.″1 or ˜800 pc we find that the smooth distribution of the continuum emission from cool dust grains contrasts with the more irregular morphology of the gas, as traced by the [C ii] fine structure emission. The gas is also extended over larger physical scales than the dust. The velocity information provided by the resolved [C ii] emission reveals that the dynamics of the two interacting components of SGP 38326 are each compatible with disk-like, ordered rotation, but also reveals an ISM which is turbulent and unstable. Our observations support a scenario where at least a subset of the most distant extreme starbursts are highly dissipative mergers of gas-rich galaxies.

  8. Hygrothermal aging effects on buried molecular structures at epoxy interfaces.

    PubMed

    Myers, John N; Zhang, Chi; Lee, Kang-Wook; Williamson, Jaimal; Chen, Zhan

    2014-01-14

    Interfacial properties such as adhesion are determined by interfacial molecular structures. Adhesive interfaces in microelectronic packages that include organic polymers such as epoxy are susceptible to delamination during accelerated stress testing. Infrared-visible sum frequency generation vibrational spectroscopy (SFG) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used to study molecular structures at buried epoxy interfaces during hygrothermal aging to relate molecular structural changes at buried interfaces to decreases in macroscopic adhesion strength. SFG peaks associated with strongly hydrogen bonded water were detected at hydrophilic epoxy interfaces. Ordered interfacial water was also correlated to large decreases in interfacial adhesion strength that occurred as a result of hygrothermal aging, which suggests that water diffused to the interface and replaced original hydrogen bond networks. No water peaks were observed at hydrophobic epoxy interfaces, which was correlated with a much smaller decrease in adhesion strength from the same aging process. ATR-FTIR water signals observed in the epoxy bulk were mainly contributed by relatively weakly hydrogen bonded water molecules, which suggests that the bulk and interfacial water structure was different. Changes in interfacial methyl structures were observed regardless of the interfacial hydrophobicity which could be due to water acting as a plasticizer that restructured both the bulk and interfacial molecular structure. This research demonstrates that SFG studies of molecular structural changes at buried epoxy interfaces during hygrothermal aging can contribute to the understanding of moisture-induced failure mechanisms in electronic packages that contain organic adhesives.

  9. The Starburst-AGN Connection under the Multiwavelength Limelight

    NASA Astrophysics Data System (ADS)

    Guainazzi, Matteo

    2011-11-01

    Since the discovery of a tight relation between supermassive black hole masses, the bulge luminosity, and the stellar velocity dispersion in the local universe galaxies, mounting experimental evidence has been collected pointing to a connection between nuclear activity and star formation over a wide range of redshifts. Although a growing number of galaxies from different samples exhibit simultaneous starburst and AGN phenomenology, it is still a matter of debate whether this is the smoking gun of a causal relation between them, and, if so, with which trend. Basic issues in modern astrophysics, such as the evolution of galaxies and supermassive black holes, AGN feeding and feedback to the interstellar and intergalactic medium, as well as the role played by the environment on the star formation history are related to this "Starburst-AGN Connection". This Workshop aims at gathering observational and theoretical astronomers so as to answer the following questions: * The "Starburst-AGN Connection": A causal relation? * "Starburst-AGN Connection" at low and high redshift: any evidence for evolution? * Is there a connection between AGN obscuration and star formation? * In which way are the star formation and AGN phenomena affected by the environment? * Do stars contribute to AGN fueling? Multiwavelength observations in the last decade have given a paramount contribution to improve our understanding in this field. The Workshop will build on this panoptic view, and aims at contributing to the scientific case of future ground-based and space large observatories.

  10. Revealing the Most Extreme Starbursts in the Early Universe

    NASA Astrophysics Data System (ADS)

    Conley, Alex

    We have developed a systematic method to select high-redshift massive, dusty starbursts using their far-IR red colors in data from the Herschel Space Observatory. Application to science demonstration data from the HerMES project has shown that this population is numerous (~2 per square degree), and follow up of the first few sources spectroscopically has yielded redshifts from 4 to 6.3. The existence of such extreme starbursts (> 1000 solar masses per year) within 1.6 Gyr of the Big Bang is very difficult to reconcile with models of galaxy formation and evolution, which predict only one such source per hundreds to thousands of square degrees. Here we propose to explore the nature of this population by: (a) developing more efficient methods to select these systems in Herschel data, (b) applying them to several hundred degrees of publicly available data from the HerMES and H-ATLAS surveys, and (c) use the resulting catalog to statistically characterize this population - a critical step in understanding what modifications must be made to current models. Our proposal will increase the number of known high-z massive starburst candidates by an order of magnitude. Taking advantage of the exceptional archival data available in these fields from Spitzer, WISE, and HST, we will study physical conditions in these extreme starbursts, placing them in the context of the overall star formation history of these systems.

  11. AN IONIZATION CONE IN THE DWARF STARBURST GALAXY NGC 5253

    SciTech Connect

    Zastrow, Jordan; Oey, M. S.; Veilleux, Sylvain; McDonald, Michael; Martin, Crystal L.

    2011-11-01

    There are few observational constraints on how the escape of ionizing photons from starburst galaxies depends on galactic parameters. Here we report on the first major detection of an ionization cone in NGC 5253, a nearby starburst galaxy. This high-excitation feature is identified by mapping the emission-line ratios in the galaxy using [S III] {lambda}9069, [S II] {lambda}6716, and H{alpha} narrowband images from the Maryland-Magellan Tunable Filter at Las Campanas Observatory. The ionization cone appears optically thin, which suggests the escape of ionizing photons. The cone morphology is narrow with an estimated solid angle covering just 3% of 4{pi} steradians, and the young, massive clusters of the nuclear starburst can easily generate the radiation required to ionize the cone. Although less likely, we cannot rule out the possibility of an obscured active galactic nucleus source. An echelle spectrum along the minor axis shows complex kinematics that are consistent with outflow activity. The narrow morphology of the ionization cone supports the scenario that an orientation bias contributes to the difficulty in detecting Lyman continuum emission from starbursts and Lyman break galaxies.

  12. Starburst galaxies as seen by gamma-ray telescopes

    NASA Astrophysics Data System (ADS)

    Ohm, Stefan

    2016-06-01

    Starburst galaxies have a highly increased star-formation rate compared to regular galaxies and inject huge amounts of kinetic power into the interstellar medium via supersonic stellar winds, and supernova explosions. Supernova remnants, which are considered to be the main source of cosmic rays (CRs), form an additional, significant energy and pressure component and might influence the star-formation process in a major way. Observations of starburst galaxies at γ-ray energies give us the unique opportunity to study non-thermal phenomena associated with hadronic CRs and their relation to the star-formation process. In this work, recent observations of starburst galaxies with space and ground-based γ-ray telescopes are being reviewed, and the current state of theoretical work on the γ-ray emission is discussed. A special emphasis is put on the prospects of the next-generation Cherenkov Telescope Array for the study of starburst galaxies in particular and star-forming galaxies in general. xml:lang="fr"

  13. The Implications of Extreme Outflows from Extreme Starbursts

    NASA Astrophysics Data System (ADS)

    Heckman, Timothy M.; Borthakur, Sanchayeeta

    2016-05-01

    Interstellar ultraviolet absorption lines provide crucial information about the properties of galactic outflows. In this paper, we augment our previous analysis of the systematic properties of starburst-driven galactic outflows by expanding our sample to include a rare population of starbursts with exceptionally high outflow velocities. In principle, these could be a qualitatively different phenomenon from more typical outflows. However, we find that instead these starbursts lie on, or along the extrapolation of, the trends defined by the more typical systems studied previously by us. We exploit the wide dynamic range provided by this new sample to determine scaling relations of outflow velocity with galaxy stellar mass (M *), circular velocity, star formation rate (SFR), SFR/M *, and SFR/area. We argue that these results can be accommodated within the general interpretational framework we previously advocated, in which a population of ambient interstellar or circumgalactic clouds is accelerated by the combined forces of gravity and the momentum flux from the starburst. We show that this simple physical picture is consistent with both the strong cosmological evolution of galactic outflows in typical star-forming galaxies and the paucity of such galaxies with spectra showing inflows. We also present simple parameterizations of these results that can be implemented in theoretical models and numerical simulations of galaxy evolution.

  14. An Infrared Search for Extinguished Supernovae in Starburst Galaxies

    SciTech Connect

    Grossan, B.; Spillar, E.; Tripp, R.; Pirzkal, N.; Sutin, B.M.; Barnaby, D.

    1999-08-01

    IR and radio-band observations of heavily extinguished regions in starburst galaxies suggest a high supernova (SN) rate associated with such regions. Optically measured SN rates may therefore underestimate the total SN rate by factors of up to 10, as a result of the very high extinction ({ital A}{sub {ital B}}thinsp{approximately}thinsp10{endash}20 mag) to core-collapse SNe in starburst regions. The IR/radio SN rates come from a variety of indirect means, however, which suffer from model dependence and other problems. We describe a direct measurement of the SN rate from a regular patrol of starburst galaxies done with {ital K}{prime}-band imaging to minimize the effects of extinction. A collection of {ital K}{prime}-band measurements of core-collapse SNe near maximum light is presented. Such measurements (excluding 1987A) are not well reported in the literature. Results of a preliminary {ital K}{prime}-band search, using the MIRC camera at the Wyoming Infrared Observatory and an improved search strategy using the new ORCA optics, are described. A monthly patrol of a sample of {ital IRAS} bright (mostly starburst) galaxies within 25 Mpc should yield 1{endash}6 SNe yr{sup {minus}1}, corresponding to the range of estimated SN rates. Our initial MIRC search with low resolution (2&arcsec;2 pixels) failed to find extinguished SNe in the {ital IRAS} galaxies, limiting the SN rate outside the nucleus (at greater than 15{double_prime} radius) to less than 3.8 far-IR SN rate units (SNe per century per 10{sup 10} {ital L}{sub {circle_dot}} measured at 60 and 100 {mu}m, or FIRSRU) at 90{percent} confidence. The MIRC camera had insufficient resolution to search nuclear starburst regions, where starburst and SN activity is concentrated; therefore, we were unable to rigorously test the hypothesis of high SN rates in heavily obscured star-forming regions. We conclude that high-resolution nuclear SN searches in starburst galaxies with small fields are more productive than low

  15. Dusty starburst galaxies in the early Universe as revealed by gravitational lensing.

    PubMed

    Vieira, J D; Marrone, D P; Chapman, S C; De Breuck, C; Hezaveh, Y D; Weiβ, A; Aguirre, J E; Aird, K A; Aravena, M; Ashby, M L N; Bayliss, M; Benson, B A; Biggs, A D; Bleem, L E; Bock, J J; Bothwell, M; Bradford, C M; Brodwin, M; Carlstrom, J E; Chang, C L; Crawford, T M; Crites, A T; de Haan, T; Dobbs, M A; Fomalont, E B; Fassnacht, C D; George, E M; Gladders, M D; Gonzalez, A H; Greve, T R; Gullberg, B; Halverson, N W; High, F W; Holder, G P; Holzapfel, W L; Hoover, S; Hrubes, J D; Hunter, T R; Keisler, R; Lee, A T; Leitch, E M; Lueker, M; Luong-Van, D; Malkan, M; McIntyre, V; McMahon, J J; Mehl, J; Menten, K M; Meyer, S S; Mocanu, L M; Murphy, E J; Natoli, T; Padin, S; Plagge, T; Reichardt, C L; Rest, A; Ruel, J; Ruhl, J E; Sharon, K; Schaffer, K K; Shaw, L; Shirokoff, E; Spilker, J S; Stalder, B; Staniszewski, Z; Stark, A A; Story, K; Vanderlinde, K; Welikala, N; Williamson, R

    2013-03-21

    In the past decade, our understanding of galaxy evolution has been revolutionized by the discovery that luminous, dusty starburst galaxies were 1,000 times more abundant in the early Universe than at present. It has, however, been difficult to measure the complete redshift distribution of these objects, especially at the highest redshifts (z > 4). Here we report a redshift survey at a wavelength of three millimetres, targeting carbon monoxide line emission from the star-forming molecular gas in the direction of extraordinarily bright millimetre-wave-selected sources. High-resolution imaging demonstrates that these sources are strongly gravitationally lensed by foreground galaxies. We detect spectral lines in 23 out of 26 sources and multiple lines in 12 of those 23 sources, from which we obtain robust, unambiguous redshifts. At least 10 of the sources are found to lie at z > 4, indicating that the fraction of dusty starburst galaxies at high redshifts is greater than previously thought. Models of lens geometries in the sample indicate that the background objects are ultra-luminous infrared galaxies, powered by extreme bursts of star formation.

  16. High-resolution X-ray imaging of the Starburst Galaxy M82

    NASA Technical Reports Server (NTRS)

    Bregman, Joel N.; Schulman, Eric; Tomisaka, Kohji

    1995-01-01

    Starburst galaxies are predicted to drive hot flows of gas from their central star-forming regions, and to test this expectation, a deep X-ray image was obtained of the nearby starburst galaxy M82 with the High-Resolution Imager (HRI) on the X-ray telescope ROSAT. Aside from three nuclear point sources, the flux is dominated by diffuse emission that we decompose into components along the disk and along the minor axis. The X-ray surface brightness of the disk component decreases exponentially with a scale length of 0.27 kpc, as does the optical line emission from warm ionized gas. This is not due to steady outflow of gas along the plane, but may indicate a rapid decrease in the star formation and energy input rate beyond the nuclear region. The X-ray emission along the minor axis is consistent with the outflow of gas in a jet that is partially confined within 1.6 kpc of the nucleus and expands freely at larger radii; this emission is detected to a distance of 6 kpc. In the center of M82, the hot gas density is 0.2-0.5/cu cm and the central gas pressure is P/k approximately = 0.3-3 x 10(exp 7) K/cu cm, which is similar to estimates of the pressure in the optical emission-line material and molecular gas.

  17. ISOCAM view of the starburst galaxies M 82, NGC 253 and NGC 1808

    NASA Astrophysics Data System (ADS)

    Förster Schreiber, N. M.; Sauvage, M.; Charmandaris, V.; Laurent, O.; Gallais, P.; Mirabel, I. F.; Vigroux, L.

    2003-03-01

    We present results of mid-infrared lambda = 5.0-16.5 μm spectrophotometric imaging of the starburst galaxies M 82, NGC 253, and NGC 1808 from the ISOCAM instrument on board the Infrared Space Observatory. The mid-infrared spectra of the three galaxies are very similar in terms of features present. The lambda >~ 11 μm continuum attributed to very small dust grains (VSGs) exhibits a large spread in intensity relative to the short-wavelength emission. We find that the 15 mu m dust continuum flux density correlates well with the fine-structure [Ar Ii] 6.99 mu m line flux and thus provides a good quantitative indicator of the level of star formation activity. By contrast, the lambda = 5-11 μm region dominated by emission from polycyclic aromatic hydrocarbons (PAHs) has a nearly invariant shape. Variations in the relative intensities of the PAH features are nevertheless observed, at the 20%-100% level. We illustrate extinction effects on the shape of the mid-infrared spectrum of obscured starbursts, emphasizing the differences depending on the applicable extinction law and the consequences for the interpretation of PAH ratios and extinction estimates. The relative spatial distributions of the PAH, VSG, and [Ar Ii] 6.99 mu m emission between the three galaxies exhibit remarkable differences. The la 1 kpc size of the mid-infrared source is much smaller than the optical extent of our sample galaxies and 70%-100% of the IRAS 12 mu m flux is recovered within the ISOCAM <= 1.5 arcmin2 field of view, indicating that the nuclear starburst dominates the total mid-infrared emission while diffuse light from quiescent disk star formation contributes little. Based on observations with ISO, an ESA project with instruments funded by ESA member states (especially the PI countries: France, Germany, The Netherlands, and the UK), and with participation of ISAS and NASA.

  18. Marine Toxins Origin, Structure, and Molecular Pharmacology

    DTIC Science & Technology

    1990-01-01

    thin-layer chromatography (TLC) were instrumental in the initial isolation and purification processes. Mass spectrometry (MS), infrared spectroscopy ...Frederick, MD 21701-5011 Methods of detection, metabolism, and pathophysiology of the brevetoxins, PbTx-2 and PbTx-3, are summarized. Infrared spectros...1R), circular dichroism (CD), nuclear magnetic resonance spectroscopy (NMR), and X-ray crystal- lography all played important roles in structure

  19. Molecular Eigensolution Symmetry Analysis and Fine Structure

    PubMed Central

    Harter, William G.; Mitchell, Justin C.

    2013-01-01

    Spectra of high-symmetry molecules contain fine and superfine level cluster structure related to J-tunneling between hills and valleys on rovibronic energy surfaces (RES). Such graphic visualizations help disentangle multi-level dynamics, selection rules, and state mixing effects including widespread violation of nuclear spin symmetry species. A review of RES analysis compares it to that of potential energy surfaces (PES) used in Born–Oppenheimer approximations. Both take advantage of adiabatic coupling in order to visualize Hamiltonian eigensolutions. RES of symmetric and D2 asymmetric top rank-2-tensor Hamiltonians are compared with Oh spherical top rank-4-tensor fine-structure clusters of 6-fold and 8-fold tunneling multiplets. Then extreme 12-fold and 24-fold multiplets are analyzed by RES plots of higher rank tensor Hamiltonians. Such extreme clustering is rare in fundamental bands but prevalent in hot bands, and analysis of its superfine structure requires more efficient labeling and a more powerful group theory. This is introduced using elementary examples involving two groups of order-6 (C6 and D3~C3v), then applied to families of Oh clusters in SF6 spectra and to extreme clusters. PMID:23344041

  20. Prediction of chemical carcinogenicity from molecular structure.

    PubMed

    Sun, Hongmao

    2004-01-01

    Carcinogens represent a serious threat to human health. In vivo determination of carcinogenicity is time-consuming and expensive, thus in silico models to predict chemical carcinogenicity are highly desirable for virtual screening of compound libraries of both pharmaceutically and other commercially interesting molecules. In the present study, a PLS-DA (partial least squares discriminant analysis) model was developed to predict carcinogenicities in each of four rodent models: male mouse (MM), female mouse (FM), male rat (MR), and female rat (FR). The data set that was used contained over 520 compounds from both the NTP and the FDA databases. All the models were built from the same molecular descriptor system, which is based on atom typing [Sun, H. J. Chem. Inf. Comput. Sci. 2004, 44, 748-757], enabling the comparison of atomic contributions to carcinogenicity with respect to species and gender. Using four components, the models were able to achieve excellent fitting and prediction, with r(2) = 0.987 and q(2) = 0.944 for MM, r(2) = 0.985 and q(2) = 0.950 for FM, r(2) = 0.989 and q(2) = 0.962 for MR, and r(2) = 0.990 and q(2) = 0.965 for FR. The models were further validated by response permutation testing and external validation, and the results indicated that the models were both statistically significant and predictive. Variable influence on projection (VIP) analysis identified the key atom types and fragments that contributed to carcinogenicities and response differences across species and gender.

  1. Giant Molecular Cloud Structure and Evolution

    NASA Technical Reports Server (NTRS)

    Hollenbach, David (Technical Monitor); Bodenheimer, P. H.

    2003-01-01

    Bodenheimer and Burkert extended earlier calculations of cloud core models to study collapse and fragmentation. The initial condition for an SPH collapse calculation is the density distribution of a Bonnor-Ebert sphere, with near balance between turbulent plus thermal energy and gravitational energy. The main parameter is the turbulent Mach number. For each Mach number several runs are made, each with a different random realization of the initial turbulent velocity field. The turbulence decays on a dynamical time scale, leading the cloud into collapse. The collapse proceeds isothermally until the density has increased to about 10(exp 13) g cm(exp -3). Then heating is included in the dense regions. The nature of the fragmentation is investigated. About 15 different runs have been performed with Mach numbers ranging from 0.3 to 3.5 (the typical value observed in molecular cloud cores is 0.7). The results show a definite trend of increasing multiplicity with increasing Mach number (M), with the number of fragments approximately proportional to (1 + M). In general, this result agrees with that of Fisher, Klein, and McKee who published three cases with an AMR grid code. However our results show that there is a large spread about this curve. For example, for M=0.3 one case resulted in no fragmentation while a second produced three fragments. Thus it is not only the value of M but also the details of the superposition of the various velocity modes that play a critical role in the formation of binaries. Also, the simulations produce a wide range of separations (10-1000 AU) for the multiple systems, in rough agreement with observations. These results are discussed in two conference proceedings.

  2. Complementary molecular information changes our perception of food web structure.

    PubMed

    Wirta, Helena K; Hebert, Paul D N; Kaartinen, Riikka; Prosser, Sean W; Várkonyi, Gergely; Roslin, Tomas

    2014-02-04

    How networks of ecological interactions are structured has a major impact on their functioning. However, accurately resolving both the nodes of the webs and the links between them is fraught with difficulties. We ask whether the new resolution conferred by molecular information changes perceptions of network structure. To probe a network of antagonistic interactions in the High Arctic, we use two complementary sources of molecular data: parasitoid DNA sequenced from the tissues of their hosts and host DNA sequenced from the gut of adult parasitoids. The information added by molecular analysis radically changes the properties of interaction structure. Overall, three times as many interaction types were revealed by combining molecular information from parasitoids and hosts with rearing data, versus rearing data alone. At the species level, our results alter the perceived host specificity of parasitoids, the parasitoid load of host species, and the web-wide role of predators with a cryptic lifestyle. As the northernmost network of host-parasitoid interactions quantified, our data point exerts high leverage on global comparisons of food web structure. However, how we view its structure will depend on what information we use: compared with variation among networks quantified at other sites, the properties of our web vary as much or much more depending on the techniques used to reconstruct it. We thus urge ecologists to combine multiple pieces of evidence in assessing the structure of interaction webs, and suggest that current perceptions of interaction structure may be strongly affected by the methods used to construct them.

  3. Complementary molecular information changes our perception of food web structure

    PubMed Central

    Wirta, Helena K.; Hebert, Paul D. N.; Kaartinen, Riikka; Prosser, Sean W.; Várkonyi, Gergely; Roslin, Tomas

    2014-01-01

    How networks of ecological interactions are structured has a major impact on their functioning. However, accurately resolving both the nodes of the webs and the links between them is fraught with difficulties. We ask whether the new resolution conferred by molecular information changes perceptions of network structure. To probe a network of antagonistic interactions in the High Arctic, we use two complementary sources of molecular data: parasitoid DNA sequenced from the tissues of their hosts and host DNA sequenced from the gut of adult parasitoids. The information added by molecular analysis radically changes the properties of interaction structure. Overall, three times as many interaction types were revealed by combining molecular information from parasitoids and hosts with rearing data, versus rearing data alone. At the species level, our results alter the perceived host specificity of parasitoids, the parasitoid load of host species, and the web-wide role of predators with a cryptic lifestyle. As the northernmost network of host–parasitoid interactions quantified, our data point exerts high leverage on global comparisons of food web structure. However, how we view its structure will depend on what information we use: compared with variation among networks quantified at other sites, the properties of our web vary as much or much more depending on the techniques used to reconstruct it. We thus urge ecologists to combine multiple pieces of evidence in assessing the structure of interaction webs, and suggest that current perceptions of interaction structure may be strongly affected by the methods used to construct them. PMID:24449902

  4. Ionization probes of molecular structure and chemistry

    SciTech Connect

    Johnson, P.M.

    1993-12-01

    Various photoionization processes provide very sensitive probes for the detection and understanding of the spectra of molecules relevant to combustion processes. The detection of ionization can be selective by using resonant multiphoton ionization or by exploiting the fact that different molecules have different sets of ionization potentials. Therefore, the structure and dynamics of individual molecules can be studied even in a mixed sample. The authors are continuing to develop methods for the selective spectroscopic detection of molecules by ionization, and to use these methods for the study of some molecules of combustion interest.

  5. Syntheses and molecular structures of new cali.

    PubMed

    Attner, J; Radius, U

    2001-01-01

    An unusual disproportionation reaction of the molybdenum(IV) and tungsten(IV) chlorides [MCl4L2] (M=Mo, L=Et2S, Et2O; M=W; L= Et2S) in the presence of p-tBu-calix[4]arene (Cax(OH)4) and triethylamine leads to d0 complexes [(CaxO4)[CaxO2(OH)2]M] (1) and d3 compounds (HNEt3)2[(CaxO4)2M2] (2). Complexes la (M = Mo), 1b (M = W), and the HCl adduct of 2a (M = Mo) have been structurally characterized. Compound 1a represents one of the few examples of a well-characterized molybdenum(VI) hexa-alkoxide complex of the type [Mo(OR)6]. Isolation and structural characterization of the side product [(CaxO4W)[kappa2(O)-kappa1(O)-CaxO3(OH)](CaxO4WCl)] (3) suggests the intermediacy of chloro-containing calix[4]arene complexes in these reaction mixtures. The reaction of 1a with HCI provides [CaxO4MoCl2] (4a), the first well-defined example of a mixed molybdenum(VI) alkoxide halide compound of the general formula [MoClx(OR)6-x].

  6. Microwave spectrum and molecular structure of PNO

    NASA Astrophysics Data System (ADS)

    Okabayashi, Toshiaki; Yamazaki, Emi; Tanimoto, Mitsutoshi

    1999-08-01

    The microwave spectra of P14N16O and its isotopomers P15N16O and P14N18O were observed in a dc glow discharge plasma of a mixture of nitric oxide and hydrogen gases over solid red phosphorus placed on the stainless steel electrode. Rotational transitions of the parent P14N16O species were measured in the ground state as well as in the vibrationally excited ν1 (PN str.), ν2 (bend), and 2ν2 states. The l=0 substate of the 2ν2 state interacts with the ν1 state through a Fermi resonance. The rotational constants determined for the ground states of the three isotopomers yield the substitution structure, rs(PN)=151.6516(87) pm and rs(NO)=119.5025(80) pm.

  7. Molecular structures and properties of starches of Australian wild rice.

    PubMed

    Tikapunya, Tiparat; Zou, Wei; Yu, Wenwen; Powell, Prudence O; Fox, Glen P; Furtado, Agnelo; Henry, Robert J; Gilbert, Robert G

    2017-09-15

    Australian wild rices have significant genetic differences from domesticated rices, which might provide rices with different starch molecular structure and thus different functional properties. Molecular structure, gelatinization properties, and pasting behaviours of starch of three Australian wild rices (Oryza australiensis, taxa A (O. rufipogon like) and taxa B (O. meridionalis like)) were determined and compared to domesticated indica and japonica rice. These had higher amylose content, more shorter amylose chains and fewer short amylopectin chains, resulted in a high gelatinization temperature in these wild rices. Compared to domesticated japonica rice, taxa A had a lower pasting viscosity; taxa B had a similar pasting viscosity but lower final viscosity. The significantly different starch molecular structure from that of normal domesticated rices, and concomitantly different properties, suggest advantageous uses in products such as rice crackers or rice pudding, and a source of nutritionally-desirable slowly digestible starch. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Molecular structure of vapor-deposited amorphous selenium

    NASA Astrophysics Data System (ADS)

    Goldan, A. H.; Li, C.; Pennycook, S. J.; Schneider, J.; Blom, A.; Zhao, W.

    2016-10-01

    The structure of amorphous selenium is clouded with much uncertainty and contradictory results regarding the dominance of polymeric chains versus monomer rings. The analysis of the diffraction radial distribution functions are inconclusive because of the similarities between the crystalline allotropes of selenium in terms of the coordination number, bond length, bond angle, and dihedral angle. Here, we took a much different approach and probed the molecular symmetry of the thermodynamically unstable amorphous state via analysis of structural phase transformations. We verified the structure of the converted metastable and stable crystalline structures using scanning transmission electron microscopy. In addition, given that no experimental technique can tell us the exact three-dimensional atomic arrangements in glassy semiconductors, we performed molecular-dynamic simulations using a well-established empirical three-body interatomic potential. We developed a true vapor-deposited process for the deposition of selenium molecules onto a substrate using empirical molecular vapor compositions and densities. We prepared both vapor-deposited and melt-quenched samples and showed that the simulated radial distribution functions match very well to experiment. The combination of our experimental and molecular-dynamic analyses shows that the structures of vapor- and melt-quenched glassy/amorphous selenium are quite different, based primarily on rings and chains, respectively, reflecting the predominant structure of the parent phase in its thermodynamic equilibrium.

  9. MUSE Reveals a Recent Merger in the Post-starburst Host Galaxy of the TDE ASASSN-14li

    NASA Astrophysics Data System (ADS)

    Prieto, J. L.; Krühler, T.; Anderson, J. P.; Galbany, L.; Kochanek, C. S.; Aquino, E.; Brown, J. S.; Dong, Subo; Förster, F.; Holoien, T. W.-S.; Kuncarayakti, H.; Maureira, J. C.; Rosales-Ortega, F. F.; Sánchez, S. F.; Shappee, B. J.; Stanek, K. Z.

    2016-10-01

    We present Multi Unit Spectroscopic Explorer (MUSE) integral field spectroscopic observations of the host galaxy (PGC 043234) of one of the closest (z = 0.0206, D ≃ 90 Mpc) and best-studied tidal disruption events (TDEs), ASASSN-14li. The MUSE integral field data reveal asymmetric and filamentary structures that extend up to ≳10 kpc from the post-starburst host galaxy of ASASSN-14li. The structures are traced only through the strong nebular [O iii] λ5007, [N ii] λ6584, and Hα emission lines. The total off-nuclear [O iii] λ5007 luminosity is 4.7 × 1039 erg s-1, and the ionized H mass is ˜ {10}4(500/{n}{{e}}) {M}⊙ . Based on the Baldwin-Phillips-Terlevich diagram, the nebular emission can be driven by either AGN photoionization or shock excitation, with AGN photoionization favored given the narrow intrinsic line widths. The emission line ratios and spatial distribution strongly resemble ionization nebulae around fading AGNs such as IC 2497 (Hanny's Voorwerp) and ionization “cones” around Seyfert 2 nuclei. The morphology of the emission line filaments strongly suggest that PGC 043234 is a recent merger, which likely triggered a strong starburst and AGN activity leading to the post-starburst spectral signatures and the extended nebular emission line features we see today. We briefly discuss the implications of these observations in the context of the strongly enhanced TDE rates observed in post-starburst galaxies and their connection to enhanced theoretical TDE rates produced by supermassive black hole binaries.

  10. THE GREEN BANK TELESCOPE MAPS THE DENSE, STAR-FORMING GAS IN THE NEARBY STARBURST GALAXY M82

    SciTech Connect

    Kepley, Amanda A.; Frayer, David; Leroy, Adam K.; Usero, Antonio; Walter, Fabian

    2014-01-01

    Observations of the Milky Way and nearby galaxies show that dense molecular gas correlates with recent star formation, suggesting that the formation of this gas phase may help regulate star formation. A key test of this idea requires wide-area, high-resolution maps of dense molecular gas in galaxies to explore how local physical conditions drive dense gas formation, but these observations have been limited because of the faintness of dense gas tracers like HCN and HCO{sup +}. Here we demonstrate the power of the Robert C. Byrd Green Bank Telescope (GBT)—the largest single-dish millimeter radio telescope—for mapping dense gas in galaxies by presenting the most sensitive maps yet of HCN and HCO{sup +} in the starburst galaxy M82. The HCN and HCO{sup +} in the disk of this galaxy correlates with both recent star formation and more diffuse molecular gas and shows kinematics consistent with a rotating torus. The HCO{sup +} emission extending to the north and south of the disk is coincident with the outflow previously identified in CO and traces the eastern edge of the hot outflowing gas. The central starburst region has a higher ratio of star formation to dense gas than the outer regions, pointing to the starburst as a key driver of this relationship. These results establish that the GBT can efficiently map the dense molecular gas at 90 GHz in nearby galaxies, a capability that will increase further with the 16 element feed array under construction.

  11. Reverse engineering chemical structures from molecular descriptors : how many solutions?

    SciTech Connect

    Brown, William Michael; Martin, Shawn Bryan; Faulon, Jean-Loup Michel

    2005-06-01

    Physical, chemical and biological properties are the ultimate information of interest for chemical compounds. Molecular descriptors that map structural information to activities and properties are obvious candidates for information sharing. In this paper, we consider the feasibility of using molecular descriptors to safely exchange chemical information in such a way that the original chemical structures cannot be reverse engineered. To investigate the safety of sharing such descriptors, we compute the degeneracy (the number of structure matching a descriptor value) of several 2D descriptors, and use various methods to search for and reverse engineer structures. We examine degeneracy in the entire chemical space taking descriptors values from the alkane isomer series and the PubChem database. We further use a stochastic search to retrieve structures matching specific topological index values. Finally, we investigate the safety of exchanging of fragmental descriptors using deterministic enumeration.

  12. Comprehensive Molecular Structure of the Eukaryotic Ribosome

    PubMed Central

    Taylor, Derek J.; Devkota, Batsal; Huang, Andrew D.; Topf, Maya; Narayanan, Eswar; Sali, Andrej; Harvey, Stephen C.; Frank, Joachim

    2009-01-01

    Despite the emergence of a large number of X-ray crystallographic models of the bacterial 70S ribosome over the past decade, an accurate atomic model of the eukaryotic 80S ribosome is still not available. Eukaryotic ribosomes possess more ribosomal proteins and ribosomal RNA than bacterial ribosomes, which are implicated in extra-ribosomal functions in the eukaryotic cells. By combining cryo-EM with RNA and protein homology modeling, we obtained an atomic model of the yeast 80S ribosome complete with all ribosomal RNA expansion segments and all ribosomal proteins for which a structural homolog can be identified. Mutation or deletion of 80S ribosomal proteins can abrogate maturation of the ribosome, leading to several human diseases. We have localized one such protein unique to eukaryotes, rpS19e, whose mutations are associated with Diamond-Blackfan anemia in humans. Additionally, we characterize crucial and novel interactions between the dynamic stalk base of the ribosome with eukaryotic elongation factor 2. PMID:20004163

  13. Molecular Evolution, Structure, and Function of Peroxidasins

    PubMed Central

    Soudi, Monika; Zamocky, Marcel; Jakopitsch, Christa; Furtmüller, Paul G; Obinger, Christian

    2012-01-01

    Peroxidasins represent the subfamily 2 of the peroxidase-cyclooxygenase superfamily and are closely related to chordata peroxidases (subfamily 1) and peroxinectins (subfamily 3). They are multidomain proteins containing a heme peroxidase domain with high homology to human lactoperoxidase that mediates one- and two-electron oxidation reactions. Additional domains of the secreted and glycosylated metalloproteins are type C-like immunoglobulin domains, typical leucine-rich repeats, as well as a von Willebrand factor C module. These are typical motifs of extracellular proteins that mediate protein–protein interactions. We have reconstructed the phylogeny of this new family of oxidoreductases and show the presence of four invertebrate clades as well as one vertebrate clade that includes also two different human representatives. The variability of domain assembly in the various clades was analyzed, as was the occurrence of relevant catalytic residues in the peroxidase domain based on the knowledge of catalysis of the mammalian homologues. Finally, the few reports on expression, localization, enzymatic activity, and physiological roles in the model organisms Drosophila melanogaster, Caenorhabditis elegans, and Homo sapiens are critically reviewed. Roles attributed to peroxidasins include antimicrobial defense, extracellular matrix formation, and consolidation at various developmental stages. Many research questions need to be solved in future, including detailed biochemical/physical studies and elucidation of the three dimensional structure of a model peroxidasin as well as the relation and interplay of the domains and the in vivo functions in various organisms including man. PMID:22976969

  14. RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity.

    PubMed

    Hu, Qian-Nan; Deng, Zhe; Hu, Huanan; Cao, Dong-Sheng; Liang, Yi-Zeng

    2011-09-01

    Biochemical reactions play a key role to help sustain life and allow cells to grow. RxnFinder was developed to search biochemical reactions from KEGG reaction database using three search criteria: molecular structures, molecular fragments and reaction similarity. RxnFinder is helpful to get reference reactions for biosynthesis and xenobiotics metabolism. RxnFinder is freely available via: http://sdd.whu.edu.cn/rxnfinder. qnhu@whu.edu.cn.

  15. Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments

    PubMed Central

    Shen, Rong; Han, Wei; Fiorin, Giacomo; Islam, Shahidul M.; Schulten, Klaus; Roux, Benoît

    2015-01-01

    The knowledge of multiple conformational states is a prerequisite to understand the function of membrane transport proteins. Unfortunately, the determination of detailed atomic structures for all these functionally important conformational states with conventional high-resolution approaches is often difficult and unsuccessful. In some cases, biophysical and biochemical approaches can provide important complementary structural information that can be exploited with the help of advanced computational methods to derive structural models of specific conformational states. In particular, functional and spectroscopic measurements in combination with site-directed mutations constitute one important source of information to obtain these mixed-resolution structural models. A very common problem with this strategy, however, is the difficulty to simultaneously integrate all the information from multiple independent experiments involving different mutations or chemical labels to derive a unique structural model consistent with the data. To resolve this issue, a novel restrained molecular dynamics structural refinement method is developed to simultaneously incorporate multiple experimentally determined constraints (e.g., engineered metal bridges or spin-labels), each treated as an individual molecular fragment with all atomic details. The internal structure of each of the molecular fragments is treated realistically, while there is no interaction between different molecular fragments to avoid unphysical steric clashes. The information from all the molecular fragments is exploited simultaneously to constrain the backbone to refine a three-dimensional model of the conformational state of the protein. The method is illustrated by refining the structure of the voltage-sensing domain (VSD) of the Kv1.2 potassium channel in the resting state and by exploring the distance histograms between spin-labels attached to T4 lysozyme. The resulting VSD structures are in good agreement with

  16. Importance of Molecular Structure on the Thermophoresis of Binary Mixtures.

    PubMed

    Kumar, Pardeep; Goswami, Debabrata

    2014-12-26

    Using thermal lens spectroscopy, we study the role of molecular structural isomers of butanol on the thermophoresis (or Soret effect) of binary mixtures of methanol in butanol. In this study, we show that the thermal lens signal due to the Soret effect changes its sign for all the different concentrations of binary mixtures of butanol with methanol except for the one containing tertiary-butanol. The magnitude and sign of the Soret coefficients strongly depend on the molecular structure of the isomers of butanol in the binary mixture with methanol. This isomerization dependence is in stark contrast to the expected mass dependence of the Soret effect.

  17. Gamma-rays from pulsar wind nebulae in starburst galaxies

    NASA Astrophysics Data System (ADS)

    Mannheim, Karl; Elsässer, Dominik; Tibolla, Omar

    2012-07-01

    Recently, gamma-ray emission at TeV energies has been detected from the starburst galaxies NGC253 (Acero et al., 2009) [1] and M82 (Acciari et al., 2009) [2]. It has been claimed that pion production due to cosmic rays accelerated in supernova remnants interacting with the interstellar gas is responsible for the observed gamma rays. Here, we show that the gamma-ray pulsar wind nebulae left behind by the supernovae contribute to the TeV luminosity in a major way. A single pulsar wind nebula produces about ten times the total luminosity of the Sun at energies above 1 TeV during a lifetime of 105 years. A large number of 3 × 104 pulsar wind nebulae expected in a typical starburst galaxy at a distance of 4 Mpc can readily produce the observed TeV gamma rays.

  18. Ultraviolet Imaging of NGC 3310: A Merger-driven Global Starburst

    NASA Astrophysics Data System (ADS)

    Smith, Denise A.; Neff, Susan G.; Bothun, Gregory D.; Fanelli, Michael N.; Offenberg, Joel D.; Waller, William H.; Bohlin, Ralph C.; O'Connell, Robert W.; Roberts, Morton S.; Smith, Andrew M.; Stecher, Theodore P.

    1996-12-01

    We present the first far-ultraviolet (FUV; lambda ~ 1500 A) image of the nearby peculiar SAB(r)bc galaxy NGC 3310. The small 15" (945 pc) diameter circumnuclear starburst ring is the most luminous structure, producing 30% of the total observed FUV luminosity. Diffuse emission from the inner disk (20" < R < 40") contributes another ~20% of the observed FUV flux. A linear feature (the "arrow") appears to be a star-forming tidal feature. A diffuse arc observed at optical wavelengths (the "bow") is not visible in the FUV and is probably a tidally induced shell composed of older stars. Mean star formation rates range from 0.031 Msolar yr-1 kpc-2 in the arrow to 2.1 Msolar yr-1 kpc-2 at the brightest FUV source. The striking similarity between the R1/4 law behavior of the FUV and B-band surface brightness profiles, combined with the very blue colors of NGC 3310, strongly argues that the present morphology is the result of a global starburst triggered by a merger with a dwarf companion.

  19. Structural properties of CHAPS micelles, studied by molecular dynamics simulations.

    PubMed

    Herrera, Fernando E; Garay, A Sergio; Rodrigues, Daniel E

    2014-04-10

    Detergents are essential tools to study biological membranes, and they are frequently used to solubilize lipids and integral membrane proteins. Particularly the nondenaturing zwitterionic detergent usually named CHAPS was designed for membrane biochemistry and integrates the characteristics of the sulfobetaine-type detergents and bile salts. Despite the available experimental data little is known about the molecular structure of its micelles. In this work, molecular dynamics simulations were performed to study the aggregation in micelles of several numbers of CHAPS (≤ 18) starting from a homogeneous water dilution. The force field parameters to describe the interactions of the molecule were developed and validated. After 50 ns of simulation almost all the systems result in the formation of stable micelles. The molecular shape (gyration radii, volume, surface) and the molecular structure (RDF, salt bridges, H-bonds, SAS) of the micelles were characterized. It was found that the main interactions that lead to the stability of the micelles are the electrostatic ones among the polar groups of the tails and the OH's from the ring moiety. Unlike micelles of other compounds, CHAPS show a grainlike heterogeneity with hydrophobic micropockets. The results are in complete agreement with the available experimental information from NMR, TEM, and SAXS studies, allowing the modeling of the molecular structure of CHAPS micelles. Finally, we hope that the new force field parameters for this detergent will be a significant contribution to the knowledge of such an interesting molecule.

  20. From non-random molecular structure to life and mind

    NASA Technical Reports Server (NTRS)

    Fox, S. W.

    1989-01-01

    The evolutionary hierarchy molecular structure-->macromolecular structure-->protobiological structure-->biological structure-->biological functions has been traced by experiments. The sequence always moves through protein. Extension of the experiments traces the formation of nucleic acids instructed by proteins. The proteins themselves were, in this picture, instructed by the self-sequencing of precursor amino acids. While the sequence indicated explains the thread of the emergence of life, protein in cellular membrane also provides the only known material basis for the emergence of mind in the context of emergence of life.

  1. From non-random molecular structure to life and mind

    NASA Technical Reports Server (NTRS)

    Fox, S. W.

    1989-01-01

    The evolutionary hierarchy molecular structure-->macromolecular structure-->protobiological structure-->biological structure-->biological functions has been traced by experiments. The sequence always moves through protein. Extension of the experiments traces the formation of nucleic acids instructed by proteins. The proteins themselves were, in this picture, instructed by the self-sequencing of precursor amino acids. While the sequence indicated explains the thread of the emergence of life, protein in cellular membrane also provides the only known material basis for the emergence of mind in the context of emergence of life.

  2. Determination of structure parameters in molecular tunnelling ionisation model

    NASA Astrophysics Data System (ADS)

    Wang, Jun-Ping; Zhao, Song-Feng; Zhang, Cai-Rong; Li, Wei; Zhou, Xiao-Xin

    2014-04-01

    We extracted the accurate structure parameters in a molecular tunnelling ionisation model (the so-called MO-ADK model) for 23 selected linear molecules including some inner orbitals. The molecular wave functions with the correct asymptotic behaviour are obtained by solving the time-independent Schrödinger equation with B-spline functions and molecular potentials numerically constructed using the modified Leeuwen-Baerends (LBα) model. We show that the orientation-dependent ionisation rate reflects the shape of the ionising orbitals in general. The influences of the Stark shifts of the energy levels on the orientation-dependent ionisation rates of the polar molecules are studied. We also examine the angle-dependent ionisation rates (or probabilities) based on the MO-ADK model by comparing with the molecular strong-field approximation calculations and with recent experimental measurements.

  3. ALMA Reveals Internal Structure of Molecular Clouds in the LMC

    NASA Astrophysics Data System (ADS)

    Sawada, T.; Hasegawa, T.; Koda, J.

    2015-12-01

    We carried out high-resolution (0.7 pc) CO J=1-0 mosaic observations of five giant molecular clouds, which cover a wide range of evolutionary stages based on their associations to recent star formation, in the Large Magellanic Cloud with ALMA. The observations revealed a variety of spatial structures of the gas, from faint and diffuse emission to bright and compact structures. The variation of structures, which is similar to that seen in the Milky Way, is quantified by the brightness distribution function (BDF) and brightness distribution index (BDI) established in our prior studies. The structured molecular gas may indicate the readiness for, rather than the outcome of, star formation.

  4. HAWK-I infrared supernova search in starburst galaxies

    NASA Astrophysics Data System (ADS)

    Miluzio, M.; Cappellaro, E.; Botticella, M. T.; Cresci, G.; Greggio, L.; Mannucci, F.; Benetti, S.; Bufano, F.; Elias-Rosa, N.; Pastorello, A.; Turatto, M.; Zampieri, L.

    2013-06-01

    Context. The use of SN rates to probe explosion scenarios and to trace the cosmic star formation history received a boost from a number of synoptic surveys. There has been a recent claim of a mismatch by a factor of two between star formation and core collapse SN rates, and different explanations have been proposed for this discrepancy. Aims: We attempted an independent test of the relation between star formation and supernova rates in the extreme environment of starburst galaxies, where both star formation and extinction are extremely high. Methods: To this aim we conducted an infrared supernova search in a sample of local starbursts galaxies. The rationale behind searching in the infrared is to reduce the bias due to extinction, which is one of the putative reasons for the observed discrepancy between star formation and supernova rates. To evaluate the outcome of the search we developed a MonteCarlo simulation tool that is used to predict the number and properties of the expected supernovae based on the search characteristics and the current understanding of starburst galaxies and supernovae. Results: During the search we discovered 6 supernovae (4 with spectroscopic classification), which is in excellent agreement with the prediction of the MonteCarlo simulation tool that is, on average, 5.3 ± 2.3 events. Conclusions: The number of supernovae detected in starburst galaxies is consistent with what is predicted from their high star formation rate when we recognize that a major fraction (~ 60%) of the events remain hidden in the inaccessible, high-density nuclear regions because of a combination of reduced search efficiency and high extinction. ESO proposal: 083.D-0259, 085.D-0335, 085.D-0348, 087.D-0494, 087.D-0922. GTC proposal: GTC50-11B.

  5. Starburst or AGN dominance in submm-luminous candidate AGN

    NASA Astrophysics Data System (ADS)

    Coppin, Kristen; Alexander, Dave; Aretxaga, Itziar; Blain, Andrew; Chapman, Scott; Clements, Dave; Dunlop, James; Dunne, Loretta; Dye, Simon; Farrah, Duncan; Hughes, David; Ivison, Rob; Kim, Sungeun; Menendez-Delmestre, Karin; Oliver, Sebastian; Page, Mat; Pope, Alexandra; Rowan-Robinson, Michael; Scott, Douglas; Smail, Ian; Swinbank, Mark; Vaccari, Mattia; van Kampen, Eelco

    2008-03-01

    It is widely believed that starbursts/ULIRGs and AGN activity are triggered by galaxy interactions and merging; and sub-mm selected galaxies (SMGs) seem to be simply high redshift ULIRGs, observed near the peak of activity. In this evolutionary picture every SMG would host an AGN, which would eventually grow a black hole strong enough to blow off all of the gas and dust leaving an optically luminous QSO. In order to probe this evolutionary sequence, a crucial sub-sample to focus on would be the 'missing link' sources, which demonstrate both strong starburst and AGN signatures and to determine if the starburst is the main power source even in SMGs when we have evidence that an AGN is present. The best way to determine if a dominant AGN is present is to look in the mid-IR for their signatures, since often even deep X-ray observations miss identifying the presence of AGN in heavily dust-obscured SMGs. We have selected a sample of SMGs which are good candidates for harboring powerful AGN on the basis of their IRAC colours (S8um/S4.5um>2). Once we confirm these SMGs are AGN-dominated, we can then perform an audit of the energy balance between star-formation and AGN within this special sub-population of SMGs where the BH has grown appreciably to begin heating the dust emission. The proposed observations with IRS will probe the physics of how SMGs evolve from a cold-dust starburst-dominated ULIRG to an AGN/QSO by measuring the level of the mid-IR continuum, PAH luminosity, and Si absorption in these intermediate `transitory' AGN/SMGs.

  6. A starburst region around l = 347° - 350°

    NASA Astrophysics Data System (ADS)

    Marco, A.; Negueruela, I.; Monguió, M.; González-Fernández, C.; Maíz Apellániz, J.; Dorda, R.; Clark, J. S.

    2017-03-01

    Very recently, a number of obscured massive open clusters have been identified in the Milky Way. A very significant fraction of them lie either close to the base of the Scutum Arm or towards Galactic longitude of 350°. We are studying these clusters and their neighbourhoods, finding very good evidence for a major starburst region close to the near tip of the Galactic Long Bar.

  7. Numerical models of starburst galaxies: Galactic winds and entrained gas

    NASA Astrophysics Data System (ADS)

    Tanner, Ryan

    My three-dimensional hydro-dynamical simulations of starbursts examine the formation of starburst-driven superbubbles over a range of driving luminosities and mass loadings that determine superbubble growth and wind velocity; floors of both 10 and 10. 4 K are considered. From this I determine the relationshipbetween the velocity of a galactic wind and the characteristics of the starburst. I find a threshold for the formation of a wind, above which the wind speed is not affected by grid resolution or the temperature floor of the radiative cooling employed. Optically bright filaments form at the edge of merging superbubbles, or where a cold dense cloud has been disrupted by the wind. Filaments formed by merging superbubbles will persist and grow to >400 pc in length if anchored to and fed from a star forming complex. For galaxies viewed edge on I use total emission from the superbubble to infer the wind velocity and starburst properties such as thermalization efficiency and mass loading factor. Using synthetic absorption profiles I probe different temperature regimes and measure the velocity of the cold, warm and hot gas phases. I find that the cold and warm gas entrained in the wind move at a much lower velocity than the hot gas, with some of the cold gas in the filaments hardly moving with respect to the galaxy. The absorption profiles show that the velocity of the hot galactic outflow does not depend on the star formation rate (SFR), but the velocity of the warm gas does. The velocity of the warm gas scales as SFR. delta untilthe wind velocity reaches 80 % of the analytic terminal wind speed. The value of delta depends on the atomic ionization with a lower value for low ionization, and a higher value for higher ionization.

  8. Extended hot-gas halos around starburst galaxies

    NASA Technical Reports Server (NTRS)

    Tomisaka, Kohji; Bregman, Joel N.

    1993-01-01

    A reanalysis of Einstein Imaging Proportional Counter (IPC) data and new observations from the Ginga Large Area (Proportional) counters (LAC) indicate the presence of extended X-ray emission (10-50 kpc) around the starburst galaxy M82. Here, we discuss our model of this emission, which was obtained by performing numerical hydrodynamic simulations of the starburst event to much later times and larger scales than were previously considered. For our models, we adopted a supernova rate of 0.1/yr, and an extended low-density static halo that is bound to the galaxy. There are three stages to the evolution of the wind-blown bubble and the propagation of the shock front: the bubble expands in an almost uniform density disk gas, with a deceleration of the shock front (t is less than or approximately 3.6 Myr); breakout from the disk and the upward acceleration of the shock front (3.6 Myr is less than or approximately t is less than or approximately 18 Myr); propagation into the halo, leading to a more spherical system and shock deceleration (18 Myr is less than or approximately t). For a halo density of 10(exp -3)/cu cm, the outflow reaches a distance of 40-50 kpc from the center of the starburst galaxy in 50 Myr. We calculated the time evolution of the X-ray luminosity and found that the extended starburst emits 3 x 10(exp 39) erg/s to 10(exp 40) in the Ginga LAC band and approximately 10(exp 41) erg/s in the Einstein band. The degree of the ionization equilibrium in the outflow and its effect on the iron K alpha line emission are discussed.

  9. Origin and structure of polar domains in doped molecular crystals

    PubMed Central

    Meirzadeh, E.; Azuri, I.; Qi, Y.; Ehre, D.; Rappe, A. M.; Lahav, M.; Kronik, L.; Lubomirsky, I.

    2016-01-01

    Doping is a primary tool for the modification of the properties of materials. Occlusion of guest molecules in crystals generally reduces their symmetry by the creation of polar domains, which engender polarization and pyroelectricity in the doped crystals. Here we describe a molecular-level determination of the structure of such polar domains, as created by low dopant concentrations (<0.5%). The approach comprises crystal engineering and pyroelectric measurements, together with dispersion-corrected density functional theory and classical molecular dynamics calculations of the doped crystals, using neutron diffraction data of the host at different temperatures. This approach is illustrated using centrosymmetric α-glycine crystals doped with minute amounts of different L-amino acids. The experimentally determined pyroelectric coefficients are explained by the structure and polarization calculations, thus providing strong support for the local and global understanding of how different dopants influence the properties of molecular crystals. PMID:27824050

  10. The Oligomeric Structure of High Molecular Weight Adiponectin

    PubMed Central

    Suzuki, Shinji; Wilson-Kubalek, Elizabeth M.; Wert, David; Tsao, Tsu-Shuen; Lee, David H.

    2007-01-01

    There is great interest in the structure of adiponectin as its oligomeric state may specify its biological activities. It occurs as a trimer, a hexamer and a high molecular weight complex. Epidemiological data indicates that the high molecular weight form is significant with low serum levels in type 2 diabetics but to date, has not been well-defined. To resolve this issue, characterization of this oligomer from bovine serum and 3T3-L1 adipocytes by sedimentation equilibrium centrifugation and gel electrophoresis respectively, was carried out, revealing that it is octadecameric. Further studies by dynamic light scattering and electron microscopy established that bovine and possibly mouse high molecular weight adiponectin is C1q-like in structure. PMID:17292892

  11. Molecular structure of DNA by scanning tunneling microscopy.

    PubMed

    Cricenti, A; Selci, S; Felici, A C; Generosi, R; Gori, E; Djaczenko, W; Chiarotti, G

    1989-09-15

    Uncoated DNA molecules marked with an activated tris(l-aziridinyl) phosphine oxide (TAPO) solution were deposited on gold substrates and imaged in air with the use of a high-resolution scanning tunneling microscope (STM). Constant-current and gap-modulated STM images show clear evidence of the helicity of the DNA structure: pitch periodicity ranges from 25 to 35 angstroms, whereas the average diameter is 20 angstroms. Molecular structure within a single helix turn was also observed.

  12. Molecular Structure of DNA by Scanning Tunneling Microscopy

    NASA Astrophysics Data System (ADS)

    Cricenti, A.; Selci, S.; Felici, A. C.; Generosi, R.; Gori, E.; Djaczenko, W.; Chiarotti, G.

    1989-09-01

    Uncoated DNA molecules marked with an activated tris(1-aziridinyl) phosphine oxide (TAPO) solution were deposited on gold substrates and imaged in air with the use of a high-resolution scanning tunneling microscope (STM). Constant-current and gap-modulated STM images show clear evidence of the helicity of the DNA structure: pitch periodicity ranges from 25 and 35 angstroms, whereas the average diameter is 20 angstroms. Molecular structure within a single helix turn was also observed.

  13. Rattlesnake Neurotoxin Structure, Mechanism of Action, Immunology and Molecular Biology

    DTIC Science & Technology

    1992-09-10

    Aird, S. D., and Kaiser, I. I. (1988) Physiological and immunological properties of small myotoxins from -Zhe venom of the midget faded rattlesnake ...AD-A258 669 AD RATTLESNAKE NEUROTOXIN STRUCTURE, MECHANISM OF ACTION, IMMUNOLOGY AND MOLECULAR BIOLOGY FINAL REPORT D TIC IVAN I. KAISER ELECTE S DEC...u m_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ 6 2 7 8 7 A I 6 2 7 8 7 A 8 7 7 I A A [ ~A 3 1 7 8 2 1 (u) Rattlesnake neurotoxin structure

  14. A Perfect Starburst Cluster made in One Go: The NGC 3603 Young Cluster

    NASA Astrophysics Data System (ADS)

    Banerjee, Sambaran; Kroupa, Pavel

    2014-06-01

    Understanding how distinct, near-spherical gas-free clusters of very young, massive stars shape out of vast, complex clouds of molecular hydrogen is one of the biggest challenges in astrophysics. A popular thought dictates that a single gas cloud fragments into many newborn stars which, in turn, energize and rapidly expel the residual gas to form a gas-free cluster. This study demonstrates that the above classical paradigm remarkably reproduces the well-observed central, young cluster (HD 97950) of the Galactic NGC 3603 star-forming region, in particular, its shape, internal motion, and mass distribution of stars naturally and consistently follow from a single model calculation. Remarkably, the same parameters (star formation efficiency, gas expulsion timescale, and delay) reproduce HD 97950, as were found to reproduce the Orion Nebula Cluster, Pleiades, and R136. The present results therefore provide intriguing evidence of formation of star clusters through single-starburst events followed by significant residual gas expulsion.

  15. A perfect starburst cluster made in one go: The NGC 3603 young cluster

    SciTech Connect

    Banerjee, Sambaran; Kroupa, Pavel

    2014-06-01

    Understanding how distinct, near-spherical gas-free clusters of very young, massive stars shape out of vast, complex clouds of molecular hydrogen is one of the biggest challenges in astrophysics. A popular thought dictates that a single gas cloud fragments into many newborn stars which, in turn, energize and rapidly expel the residual gas to form a gas-free cluster. This study demonstrates that the above classical paradigm remarkably reproduces the well-observed central, young cluster (HD 97950) of the Galactic NGC 3603 star-forming region, in particular, its shape, internal motion, and mass distribution of stars naturally and consistently follow from a single model calculation. Remarkably, the same parameters (star formation efficiency, gas expulsion timescale, and delay) reproduce HD 97950, as were found to reproduce the Orion Nebula Cluster, Pleiades, and R136. The present results therefore provide intriguing evidence of formation of star clusters through single-starburst events followed by significant residual gas expulsion.

  16. Molecular structure and elastic properties of thermotropic liquid crystals: integrated molecular dynamics--statistical mechanical theory vs molecular field approach.

    PubMed

    Ilk Capar, M; Nar, A; Ferrarini, A; Frezza, E; Greco, C; Zakharov, A V; Vakulenko, A A

    2013-03-21

    The connection between the molecular structure of liquid crystals and their elastic properties, which control the director deformations relevant for electro-optic applications, remains a challenging objective for theories and computations. Here, we compare two methods that have been proposed to this purpose, both characterized by a detailed molecular level description. One is an integrated molecular dynamics-statistical mechanical approach, where the bulk elastic constants of nematics are calculated from the direct correlation function (DCFs) and the single molecule orientational distribution function [D. A. McQuarrie, Statistical Mechanics (Harper & Row, New York, 1973)]. The latter is obtained from atomistic molecular dynamics trajectories, together with the radial distribution function, from which the DCF is then determined by solving the Ornstein-Zernike equation. The other approach is based on a molecular field theory, where the potential of mean torque experienced by a mesogen in the liquid crystal phase is parameterized according to its molecular surface. In this case, the calculation of elastic constants is combined with the Monte Carlo sampling of single molecule conformations. Using these different approaches, but the same description, at the level of molecular geometry and torsional potentials, we have investigated the elastic properties of the nematic phase of two typical mesogens, 4'-n-pentyloxy-4-cyanobiphenyl and 4'-n-heptyloxy-4-cyanobiphenyl. Both methods yield K3(bend) >K1 (splay) >K2 (twist), although there are some discrepancies in the average elastic constants and in their anisotropy. These are interpreted in terms of the different approximations and the different ways of accounting for the structural properties of molecules in the two approaches. In general, the results point to the role of the molecular shape, which is modulated by the conformational freedom and cannot be fully accounted for by a single descriptor such as the aspect ratio.

  17. Molecular structure and elastic properties of thermotropic liquid crystals: Integrated molecular dynamics—Statistical mechanical theory vs molecular field approach

    NASA Astrophysics Data System (ADS)

    Capar, M. Ilk; Nar, A.; Ferrarini, A.; Frezza, E.; Greco, C.; Zakharov, A. V.; Vakulenko, A. A.

    2013-03-01

    The connection between the molecular structure of liquid crystals and their elastic properties, which control the director deformations relevant for electro-optic applications, remains a challenging objective for theories and computations. Here, we compare two methods that have been proposed to this purpose, both characterized by a detailed molecular level description. One is an integrated molecular dynamics-statistical mechanical approach, where the bulk elastic constants of nematics are calculated from the direct correlation function (DCFs) and the single molecule orientational distribution function [D. A. McQuarrie, Statistical Mechanics (Harper & Row, New York, 1973)]. The latter is obtained from atomistic molecular dynamics trajectories, together with the radial distribution function, from which the DCF is then determined by solving the Ornstein-Zernike equation. The other approach is based on a molecular field theory, where the potential of mean torque experienced by a mesogen in the liquid crystal phase is parameterized according to its molecular surface. In this case, the calculation of elastic constants is combined with the Monte Carlo sampling of single molecule conformations. Using these different approaches, but the same description, at the level of molecular geometry and torsional potentials, we have investigated the elastic properties of the nematic phase of two typical mesogens, 4'-n-pentyloxy-4-cyanobiphenyl and 4'-n-heptyloxy-4-cyanobiphenyl. Both methods yield K3(bend) >K1 (splay) >K2 (twist), although there are some discrepancies in the average elastic constants and in their anisotropy. These are interpreted in terms of the different approximations and the different ways of accounting for the structural properties of molecules in the two approaches. In general, the results point to the role of the molecular shape, which is modulated by the conformational freedom and cannot be fully accounted for by a single descriptor such as the aspect ratio.

  18. Searching for Tidal Disruption Events in Post-Starburst Galaxies

    NASA Astrophysics Data System (ADS)

    Guevel, David; Arcavi, Iair

    2016-06-01

    Tidal Disruption Events (TDEs) are a class of transient phenomena that occur when a star passes sufficiently close to a supermassive black hole (SMBH) to be destroyed by tidal forces. Increasing the number of known TDEs will facilitate the study of SMBHs and black hole accretion physics. Recently it has been shown that TDEs occur most often in quiescent post-starburst galaxies (identified by strong Balmer absorption), some of which are know as "E+A" galaxies. These galaxies may have undergone a merger possibly contributing to the likelihood of TDEs. Using Las Cumbres Observatory Global Telescope (LCOGT) we are conducting a transient survey, called SEATiDE (Searching E+A Galaxies for Tidal Disruption Events), of 100 E+A galaxies. We experiment with different image subtraction techniques to improve our ability of detecting TDE flares in the centers of these galaxies. A future survey will cover an order of magnitude more post-starburst galaxies to measure their TDE rates in more detail with the aim of understanding why TDEs so strongly prefer post-starburst environments.

  19. A more direct measure of supernova rates in starburst galaxies

    NASA Technical Reports Server (NTRS)

    Van Buren, Dave; Greenhouse, Matthew A.

    1994-01-01

    We determine ages for young supernova remnants in the starburst galaxies M82 and NGC 253 by applying Chevalier's model for radio emission from supernova blast waves expanding into the ejecta of their precursor stars. Absolute ages are determined by calibrating the model with radio observations of Cas A. We derive supernova rates of 0.10 and 0.08/yr for M82 and NGC 253, respectively. Assuming L (sub FIR) to be proportional to the supernova rate, we find r(sub SN) approximately equal 2 x 10(exp -12) x L(sub FIR), solar yr(exp -1) for these archetypal starburst galaxies. This approach is unique in that the supernova rate is derived from direct observation of supernova remnants rather than from star formation rates and an assumed initial mass function (IMF). We suggest that the approach presented here can be used to derive star-formation rates that are more directly related to observable quantities than those derived by other methods. We find that the supernova rate, far infrared (FIR) luminosity, and dynamical mass of the M82 starburst place few constraints on the initial mass function (IMF) slope and mass limits.

  20. Connecting molecular structure and exciton diffusion length in rubrene derivatives.

    PubMed

    Mullenbach, Tyler K; McGarry, Kathryn A; Luhman, Wade A; Douglas, Christopher J; Holmes, Russell J

    2013-07-19

    Connecting molecular structure and exciton diffusion length in rubrene derivatives demonstrates how the diffusion length of rubrene can be enhanced through targeted functionalization aiming to enhance self-Förster energy transfer. Functionalization adds steric bulk, forcing the molecules farther apart on average, and leading to increased photoluminescence efficiency. A diffusion length enhancement greater than 50% is realized over unsubstituted rubrene.

  1. Crystal and molecular structure of lancerodiol–p–hydroxybenzoate

    PubMed Central

    Abd El–Razek, Mohamed H.; Hegazy, Mohamed–Elamir F.; Mohamed, Abou El–Hamd H.

    2010-01-01

    Lancerodiol–p–hydroxybenzoate was isolated from the leaves of Ferula sinaica L. (Apiaceae) as light needle crystals. This work reports for the first time the molecular structure and relative configuration of compound 1, established by X-ray analysis. PMID:21808543

  2. Starburst galaxies in the COSMOS field: clumpy star-formation at redshift 0 < z < 0.5

    NASA Astrophysics Data System (ADS)

    Hinojosa-Goñi, R.; Muñoz-Tuñón, C.; Méndez-Abreu, J.

    2016-08-01

    -forming knots in our sample follows the same L(Hα) vs. size scaling relation as local giant HII regions. However, they slightly differ from the one provided using samples at high redshift. This result highlights the importance of spatially resolving the star-forming regions for this kind of study. Star-forming clumps in the central regions of Mknots galaxies are more massive, and present higher star formation rates, than those in the outskirts. This trend is less clear when we consider either the mass surface density or surface star formation rate. Sknot galaxies do show properties similar to both dwarf elliptical and irregulars in the surface brightness (μ) versus Mhost diagram in the B-band, and to spheroidals and ellipticals in the μ versus Mhost diagram in the V-band. Conclusions: The properties of our star-forming knots in Sknot+diffuse and Mknots/clumpy galaxies support the predictions of recent numerical simulations claiming that they have been produced by violent disk instabilities. We suggest that the evolution of these knots means that large and massive clumps at the galaxy centers represent the end product of the coalescence of surviving smaller clumps from the outskirts. Our results support this mechanism and make it unlikely that mergers are the reason behind the observed starburst knots. Sknot galaxies might be transitional phases of the Blue Compact Dwarfs (BCD) class, with their properties consistent with spheroidal-like, but blue structures. Tables 3 and 4 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/592/A122

  3. Rotating Starburst Cores in Massive Galaxies at z = 2.5

    NASA Astrophysics Data System (ADS)

    Tadaki, Ken-ichi; Kodama, Tadayuki; Nelson, Erica J.; Belli, Sirio; Förster Schreiber, Natascha M.; Genzel, Reinhard; Hayashi, Masao; Herrera-Camus, Rodrigo; Koyama, Yusei; Lang, Philipp; Lutz, Dieter; Shimakawa, Rhythm; Tacconi, Linda J.; Übler, Hannah; Wisnioski, Emily; Wuyts, Stijn; Hatsukade, Bunyo; Lippa, Magdalena; Nakanishi, Kouichiro; Ikarashi, Soh; Kohno, Kotaro; Suzuki, Tomoko L.; Tamura, Yoichi; Tanaka, Ichi

    2017-06-01

    We present spatially resolved ALMA observations of the CO J=3-2 emission line in two massive galaxies at z = 2.5 on the star-forming main sequence. Both galaxies have compact dusty star-forming cores with effective radii of {R}{{e}}=1.3+/- 0.1 {kpc} and {R}{{e}}=1.2+/- 0.1 {kpc} in the 870 μm continuum emission. The spatial extent of star-forming molecular gas is also compact with {R}{{e}}=1.9+/- 0.4 {kpc} and {R}{{e}}=2.3+/- 0.4 {kpc}, but more extended than the dust emission. Interpreting the observed position-velocity diagrams with dynamical models, we find the starburst cores to be rotation dominated with the ratio of the maximum rotation velocity to the local velocity dispersion of {v}\\max /{σ }0={7.0}-2.8+2.5 ({v}\\max ={386}-32+36 km s-1) and {v}\\max /{σ }0={4.1}-1.5+1.7 ({v}\\max ={391}-41+54 km s-1). Given that the descendants of these massive galaxies in the local universe are likely ellipticals with v/σ nearly an order of magnitude lower, the rapidly rotating galaxies would lose significant net angular momentum in the intervening time. The comparisons among dynamical, stellar, gas, and dust mass suggest that the starburst CO-to-H2 conversion factor of {α }{CO}=0.8 {M}⊙ (K km s-1 pc-2)-1 is appropriate in the spatially resolved cores. The dense cores are likely to be formed in extreme environments similar to the central regions of local ultraluminous infrared galaxies. Our work also demonstrates that a combination of medium-resolution CO and high-resolution dust continuum observations is a powerful tool for characterizing the dynamical state of molecular gas in distant galaxies.

  4. Extracting Structure Parameters of Dimers for Molecular Tunneling Ionization Model

    NASA Astrophysics Data System (ADS)

    Song-Feng, Zhao; Fang, Huang; Guo-Li, Wang; Xiao-Xin, Zhou

    2016-03-01

    We determine structure parameters of the highest occupied molecular orbital (HOMO) of 27 dimers for the molecular tunneling ionization (so called MO-ADK) model of Tong et al. [Phys. Rev. A 66 (2002) 033402]. The molecular wave functions with correct asymptotic behavior are obtained by solving the time-independent Schrödinger equation with B-spline functions and molecular potentials which are numerically created using the density functional theory. We examine the alignment-dependent tunneling ionization probabilities from MO-ADK model for several molecules by comparing with the molecular strong-field approximation (MO-SFA) calculations. We show the molecular Perelomov-Popov-Terent'ev (MO-PPT) can successfully give the laser wavelength dependence of ionization rates (or probabilities). Based on the MO-PPT model, two diatomic molecules having valence orbital with antibonding systems (i.e., Cl2, Ne2) show strong ionization suppression when compared with their corresponding closest companion atoms. Supported by National Natural Science Foundation of China under Grant Nos. 11164025, 11264036, 11465016, 11364038, the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20116203120001, and the Basic Scientific Research Foundation for Institution of Higher Learning of Gansu Province

  5. Molecular design for growth of supramolecular membranes with hierarchical structure.

    PubMed

    Zha, R Helen; Velichko, Yuri S; Bitton, Ronit; Stupp, Samuel I

    2016-02-07

    Membranes with hierarchical structure exist in biological systems, and bio-inspired building blocks have been used to grow synthetic analogues in the laboratory through self-assembly. The formation of these synthetic membranes is initiated at the interface of two aqueous solutions, one containing cationic peptide amphiphiles (PA) and the other containing the anionic biopolymer hyaluronic acid (HA). The membrane growth process starts within milliseconds of interface formation and continues over much longer timescales to generate robust membranes with supramolecular PA-HA nanofibers oriented orthogonal to the interface. Computer simulation indicates that formation of these hierarchically structured membranes requires strong interactions between molecular components at early time points in order to generate a diffusion barrier between both solutions. Experimental studies using structurally designed PAs confirm simulation results by showing that only PAs with high ζ potential are able to yield hierarchically structured membranes. Furthermore, the chemical structure of such PAs must incorporate residues that form β-sheets, which facilitates self-assembly of long nanofibers. In contrast, PAs that form low aspect ratio nanostructures interact weakly with HA and yield membranes that exhibit non-fibrous fingering protrusions. Furthermore, experimental results show that increasing HA molecular weight decreases the growth rate of orthogonal nanofibers. This result is supported by simulation results suggesting that the thickness of the interfacial contact layer generated immediately after initiation of self-assembly increases with polymer molecular weight.

  6. Molecular, Functional, and Structural Imaging of Major Depressive Disorder.

    PubMed

    Zhang, Kai; Zhu, Yunqi; Zhu, Yuankai; Wu, Shuang; Liu, Hao; Zhang, Wei; Xu, Caiyun; Zhang, Hong; Hayashi, Takuya; Tian, Mei

    2016-06-01

    Major depressive disorder (MDD) is a significant cause of morbidity and mortality worldwide, correlating with genetic susceptibility and environmental risk factors. Molecular, functional, and structural imaging approaches have been increasingly used to detect neurobiological changes, analyze neurochemical correlates, and parse pathophysiological mechanisms underlying MDD. We reviewed recent neuroimaging publications on MDD in terms of molecular, functional, and structural alterations as detected mainly by magnetic resonance imaging (MRI) and positron emission tomography. Altered structure and function of brain regions involved in the cognitive control of affective state have been demonstrated. An abnormal default mode network, as revealed by resting-state functional MRI, is likely associated with aberrant metabolic and serotonergic function revealed by radionuclide imaging. Further multi-modal investigations are essential to clarify the characteristics of the cortical network and serotonergic system associated with behavioral and genetic variations in MDD.

  7. Photoelectron Angular Distribution and Molecular Structure in Multiply Charged Anions

    SciTech Connect

    Xing, Xiaopeng; Wang, Xue B.; Wang, Lai S.

    2009-02-12

    Photoelectrons emitted from multiply charged anions (MCAs) carry information of the intramolecular Coulomb repulsion (ICR), which is dependent on molecular structures. Using photoelectron imaging, we observed the effects of ICR on photoelectron angular distributions (PAD) of the three isomers of benzene dicarboxylate dianions C6H4(CO2)22– (o-, m- and p-BDC2–). Photoelectrons were observed to peak along the laser polarization due to the ICR, but the anisotropy was the largest for p-BDC2–, followed by the m- and o-isomer. The observed anisotropy is related to the direction of the ICR or the detailed molecular structures, suggesting that photoelectron imaging may allow structural information to be obtained for complex multiply charged anions.

  8. MOLVIE: an interactive visualization environment for molecular structures.

    PubMed

    Sun, Huandong; Li, Ming; Xu, Ying

    2003-05-01

    A Molecular visualization interactive environment (MOLVIE), is designed to display three-dimensional (3D) structures of molecules and support the structural analysis and research on proteins. The paper presents the features, design considerations and applications of MOLVIE, especially the new functions used to compare the structures of two molecules and view the partial fragment of a molecule. Being developed in JAVA, MOLVIE is platform-independent. Moreover, it may run on a webpage as an applet for remote users. MOLVIE is available at http://www.cs.ucsb.edu/~mli/Bioinf/software/index.html.

  9. Building bridges between cellular and molecular structural biology.

    PubMed

    Patwardhan, Ardan; Brandt, Robert; Butcher, Sarah J; Collinson, Lucy; Gault, David; Grünewald, Kay; Hecksel, Corey; Huiskonen, Juha T; Iudin, Andrii; Jones, Martin L; Korir, Paul K; Koster, Abraham J; Lagerstedt, Ingvar; Lawson, Catherine L; Mastronarde, David; McCormick, Matthew; Parkinson, Helen; Rosenthal, Peter B; Saalfeld, Stephan; Saibil, Helen R; Sarntivijai, Sirarat; Solanes Valero, Irene; Subramaniam, Sriram; Swedlow, Jason R; Tudose, Ilinca; Winn, Martyn; Kleywegt, Gerard J

    2017-07-06

    The integration of cellular and molecular structural data is key to understanding the function of macromolecular assemblies and complexes in their in vivo context. Here we report on the outcomes of a workshop that discussed how to integrate structural data from a range of public archives. The workshop identified two main priorities: the development of tools and file formats to support segmentation (that is, the decomposition of a three-dimensional volume into regions that can be associated with defined objects), and the development of tools to support the annotation of biological structures.

  10. Molecular and electronic structure of electroactive self-assembled monolayers

    NASA Astrophysics Data System (ADS)

    Méndez De Leo, Lucila P.; de la Llave, Ezequiel; Scherlis, Damián; Williams, Federico J.

    2013-03-01

    Self-assembled monolayers (SAMs) containing electroactive functional groups are excellent model systems for the formation of electronic devices by self-assembly. In particular ferrocene-terminated alkanethiol SAMs have been extensively studied in the past. However, there are still open questions related with their electronic structure including the influence of the ferrocene group in the SAM-induced work function changes of the underlying metal. We have thus carried out a thorough experimental and theoretical investigation in order to determine the molecular and electronic structure of ferrocene-terminated alkanethiol SAMs on Au surfaces. In agreement with previous studies we found that the Fc-containing alkanethiol molecules adsorb forming a thiolate bond with the Au surface with a molecular geometry 30° tilted with respect to the surface normal. Measured surface coverages indicate the formation of a compact monolayer. We found for the first time that the ferrocene group has little influence on the observed work function decrease which is largely determined by the alkanethiol. Furthermore, the ferrocene moiety lies 14 Å above the metal surface covalently bonded to the alkanethiol SAM and its HOMO is located at -1.6 eV below the Fermi level. Our results provide new valuable insight into the molecular and electronic structure of electroactive SAMs which are of fundamental importance in the field of molecular electronics.

  11. Molecular and electronic structure of electroactive self-assembled monolayers.

    PubMed

    Méndez De Leo, Lucila P; de la Llave, Ezequiel; Scherlis, Damián; Williams, Federico J

    2013-03-21

    Self-assembled monolayers (SAMs) containing electroactive functional groups are excellent model systems for the formation of electronic devices by self-assembly. In particular ferrocene-terminated alkanethiol SAMs have been extensively studied in the past. However, there are still open questions related with their electronic structure including the influence of the ferrocene group in the SAM-induced work function changes of the underlying metal. We have thus carried out a thorough experimental and theoretical investigation in order to determine the molecular and electronic structure of ferrocene-terminated alkanethiol SAMs on Au surfaces. In agreement with previous studies we found that the Fc-containing alkanethiol molecules adsorb forming a thiolate bond with the Au surface with a molecular geometry 30° tilted with respect to the surface normal. Measured surface coverages indicate the formation of a compact monolayer. We found for the first time that the ferrocene group has little influence on the observed work function decrease which is largely determined by the alkanethiol. Furthermore, the ferrocene moiety lies 14 Å above the metal surface covalently bonded to the alkanethiol SAM and its HOMO is located at -1.6 eV below the Fermi level. Our results provide new valuable insight into the molecular and electronic structure of electroactive SAMs which are of fundamental importance in the field of molecular electronics.

  12. Cytoskeleton Molecular Motors: Structures and Their Functions in Neuron.

    PubMed

    Xiao, Qingpin; Hu, Xiaohui; Wei, Zhiyi; Tam, Kin Yip

    2016-01-01

    Cells make use of molecular motors to transport small molecules, macromolecules and cellular organelles to target region to execute biological functions, which is utmost important for polarized cells, such as neurons. In particular, cytoskeleton motors play fundamental roles in neuron polarization, extension, shape and neurotransmission. Cytoskeleton motors comprise of myosin, kinesin and cytoplasmic dynein. F-actin filaments act as myosin track, while kinesin and cytoplasmic dynein move on microtubules. Cytoskeleton motors work together to build a highly polarized and regulated system in neuronal cells via different molecular mechanisms and functional regulations. This review discusses the structures and working mechanisms of the cytoskeleton motors in neurons.

  13. On calculating the equilibrium structure of molecular crystals.

    SciTech Connect

    Mattsson, Ann Elisabet; Wixom, Ryan R.; Mattsson, Thomas Kjell Rene

    2010-03-01

    The difficulty of calculating the ambient properties of molecular crystals, such as the explosive PETN, has long hampered much needed computational investigations of these materials. One reason for the shortcomings is that the exchange-correlation functionals available for Density Functional Theory (DFT) based calculations do not correctly describe the weak intermolecular van der Waals' forces present in molecular crystals. However, this weak interaction also poses other challenges for the computational schemes used. We will discuss these issues in the context of calculations of lattice constants and structure of PETN with a number of different functionals, and also discuss if these limitations can be circumvented for studies at non-ambient conditions.

  14. Cytoskeleton Molecular Motors: Structures and Their Functions in Neuron

    PubMed Central

    Xiao, Qingpin; Hu, Xiaohui; Wei, Zhiyi; Tam, Kin Yip

    2016-01-01

    Cells make use of molecular motors to transport small molecules, macromolecules and cellular organelles to target region to execute biological functions, which is utmost important for polarized cells, such as neurons. In particular, cytoskeleton motors play fundamental roles in neuron polarization, extension, shape and neurotransmission. Cytoskeleton motors comprise of myosin, kinesin and cytoplasmic dynein. F-actin filaments act as myosin track, while kinesin and cytoplasmic dynein move on microtubules. Cytoskeleton motors work together to build a highly polarized and regulated system in neuronal cells via different molecular mechanisms and functional regulations. This review discusses the structures and working mechanisms of the cytoskeleton motors in neurons. PMID:27570482

  15. Three-dimensional depth profiling of molecular structures.

    PubMed

    Wucher, A; Cheng, J; Zheng, L; Winograd, N

    2009-04-01

    Molecular time of flight secondary ion mass spectrometry (ToF-SIMS) imaging and cluster ion beam erosion are combined to perform a three-dimensional chemical analysis of molecular films. The resulting dataset allows a number of artifacts inherent in sputter depth profiling to be assessed. These artifacts arise from lateral inhomogeneities of either the erosion rate or the sample itself. Using a test structure based on a trehalose film deposited on Si, we demonstrate that the "local" depth resolution may approach values which are close to the physical limit introduced by the information depth of the (static) ToF-SIMS method itself.

  16. Spatial distribution of GRB and large scale structure of the Universe

    NASA Astrophysics Data System (ADS)

    Bagoly, Zsolt; Racz, Istvan; Gyorgy Balazs, Lajos; Toth, Viktor; Horvath, Istvan

    2015-08-01

    We studied the distribution the starburst galaxies from Millenium XXL database at z=0.82. First we examined the starburst distribution in the classical Millenium I, from the DeLucia (2006) database which used a semi-analytical model for the galaxies genesis. We found a relationship between the starburst galaxies and the dark matter density distribution in Millenium I and we determined the Millenium I and Millenium XXL transformation factor. We simulated a starburst galaxies sample with Markov Chain Monte Carlo method where we used the Metropolis-Hastings algorithm. The connection between the large scale structures homogenous and starburst groups distribution on a defined scale were checked too.

  17. Distribution of Molecules in the Circumnuclear Disk and Surrounding Starburst Ring in the Seyfert Galaxy NGC 1068 Observed with ALMA

    NASA Astrophysics Data System (ADS)

    Takano, S.; Nakajima, T.; Kohno, K.; Harada, N.; Herbst, E.; Tamura, Y.; Izumi, T.; Taniguchi, A.; Tosaki, T.

    2015-12-01

    We report distributions of several molecular transitions including shock and dust related species (13CO and C18O J = 1-0, 13CN N = 1-0, CS J = 2-1, SO JN = 32-21, HNCO JKa,Kc = 50,5-40,4, HC3N J = 11-10, 12-11, CH3OH JK = 2K-1K, and CH3CN JK = 6K-5K) in the nearby Seyfert 2 galaxy NGC 1068 observed with ALMA. The central ˜1' (˜4.3 kpc) of this galaxy was observed in the 100 GHz region with an angular resolution of ˜4" x 2" (290 pc x 140 pc) to study the effects of an active galactic nucleus and its surrounding starburst ring on molecular abundances. We report a classification of molecular distributions into three main categories. Organic molecules such as CH3CN are found to be concentrated in the circumnuclear disk. In the starburst ring, the intensity of methanol at each clumpy region is not consistent with that of 13CO.

  18. FORMALDEHYDE DENSITOMETRY OF STARBURST GALAXIES: DENSITY-INDEPENDENT GLOBAL STAR FORMATION

    SciTech Connect

    Mangum, Jeffrey G.; Darling, Jeremy; Henkel, Christian; Menten, Karl M. E-mail: jdarling@origins.colorado.edu E-mail: kmenten@mpifr-bonn.mpg.de

    2013-04-01

    Accurate techniques that allow for the derivation of the spatial density in star formation regions are rare. A technique that has found application for the derivation of spatial densities in Galactic star formation regions utilizes the density-sensitive properties of the K-doublet transitions of formaldehyde (H{sub 2}CO). In this paper, we present an extension of our survey of the formaldehyde 1{sub 10}-1{sub 11} ({lambda} = 6.2 cm) and 2{sub 11}-2{sub 12} ({lambda} = 2.1 cm) K-doublet transitions of H{sub 2}CO in a sample of 56 starburst systems. We have extended the number of galaxies in which both transitions have been detected from 5 to 13. We have improved our spatial density measurements by incorporating kinetic temperatures based upon NH{sub 3} measurements of 11 of the galaxies with a total of 14 velocity components in our sample. Our spatial density measurements lie in a relatively narrow range from 10{sup 4.5} to 10{sup 5.5} cm{sup -3}. This implies that the Schmidt-Kennicutt relation between L{sub IR} and M{sub dense} (1) is an indication of the dense gas mass reservoir available to form stars and (2) is not directly dependent upon a higher average density driving the star formation process in the most luminous starburst galaxies. We have also used our H{sub 2}CO measurements to derive two separate measures of the dense gas mass which are generally smaller, in many cases by a factor of 10{sup 2}-10{sup 3}, than those derived using HCN. This disparity suggests that H{sub 2}CO traces a denser, more compact component of the giant molecular clouds in our starburst galaxy sample. We also report measurements of the rotationally excited {lambda} = 6.3 cm {sup 2}{Pi}{sub 1/2} J = 1/2 state of OH and the H111{alpha} radio recombination line taken concurrently with our H{sub 2}CO 1{sub 10}-1{sub 11} measurements.

  19. Ab initio molecular crystal structures, spectra, and phase diagrams.

    PubMed

    Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni

    2014-09-16

    Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Møller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling

  20. Molecular structures in the charmonium spectrum: the XYZ puzzle

    NASA Astrophysics Data System (ADS)

    Ortega, P. G.; Entem, D. R.; Fernández, F.

    2013-06-01

    We study in the framework of a constituent quark model the possible contributions of molecular structures to the XYZ charmonium-like states. We analyze simultaneously the c\\bar{c} structures and the possible molecular components in the coupled channel formalism. In the 1++ sector two states appear which could be identified with X(3872) and X(3940). The recently confirmed X(3915) state appears as a mixture of c\\bar{c} and D\\bar{D} components as a JPC = 0++ state in agreement with the new measurements. A second broad resonance which may correspond with the so-called Y(3940) state is found with these quantum numbers. In the JPC = 1-- sector we also found significant contributions of the molecular structures which may affect the phenomenology. In particular the study allows us to understand the G(3900) state recently observed in Belle and BaBar. All these resonances together with the prediction of the model of a c\\bar{c} structure for Z(3930) provide a reasonable scenario for the so-called XYZ states with masses near 3.9 GeV.

  1. Molecular structure in soil humic substances: The new view

    SciTech Connect

    Sutton, Rebecca; Sposito, Garrison

    2005-04-21

    A critical examination of published data obtained primarily from recent nuclear magnetic resonance spectroscopy, X-ray absorption near-edge structure spectroscopy, electrospray ionization-mass spectrometry, and pyrolysis studies reveals an evolving new view of the molecular structure of soil humic substances. According to the new view, humic substances are collections of diverse, relatively low molecular mass components forming dynamic associations stabilized by hydrophobic interactions and hydrogen bonds. These associations are capable of organizing into micellar structures in suitable aqueous environments. Humic components display contrasting molecular motional behavior and may be spatially segregated on a scale of nanometers. Within this new structural context, these components comprise any molecules intimately associated with a humic substance, such that they cannot be separated effectively by chemical or physical methods. Thus biomolecules strongly bound within humic fractions are by definition humic components, a conclusion that necessarily calls into question key biogeochemical pathways traditionally thought to be required for the formation of humic substances. Further research is needed to elucidate the intermolecular interactions that link humic components into supramolecular associations and to establish the pathways by which these associations emerge from the degradation of organic litter.

  2. Enhanced Molecular Mobility of Ordinarily Structured Regions Drives Polyglutamine Disease*

    PubMed Central

    Lupton, Christopher J.; Steer, David L.; Wintrode, Patrick L.; Bottomley, Stephen P.; Hughes, Victoria A.; Ellisdon, Andrew M.

    2015-01-01

    Polyglutamine expansion is a hallmark of nine neurodegenerative diseases, with protein aggregation intrinsically linked to disease progression. Although polyglutamine expansion accelerates protein aggregation, the misfolding process is frequently instigated by flanking domains. For example, polyglutamine expansion in ataxin-3 allosterically triggers the aggregation of the catalytic Josephin domain. The molecular mechanism that underpins this allosteric aggregation trigger remains to be determined. Here, we establish that polyglutamine expansion increases the molecular mobility of two juxtaposed helices critical to ataxin-3 deubiquitinase activity. Within one of these helices, we identified a highly amyloidogenic sequence motif that instigates aggregation and forms the core of the growing fibril. Critically, by mutating residues within this key region, we decrease local structural fluctuations to slow ataxin-3 aggregation. This provides significant insight, down to the molecular level, into how polyglutamine expansion drives aggregation and explains the positive correlation between polyglutamine tract length, protein aggregation, and disease severity. PMID:26260925

  3. Study of the structuring of pure molecular liquids

    NASA Astrophysics Data System (ADS)

    Letamendia, L.; Duplessix, R.; Nouchi, G.; Vaucamps, C.

    Recent experiments have shown that changes in the slope of specific heat variation as a function of temperature in liquids are not always regular. In this study, the authors consider the possibility that fluid structure can change with temperature, by shifting from one form to another. They study such molecular liquids as benzene, hexafluorobenzene, and quinoleine using Rayleigh-Brillouin and depolarized Rayleigh diffusion, and total intensity diffusion. The authors clearly found anomalies for all collective properties of the medium in the liquids studied, though purely molecular properties were undisturbed. The accidents observed occurred at the same temperatures, whatever the collective or intermolecular property under study. But it took some time (several hours) for them to manifest themselves, which suggests that molecular liquids are characterized by a long thermodynamic equilibrium. Results also show a disturbance in hydrodynamic state at accident temperatures, which are similar to those generated by long spatial correlation processes.

  4. Molecular docking and structure-based drug design strategies.

    PubMed

    Ferreira, Leonardo G; Dos Santos, Ricardo N; Oliva, Glaucius; Andricopulo, Adriano D

    2015-07-22

    Pharmaceutical research has successfully incorporated a wealth of molecular modeling methods, within a variety of drug discovery programs, to study complex biological and chemical systems. The integration of computational and experimental strategies has been of great value in the identification and development of novel promising compounds. Broadly used in modern drug design, molecular docking methods explore the ligand conformations adopted within the binding sites of macromolecular targets. This approach also estimates the ligand-receptor binding free energy by evaluating critical phenomena involved in the intermolecular recognition process. Today, as a variety of docking algorithms are available, an understanding of the advantages and limitations of each method is of fundamental importance in the development of effective strategies and the generation of relevant results. The purpose of this review is to examine current molecular docking strategies used in drug discovery and medicinal chemistry, exploring the advances in the field and the role played by the integration of structure- and ligand-based methods.

  5. Solution structures and molecular interactions of selective melanocortin receptor antagonists.

    PubMed

    Lee, Chul-Jin; Yun, Ji-Hye; Lim, Sung-Kil; Lee, Weontae

    2010-12-01

    The solution structures and inter-molecular interaction of the cyclic melanocortin antagonists SHU9119, JKC363, HS014, and HS024 with receptor molecules have been determined by NMR spectroscopy and molecular modeling. While SHU9119 is known as a nonselective antagonist, JKC363, HS014, and HS024 are selective for the melanocortin subtype-4 receptor (MC4R) involved in modulation of food intake. Data from NMR and molecular dynamics suggest that the conformation of the Trp9 sidechain in the three MC4R-selective antagonists is quite different from that of SHU9119. This result strongly supports the concept that the spatial orientation of the hydrophobic aromatic residue is more important for determining selectivity than the presence of a basic, "arginine-like" moiety responsible for biological activity. We propose that the conformation of hydrophobic residues of MCR antagonists is critical for receptor-specific selectivity.

  6. Distributions of molecules in the circumnuclear disk and surrounding starburst ring in the Seyfert galaxy NGC 1068 observed with ALMA

    NASA Astrophysics Data System (ADS)

    Takano, Shuro; Nakajima, Taku; Kohno, Kotaro; Harada, Nanase; Herbst, Eric; Tamura, Yoichi; Izumi, Takuma; Taniguchi, Akio; Tosaki, Tomoka

    2014-07-01

    Sensitive observations with the Atacama Large Millimeter/submillimeter Array (ALMA) allow astronomers to observe the detailed distributions of molecules with relatively weak intensity in nearby galaxies. In particular, we report distributions of several molecular transitions including shock and dust related species (13CO J = 1-0, C18O J = 1-0, 13CN N = 1-0, CS J = 2-1, SO JN = 32-21, HNCO JKa,Kc = 50,5-40,4, HC3N J = 11-10, 12-11, CH3OH JK = 2K-1K, and CH3CN JK = 6K-5K) in the nearby Seyfert 2 galaxy NGC 1068 observed with the ALMA early science program. The central ˜ 1'(˜ 4.3 kpc) of this galaxy was observed in the 100-GHz region covering ˜ 96-100 GHz and ˜ 108-111 GHz with an angular resolution of ˜ 4'' × 2'' (290 pc × 140 pc) to study the effects of an active galactic nucleus and its surrounding starburst ring on molecular abundances. Here, we present images and report a classification of molecular distributions into three main categories: (1) molecules concentrated in the circumnuclear disk (CND) (SO JN = 32-21, HC3N J = 11-10, 12-11, and CH3CN JK = 6K-5K), (2) molecules distributed both in the CND and the starburst ring (CS J = 2-1 and CH3OH JK = 2K-1K), and (3) molecules distributed mainly in the starburst ring (13CO J = 1-0 and C18O J = 1-0). Since most of the molecules such as HC3N observed in the CND are easily dissociated by UV photons and X-rays, our results indicate that these molecules must be effectively shielded. In the starburst ring, the relative intensity of methanol at each clumpy region is not consistent with those of 13CO, C18O, or CS. This difference is probably caused by the unique formation and destruction mechanisms of CH3OH.

  7. Molecular spectroscopy and molecular structure - Selected communications presented at the 1st International Turkish Congress on Molecular Spectroscopy (TURCMOS 2013)

    NASA Astrophysics Data System (ADS)

    Durig, James R.; Fausto, Rui; Ünsalan, Ozan; Bayarı, Sevgi; Kuş, Nihal; Ildız, Gülce Ö.

    2016-01-01

    The First International Turkish Congress on Molecular Spectroscopy (TURCMOS 2013) took place at the Harbiye Cultural Center & Museum, Istanbul, Turkey, September 15-20, 2013. The main aim of the congress was to encourage the exchange of scientific ideas and collaborations all around the world, introduce new techniques and instruments, and discuss recent developments in the field of molecular spectroscopy. Among the different subjects covered, particular emphasis was given to the relevance of spectroscopy to elucidate details of the molecular structure and the chemical and physical behavior of systems ranging from simple molecules to complex biochemical molecules. Besides experimental spectroscopic approaches, related computational and theoretical methods were also considered. In this volume, selected contributions presented at the congress were put together.

  8. Structural and Molecular Modeling Features of P2X Receptors

    PubMed Central

    Alves, Luiz Anastacio; da Silva, João Herminio Martins; Ferreira, Dinarte Neto Moreira; Fidalgo-Neto, Antonio Augusto; Teixeira, Pedro Celso Nogueira; de Souza, Cristina Alves Magalhães; Caffarena, Ernesto Raúl; de Freitas, Mônica Santos

    2014-01-01

    Currently, adenosine 5′-triphosphate (ATP) is recognized as the extracellular messenger that acts through P2 receptors. P2 receptors are divided into two subtypes: P2Y metabotropic receptors and P2X ionotropic receptors, both of which are found in virtually all mammalian cell types studied. Due to the difficulty in studying membrane protein structures by X-ray crystallography or NMR techniques, there is little information about these structures available in the literature. Two structures of the P2X4 receptor in truncated form have been solved by crystallography. Molecular modeling has proven to be an excellent tool for studying ionotropic receptors. Recently, modeling studies carried out on P2X receptors have advanced our knowledge of the P2X receptor structure-function relationships. This review presents a brief history of ion channel structural studies and shows how modeling approaches can be used to address relevant questions about P2X receptors. PMID:24637936

  9. Improving structure-based function prediction using molecular dynamics

    PubMed Central

    Glazer, Dariya S.; Radmer, Randall J.; Altman, Russ B.

    2009-01-01

    Summary The number of molecules with solved three-dimensional structure but unknown function is increasing rapidly. Particularly problematic are novel folds with little detectable similarity to molecules of known function. Experimental assays can determine the functions of such molecules, but are time-consuming and expensive. Computational approaches can identify potential functional sites; however, these approaches generally rely on single static structures and do not use information about dynamics. In fact, structural dynamics can enhance function prediction: we coupled molecular dynamics simulations with structure-based function prediction algorithms that identify Ca2+ binding sites. When applied to 11 challenging proteins, both methods showed substantial improvement in performance, revealing 22 more sites in one case and 12 more in the other, with a modest increase in apparent false positives. Thus, we show that treating molecules as dynamic entities improves the performance of structure-based function prediction methods. PMID:19604472

  10. Structures of polycyclic aromatic hydrocarbon adducts by molecular mechanics and molecular dynamics simulations

    SciTech Connect

    Singh, S.B.

    1992-01-01

    The structures of the adducts of (+)- and (-)trans-7,8,dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydrobenzo (a)pyrene (anti-BPDE) formed by trans addition to N[sup 2] of guanine have been of great interest because the high biological activity of BPDE in mammalian mutagenesis and tumorigenesis has been attributed to the predominant (+)-adduct, while the (-)-adduct is inactive. Molecular mechanics and dynamics calculations have been employed to elucidate the structural difference between this mirror image adduct pair in a duplex dodecamer, d(5' GCGCGCG-(BPDE)CGCGC3') [center dot] d(5'GCGCGCGCGCGC3'). Minimized potential energy calculations using the program DUPLEX were employed to locate starting structures for the dynamics. Three types of structures were found in the energy minimized conformation space searches for each enantiomer: pyrenyl moiety in the minor groove of a Watson-Crick base paired B-DNA duplex, pyrenyl moiety in the major groove of a B-DNA duplex with syn guanine and Hoogsteen base pairs at the modification site, and intercalation type structures. The minor groove structure is energetically preferred for the (+) enantiomer while both minor groove and major groove structures are favored and of comparable energy in the (-) enantiomer. These energy-minimized duplex dodecamers, as well as an unmodified B-DNA control of the same sequence, were subjected to 100 ps molecular dynamics simulations with solvent and salt with the program AMBER. The duplex dodecamer, d(CGCGAATTCGCG)[sub 2], was subjected to a similar simulation using the crystal structure as starting coordinates. Detailed analysis of the dynamic evolution of the conformational and the helical parameters of all the dodecamer simulations were carried out with Molecular Dynamics Analysis Toolchest.

  11. A MULTIWAVELENGTH STUDY ON THE FATE OF IONIZING RADIATION IN LOCAL STARBURSTS

    SciTech Connect

    Hanish, D. J.; Oey, M. S.; Rigby, J. R.; Lee, J. C.; De Mello, D. F.

    2010-12-20

    The fate of ionizing radiation is vital for understanding cosmic ionization, energy budgets in the interstellar and intergalactic medium, and star formation rate indicators. The low observed escape fractions of ionizing radiation have not been adequately explained, and there is evidence that some starbursts have high escape fractions. We examine the spectral energy distributions (SEDs) of a sample of local star-forming galaxies, containing 13 local starburst galaxies and 10 of their ordinary star-forming counterparts, to determine if there exist significant differences in the fate of ionizing radiation in these galaxies. We find that the galaxy-to-galaxy variations in the SEDs are much larger than any systematic differences between starbursts and non-starbursts. For example, we find no significant differences in the total absorption of ionizing radiation by dust, traced by the 24 {mu}m, 70 {mu}m, and 160 {mu}m MIPS bands of the Spitzer Space Telescope, although the dust in starburst galaxies appears to be hotter than that of non-starburst galaxies. We also observe no excess ultraviolet flux in the Galaxy Evolution Explorer bands that could indicate a high escape fraction of ionizing photons in starburst galaxies. The small H{alpha} fractions of the diffuse, warm ionized medium (WIM) in starburst galaxies are apparently due to temporarily boosted H{alpha} luminosity within the star-forming regions themselves, with an independent, constant WIM luminosity. This independence of the WIM and starburst luminosities contrasts with WIM behavior in non-starburst galaxies and underscores our poor understanding of radiation transfer in both ordinary and starburst galaxies.

  12. Molecular Modeling of Nucleic Acid Structure: Electrostatics and Solvation

    PubMed Central

    Bergonzo, Christina; Galindo-Murillo, Rodrigo; Cheatham, Thomas E.

    2014-01-01

    This unit presents an overview of computer simulation techniques as applied to nucleic acid systems, ranging from simple in vacuo molecular modeling techniques to more complete all-atom molecular dynamics treatments that include an explicit representation of the environment. The third in a series of four units, this unit focuses on critical issues in solvation and the treatment of electrostatics. UNITS 7.5 & 7.8 introduced the modeling of nucleic acid structure at the molecular level. This included a discussion of how to generate an initial model, how to evaluate the utility or reliability of a given model, and ultimately how to manipulate this model to better understand the structure, dynamics, and interactions. Subject to an appropriate representation of the energy, such as a specifically parameterized empirical force field, the techniques of minimization and Monte Carlo simulation, as well as molecular dynamics (MD) methods, were introduced as means to sample conformational space for a better understanding of the relevance of a given model. From this discussion, the major limitations with modeling, in general, were highlighted. These are the difficult issues in sampling conformational space effectively—the multiple minima or conformational sampling problems—and accurately representing the underlying energy of interaction. In order to provide a realistic model of the underlying energetics for nucleic acids in their native environments, it is crucial to include some representation of solvation (by water) and also to properly treat the electrostatic interactions. These are discussed in detail in this unit. PMID:18428877

  13. Molecular modeling of nucleic Acid structure: electrostatics and solvation.

    PubMed

    Bergonzo, Christina; Galindo-Murillo, Rodrigo; Cheatham, Thomas E

    2014-12-19

    This unit presents an overview of computer simulation techniques as applied to nucleic acid systems, ranging from simple in vacuo molecular modeling techniques to more complete all-atom molecular dynamics treatments that include an explicit representation of the environment. The third in a series of four units, this unit focuses on critical issues in solvation and the treatment of electrostatics. UNITS 7.5 & 7.8 introduced the modeling of nucleic acid structure at the molecular level. This included a discussion of how to generate an initial model, how to evaluate the utility or reliability of a given model, and ultimately how to manipulate this model to better understand its structure, dynamics, and interactions. Subject to an appropriate representation of the energy, such as a specifically parameterized empirical force field, the techniques of minimization and Monte Carlo simulation, as well as molecular dynamics (MD) methods, were introduced as a way of sampling conformational space for a better understanding of the relevance of a given model. This discussion highlighted the major limitations with modeling in general. When sampling conformational space effectively, difficult issues are encountered, such as multiple minima or conformational sampling problems, and accurately representing the underlying energy of interaction. In order to provide a realistic model of the underlying energetics for nucleic acids in their native environments, it is crucial to include some representation of solvation (by water) and also to properly treat the electrostatic interactions. These subjects are discussed in detail in this unit. Copyright © 2014 John Wiley & Sons, Inc.

  14. Dense gas in nearby galaxies. XVI. The nuclear starburst environment in NGC 4945

    NASA Astrophysics Data System (ADS)

    Wang, M.; Henkel, C.; Chin, Y.-N.; Whiteoak, J. B.; Hunt Cunningham, M.; Mauersberger, R.; Muders, D.

    2004-08-01

    A multi-line millimeter-wave study of the nearby starburst galaxy NGC 4945 has been carried out using the Swedish-ESO Submillimeter Telescope (SEST). The study covers the frequency range from 82 GHz to 354 GHz and includes 80 transitions of 19 molecules. 1.3 mm continuum data of the nuclear source are also presented. An analysis of CO and 1.3 mm continuum fluxes indicates that the conversion factor between H2 column density and CO J=1-0 integrated intensity is smaller than in the galactic disk by factors of 5-10. A large number of molecular species indicate the presence of a prominent high density interstellar gas component characterized by nH_2˜ 105 cm-3. Some spectra show Gaussian profiles. Others exhibit two main velocity components, one at ˜450 km s-1, the other at ˜710 km s-1. While the gas in the former component has a higher linewidth, the latter component arises from gas that is more highly excited as is indicated by HCN, HCO+ and CN spectra. Abundances of molecular species are calculated and compared with abundances observed toward the starburst galaxies NGC 253 and M 82 and galactic sources. Apparent is an ``overabundance'' of HNC in the nuclear environment of NGC 4945. While the HNC/HCN J=1-0 line intensity ratio is ˜0.5, the HNC/HCN abundance ratio is ˜1. From a comparison of Ka=0 and 1 HNCO line intensities, an upper limit to the background radiation of 30 K is derived. While HCN is subthermally excited (Tex˜8 K), CN is even less excited (Tex˜3-4 K), indicating that it arises from a less dense gas component and that its N=2-1 line can be optically thin even though its N=1-0 emission is moderately optically thick. Overall, fractional abundances of NGC 4945 suggest that the starburst has reached a stage of evolution that is intermediate between those observed in NGC 253 and M 82. Carbon, nitrogen, oxygen and sulfur isotope ratios are also determined. Within the limits of uncertainty, carbon and oxygen isotope ratios appear to be the same in the

  15. The essential signature of a massive starburst in a distant quasar.

    PubMed

    Solomon, P; Vanden Bout, P; Carilli, C; Guelin, M

    2003-12-11

    Observations of carbon monoxide emission in high-redshift (zeta > 2) galaxies indicate the presence of large amounts of molecular gas. Many of these galaxies contain an active galactic nucleus powered by accretion of gas onto a supermassive black hole, and a key question is whether their extremely high infrared luminosities result from the active galactic nucleus, from bursts of massive star formation (associated with the molecular gas), or both. In the Milky Way, high-mass stars form in the dense cores of interstellar molecular clouds, where gas densities are n(H2) > 10(5) cm(-3) (refs 1, 2). Recent surveys show that virtually all galactic sites of high-mass star formation have similarly high densities. The bulk of the cloud material traced by CO observations, however, is at a much lower density. For galaxies in the local Universe, the HCN molecule is an effective tracer of high-density molecular gas. Here we report observations of HCN emission from the infrared-luminous 'Cloverleaf' quasar (at a redshift zeta = 2.5579). The HCN line luminosity indicates the presence of 10 billion solar masses of very dense gas, an essential feature of an immense starburst, which contributes, together with the active galactic nucleus it harbours, to its high infrared luminosity.

  16. Molecular modelling of miraculin: Structural analyses and functional hypotheses.

    PubMed

    Paladino, Antonella; Costantini, Susan; Colonna, Giovanni; Facchiano, Angelo M

    2008-02-29

    Miraculin is a plant protein that displays the peculiar property of modifying taste by swiching sour into a sweet taste. Its monomer is flavourless at all pH as well as at high concentration; the dimer form elicits its taste-modifying activity at acidic pH; a tetrameric form is also reported as active. Two histidine residues, located in exposed regions, are the main responsible of miraculin activity, as demonstrated by mutagenesis studies. Since structural data of miraculin are not available, we have predicted its three-dimensional structure and simulated both its dimer and tetramer forms by comparative modelling and molecular docking techniques. Finally, molecular dynamics simulations at different pH conditions have indicated that at acidic pH the dimer assumes a widely open conformation, in agreement with the hypotheses coming from other studies.

  17. Molecular solutes in ionic liquids: a structural perspective.

    PubMed

    Pádua, Agílio A H; Costa Gomes, Margarida F; Canongia Lopes, José N A

    2007-11-01

    Understanding physicochemical properties of ionic liquids is important for their rational use in extractions, reactions, and other applications. Ionic liquids are not simple fluids: their ions are generally asymetric, flexible, with delocalized electrostatic charges, and available in a wide variety. It is difficult to capture their subtle properties with models that are too simplistic. Molecular simulation using atomistic force fields, which describe structures and interactions in detail, is an excellent tool to gain insights into their liquid-state organization, how they solvate different compounds, and what molecular factors determine their properties. The identification of certain ionic liquids as self-organized phases, with aggregated nonpolar and charged domains, provides a new way to interpret the solvation and structure of their mixtures. Many advances are the result of a successful interplay between experiment and modeling, possible in this field where none of the two methodologies had a previous advance.

  18. Toxicological implications of esterases-From molecular structures to functions

    SciTech Connect

    Satoh, Tetsuo . E-mail: satohbri@peach.ifnet.or.jp

    2005-09-01

    This article reports on a keynote lecture at the 10th International Congress of Toxicology sponsored by the International Union of Toxicology and held on July 2004. Current developments in molecular-based studies into the structure and function of cholinesterases, carboxylesterases, and paraoxonases are described. This article covers mechanisms of regulation of gene expression of the various esterases by developmental factors and xenobiotics, as well as the interplay between physiological and chemical regulation of the enzyme activity.

  19. Rattlesnake Neurotoxin Structure, Mechanism of Action, Immunology and Molecular Biology

    DTIC Science & Technology

    1990-09-01

    from the venom of the midget faded . rattlesnake (Crotalus viridis concolor . Toxicon 2&, 319- 323. Rehm, H. and Betz, H. (1982) Binding of B...8217determined. It was shown to have great similarity to the basic subunits of related toxins from the venoms of the South American and midget faded ...AD-A228 003 CONTRACT NO.: DAMD17-89-C-9007 TITLE: RATTLESNAKE NEUROTOXIN STRUCTURE, MECHANISM OF ACTION, IMMUNOLOGY AND MOLECULAR BIOLOGY PRINCIPAL

  20. Anatomy of Starbursts in Extragalactic Giant HII Regions: M51 Case Study

    NASA Astrophysics Data System (ADS)

    Evans, Jessica Marie; Chu, You-Hua

    2013-03-01

    Extragalactic giant HII regions (EGHRs) are sites of active, concentrated star formation, and thus provide excellent labs to analyze the starburst phenomenon. Although they have been known for a long time, ground-based observations cannot resolve the physical structures and stellar content of EGHRs. The high resolution and sensitivity of Hubble Space Telescope (HST) are ideal for detailed studies of EGHRs. We have searched the Hubble Legacy Archives (HLA) and found 17 nearby galaxies, within ˜15 Mpc, with Hα and continuum images; to determine the best methods for analyzing these data, we perform an in-depth analysis of the EGHRs in M51. M51 is a face-on spiral galaxy ˜8.4 Mpc away, with well-resolved multi-wavelength observations in the HLA. We sample the 25 most luminous HII regions in M51, many of which are bonafide EGHRs with an H-alpha luminosity > 1039 ergs s-1. We use the Hα image to study the distribution and physical structure of the gas in each HII region and determine its Hα luminosity and required ionizing flux. We use the continuum images to determine whether super stellar clusters (SSCs) are found in these HII regions, and use photometric measurements to determine the mass and age spread of the resolved stellar population. These are then compared with the interstellar structures. The results help us provide the groundwork for studying EGHRs in multiple galaxies and elucidate the starburst phenomenon by investigating questions such as: What role does environment play in the formation of EGHRs? How do EGHRs evolve? How does star formation proceed in an EGHR?

  1. The mid-infrared appearance of the galactic mini-starburst W49A

    SciTech Connect

    Stock, D. J.; Peeters, E.; Choi, W. D.-Y.; Shannon, M. J.

    2014-08-20

    The massive star-forming region W49A represents one of the largest complexes of massive star formation present in the Milky Way and contains at least 50 young massive stars still enshrouded in their natal molecular cloud. We employ Spitzer/Infrared Spectrometer spectral mapping observations of the northern part of W49A to investigate the mid-infrared (MIR) spatial appearance of the polycyclic aromatic hydrocarbon (PAH) bands, PAH plateau features, atomic lines, and continuum emission. We examine the spatial variations of the MIR emission components in slices through two of the ultra-compact-H II (UC-H II) regions. We find that the PAH bands reproduce known trends, with the caveat that the 6.2 μm PAH band seems to decouple from the other ionized PAH bands in some of the UC-H II regions—an effect previously observed only in one other object: the giant star forming region N66 in the Large Magellanic Cloud. Furthermore, we compare the nature of the emission surrounding W49A to that of 'diffuse' sightlines. It is found that the surrounding emission can be explained by line of sight emission and does not represent true 'diffuse' material. Additionally, we examine the MIR appearance of star formation on various scales from UC-H II regions to starburst galaxies, including a discussion of the fraction of PAH emission in the 8 μm IRAC filter. We find that the MIR appearance of W49A is that of a starburst on large scales, yet its individual components are consistent with other galactic H II regions.

  2. How does star formation proceed in the circumnuclear starburst ring of NGC 6951?

    NASA Astrophysics Data System (ADS)

    van der Laan, T. P. R.; Schinnerer, E.; Emsellem, E.; Hunt, L. K.; McDermid, R. M.; Liu, G.

    2013-03-01

    Gas inflowing along stellar bars is often stalled at the location of circumnuclear rings, which form an effective reservoir for massive star formation and thus shape the central regions of galaxies. However, how exactly star formation proceeds within these circumnuclear starburst rings is the subject of debate. Two main scenarios for this process have been put forward. In the first, the onset of star formation is regulated by the total amount of gas present in the ring with star forming starting, once a mass threshold has been reached, in "random" positions within the ring like "popcorn". In the second, star formation primarily takes place near the locations where the gas enters the ring. This scenario has been dubbed "pearls-on-a-string". Here we combine new optical IFU data covering the full stellar bar with existing multiwavelength data to study the 580 pc radius circumnuclear starburst ring in detail in the nearby spiral galaxy NGC 6951. Using Hubble Space Telescope (HST) archival data together with SAURON and OASIS IFU data, we derive the ages and stellar masses of star clusters, as well as the total stellar content of the central region. Adding information on the molecular gas distribution, stellar and gaseous dynamics, and extinction, we find that the circumnuclear ring in NGC 6951 is ~1-1.5 Gyr old and has been forming stars for most of that time. We see evidence for preferred sites of star formation within the ring, consistent with the "pearls-on-a-string" scenario, when focusing on the youngest stellar populations. The ring's longevity means that this signature is washed out when older stellar populations are included in the analysis. Tables 4 and 5 are available in electronic form at http://www.aanda.orgOASIS maps and SAURON cube are available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr(130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/551/A81

  3. Optimization techniques in molecular structure and function elucidation.

    PubMed

    Sahinidis, Nikolaos V

    2009-12-01

    This paper discusses recent optimization approaches to the protein side-chain prediction problem, protein structural alignment, and molecular structure determination from X-ray diffraction measurements. The machinery employed to solve these problems has included algorithms from linear programming, dynamic programming, combinatorial optimization, and mixed-integer nonlinear programming. Many of these problems are purely continuous in nature. Yet, to this date, they have been approached mostly via combinatorial optimization algorithms that are applied to discrete approximations. The main purpose of the paper is to offer an introduction and motivate further systems approaches to these problems.

  4. Nanoparticle Probes for Structural and Functional Photoacoustic Molecular Tomography

    PubMed Central

    Chen, Haobin; Yuan, Zhen; Wu, Changfeng

    2015-01-01

    Nowadays, nanoparticle probes have received extensive attention largely due to its potential biomedical applications in structural, functional, and molecular imaging. In addition, photoacoustic tomography (PAT), a method based on the photoacoustic effect, is widely recognized as a robust modality to evaluate the structure and function of biological tissues with high optical contrast and high acoustic resolution. The combination of PAT with nanoparticle probes holds promises for detecting and imaging diseased tissues or monitoring their treatments with high sensitivity. This review will introduce the recent advances in the emerging field of nanoparticle probes and their preclinical applications in PAT, as well as relevant perspectives on future development. PMID:26609534

  5. FilFinder: Filamentary structure in molecular clouds

    NASA Astrophysics Data System (ADS)

    Koch, Eric W.; Rosolowsky, Erik W.

    2016-08-01

    FilFinder extracts and analyzes filamentary structure in molecular clouds. In particular, it is capable of uniformly extracting structure over a large dynamical range in intensity. It returns the main filament properties: local amplitude and background, width, length, orientation and curvature. FilFinder offers additional tools to, for example, create a filament-only image based on the properties of the radial fits. The resulting mask and skeletons may be saved in FITS format, and property tables may be saved as a CSV, FITS or LaTeX table.

  6. State of the gas in intense lensed starbursts

    NASA Astrophysics Data System (ADS)

    George, Richard David

    2015-11-01

    The most intensely star-forming galaxies lie at z ˜ 2 and are thought to be the progenitors of the most massive galaxies today, yet study of this important population has been hampered by vast quantities of dust, making them almost invisible in the optical and ultraviolet (UV) regimes, and by the low sensitivity and angular resolution of many infrared (IR) facilities. Chapter 2 describes the use of the flux and angular extent boost provided by strong gravitational lensing in the detailed study of individual high-redshift dusty star-forming galaxies (DSFGs). The low number density of such systems has been overcome by recent wide area far-infrared (FIR)-mm surveys, and a sample of candidate systems which are bright enough to study with single-dish FIR telescopes are assembled from these surveys. The chapter further describes spectra of these galaxies obtained using the the Spectral and Photometric Imaging REceiver (SPIRE; Griffin et al. 2010) Fourier transform spectrometer (FTS) on board the Herschel Space Observatory (Pilbratt et al. 2010), exploiting the increased flux densities to search for FIR atomic and ionic spectral lines: important coolants of warm gas surrounding star-formation regions. Chapter 3 describes the first "blind" redshift obtained using Herschel, via the detection of [C II] 158 μm in one of our spectra. Confirmation of this redshift was provided by detection of CO lines with the Combined Array for Research in Millimeter-wave Astronomy (CARMA) and the Plateau de Bure Interferometer (PdBI), and along with multi-wavelength photometric follow-up, allowed a characterisation of the galaxy, indicating both a merger-driven starburst and an active galactic nucleus (AGN) within the system. Chapter 4 describes the first detection of a massive outflow of molecular gas at high-redshift. Stacking five repeat spectra of the Cosmic Eyelash, one of the best-studied strongly lensed DSFGs, one of the massive star-forming clumps is shown to drive this outflow

  7. Structural Modeling and Molecular Dynamics Simulation of the Actin Filament

    SciTech Connect

    Splettstoesser, Thomas; Holmes, Kenneth; Noe, Frank; Smith, Jeremy C

    2011-01-01

    Actin is a major structural protein of the eukaryotic cytoskeleton and enables cell motility. Here, we present a model of the actin filament (F-actin) that not only incorporates the global structure of the recently published model by Oda et al. but also conserves internal stereochemistry. A comparison is made using molecular dynamics simulation of the model with other recent F-actin models. A number of structural determents such as the protomer propeller angle, the number of hydrogen bonds, and the structural variation among the protomers are analyzed. The MD comparison is found to reflect the evolution in quality of actin models over the last 6 years. In addition, simulations of the model are carried out in states with both ADP or ATP bound and local hydrogen-bonding differences characterized.

  8. A multiwavelength study of the starburst galaxy NGC 7771

    NASA Astrophysics Data System (ADS)

    Davies, Richard I.; Alonso-Herrero, Almudena; Ward, Martin J.

    1997-11-01

    We present a multiwavelength study of the interacting starburst galaxy NGC 7771, including new optical and ultraviolet spectra and a previously unpublished soft X-ray ROSAT image and spectrum. The FIR, radio, and X-ray fluxes suggest that a massive burst of star formation is currently in progress, but the small equivalent width of the Balmer emission lines, the weak UV flux, the low abundance of ionized oxygen, and the shape of the optical spectrum lead us to conclude that there are few O stars. This might normally suggest that star formation has ceased, but the barred gravitational potential and large gas reserves of the galaxy imply that this should not be so, and we therefore consider other explanations. We argue that the observations cannot be due to effects of geometry, density-bounded nebulae, or dust within the nebulae, and conclude that a truncated IMF is required. The dwarf galaxy NGC 7770 appears to be in the initial stages of a merger with NGC 7771, and the resulting tidal perturbations may have induced the apparent two-armed spiral pattern, and driven a substantial fraction of the disk gas inwards. The presence of a bulge in NGC 7771 may be moderating the starburst so that, while still occurring on a large scale with a supernova rate of 0.8-1/yr, it is less violent and the IMF has a relatively low upper mass limit. We find that there is a cluster of stars obscuring part of the starburst region, and we offer an explanation of its origin.

  9. A Multiwavelength Study of the Starburst Galaxy NGC 7771

    NASA Astrophysics Data System (ADS)

    Davies, Richard I.; Alonso-Herrero, Almudena; Ward, Martin J.

    1997-01-01

    We present a multiwavelength study of the interacting starburst galaxy NGC 7771, including new optical and ultra-violet spectra and a previously unpublished soft X-ray ROSAT image and spectrum. The far-infrared, radio, and X-ray fluxes suggest that a massive burst of star-formation is currently in progress but the small equivalent width of the Balmer emission lines (equivalent width H(alpha approximately equals 100 A), the weak UV flux, the low abundance of ionised oxygen, and the shape of the optical spectrum lead us to conclude that there are few 0 stars. This might normally suggest that star-formation has ceased but the galaxy's barred gravitational potential and large gas reserves imply that this should not be so, and we therefore consider other explanations. We argue that the observations cannot be due to effects of geometry, density bounded nebulae, or dust within the nebulae, and conclude that a truncated IMF is required. The dwarf galaxy NGC 7770 appears to be in the initial stages of a merger with NGC 7771, and the resulting tidal perturbations may have induced the apparent two-armed spiral pattern, and driven a substantial fraction of the disk gas inwards. The presence of a bulge in NGC 7771 may be moderating the starburst so that, while still occuring on a large scale with a supernova rate of 0.8-1/yr, it is less violent and the IMF has a relatively low upper mass limit. We find that there is a cluster of stars obscuring part of the starburst region, and we offer an explanation of its origin.

  10. Normal and Starburst Galaxies in Deep X-ray Surveys

    NASA Technical Reports Server (NTRS)

    Hornschemeier, Ann

    2006-01-01

    This talk will cover progress of the last several years in unraveling the nature of normal and starburst galaxies in deep X-ray surveys. This includes discussion of the normal galaxy X-ray Luminosity Function in deep field and cluster surveys and what it tells us about the binary populations in galaxies. The utility of broad band X-ray emission, especially as compared to other multiwavelength measurements of current/recent star formation, will be reviewed. These broad band X-ray measurements of star formation are based upon X-ray/Star Formation Rate correlations that span the currently available redshift range (0 < z < 1). I will also discuss new efforts underway to systematically characterize the X-ray emission from galaxies in group and cluster environments, including a new effort underway in the Coma cluster of galaxies. I will finish with discussion of the redshift frontier for studies of X-ray star formation, currently 2 approx.4, where the UV-selected Lyman Break galaxies are the best glimpse we have into X-ray emission from star formation in the early Universe. Lyman Break galaxies are of particular interest due to the overlap in basic properties with starburst galaxies in the more local Universe. Understanding the outflows in such starburst galaxies is of critical importance to constraining the "stellar" portion of cosmic feedback. The talk will close with a brief discussion of distant normal galaxy science with future X-ray observatories such as the upcoming Con-X/XEUS mission(s).

  11. Starburst-driven Galactic Superbubbles Radiating to 10 K

    NASA Astrophysics Data System (ADS)

    Tanner, Ryan; Cecil, Gerald; Heitsch, Fabian

    2016-04-01

    Our three-dimensional hydrodynamical simulations of starbursts examine the formation of superbubbles over a range of driving luminosities and mass loadings that determine superbubble growth and wind velocity. From this we determine the relationship between the velocity of a galactic wind (GW) and the power of the starburst. We find a threshold for the formation of a wind, above which the speed of the wind is not affected by grid resolution or the temperature floor of our radiative cooling. We investigate the effect that two different temperature floors in our radiative cooling prescription have on wind kinematics and content. We find that cooling to 10 K instead of to 104 K increases the mass fraction of cold neutral and hot X-ray gas in the GW, while halving that in warm Hα. Our simulations show that the mass of cold gas transported into the lower halo does not depend on the starburst strength. Optically bright filaments form at the edge of merging superbubbles, or where a cold dense cloud has been disrupted by the wind. Filaments formed by merging superbubbles will persist and grow to \\gt 400 pc in length if anchored to a star forming complex. Filaments embedded in the hot GW contain warm and cold gas that moves 300-1200 km s-1 slower than the surrounding wind, with the coldest gas hardly moving with respect to the Galaxy. Warm and cold matter in the GW show asymmetric absorption profiles consistent with observations, with a thin tail up to the wind velocity.

  12. THE RADIO–GAMMA CORRELATION IN STARBURST GALAXIES

    SciTech Connect

    Eichmann, B.; Tjus, J. Becker

    2016-04-20

    We present a systematic study of non-thermal electron–proton plasma and its emission processes in starburst galaxies in order to explain the correlation between the luminosity in the radio band and the recently observed gamma luminosity. In doing so, a steady state description of the cosmic-ray (CR) electrons and protons within the spatially homogeneous starburst is considered where continuous momentum losses are included as well as catastrophic losses due to diffusion and advection. The primary source of the relativistic CRs, e.g., supernova remnants, provides a quasi-neutral plasma with a power-law spectrum in momentum where we account for rigidity-dependent differences between the electron and proton spectrum. We examine the resulting leptonic and hadronic radiation processes by synchrotron radiation, inverse Compton scattering, Bremsstrahlung, and hadronic pion production. Finally, the observations of NGC 253, M82, NGC 4945, and NGC 1068 in the radio and gamma-ray bands as well as the observed supernova rate are used to constrain a best-fit model. In the case of NGC 253, M82, and NGC 4945 our model is able to accurately describe the data, showing that: (i) supernovae are the dominant particle accelerators for NGC 253, M82, and NGC 4945, but not for NGC 1068; (ii) all considered starburst galaxies are poor proton calorimeters in which for NGC 253 the escape is predominantly driven by the galactic wind, whereas the diffusive escape dominates in NGC 4945 and M82 (at energies >1 TeV); and (iii) secondary electrons from hadronic pion production are important to model the radio flux, but the associated neutrino flux is below the current observation limit.

  13. A Multiwavelength Study of the Starburst Galaxy NGC 7771

    NASA Technical Reports Server (NTRS)

    Davies, Richard I.; Alonso-Herrero, Almudena; Ward, Martin J.

    1997-01-01

    We present a multiwavelength study of the interacting starburst galaxy NGC 7771, including new optical and ultra-violet spectra and a previously unpublished soft X-ray ROSAT image and spectrum. The far-infrared, radio, and X-ray fluxes suggest that a massive burst of star-formation is currently in progress but the small equivalent width of the Balmer emission lines (equivalent width H(alpha approximately equals 100 A), the weak UV flux, the low abundance of ionised oxygen, and the shape of the optical spectrum lead us to conclude that there are few 0 stars. This might normally suggest that star-formation has ceased but the galaxy's barred gravitational potential and large gas reserves imply that this should not be so, and we therefore consider other explanations. We argue that the observations cannot be due to effects of geometry, density bounded nebulae, or dust within the nebulae, and conclude that a truncated IMF is required. The dwarf galaxy NGC 7770 appears to be in the initial stages of a merger with NGC 7771, and the resulting tidal perturbations may have induced the apparent two-armed spiral pattern, and driven a substantial fraction of the disk gas inwards. The presence of a bulge in NGC 7771 may be moderating the starburst so that, while still occuring on a large scale with a supernova rate of 0.8-1/yr, it is less violent and the IMF has a relatively low upper mass limit. We find that there is a cluster of stars obscuring part of the starburst region, and we offer an explanation of its origin.

  14. The Seyfert-Starburst Connection in X-rays. 2; Results and Implications

    NASA Technical Reports Server (NTRS)

    Levenson, N. A.; Weaver, K. A.; Heckman, T. M.; White, Nicholas E. (Technical Monitor)

    2001-01-01

    We present the results of X-ray imaging and spectroscopic analysis of a sample of Seyfert 2 galaxies that contain starbursts, based on their optical and UV characteristics. These composite galaxies exhibit extended, soft, thermal X-ray emission, which we attribute to their starburst components. Comparing their X-ray and far-infrared properties with ordinary Seyfert and starburst galaxies, we identify the spectral characteristics of their various intrinsic emission sources. The observed far-infrared emission of the composite galaxies may be associated almost exclusively with star formation, rather than the active nucleus. The ratio of the hard X-ray luminosity to the far-infrared and [O III] (lambda)5007 luminosity distinguishes most of these composite galaxies from "pure" Seyfert 2 galaxies, while their total observed hard X-ray luminosity distinguishes them from "pure" starbursts. The hard nuclear X-ray source is generally heavily absorbed (N(sub H) greater than 10(exp 23)/sq cm) in the composite galaxies. Based on these results, we suggest that the interstellar medium of the nuclear starburst is a significant source of absorption. The majority of the sample are located in groups or are interacting with other galaxies, which may trigger the starburst or allow rapid mass infall to the central black hole or both. We conclude that starbursts are energetically important in a significant fraction of active galaxies and that starbursts and active galactic nuclei may be part of a common evolutionary sequence.

  15. Molecular structures of amyloid and prion fibrils: consensus versus controversy.

    PubMed

    Tycko, Robert; Wickner, Reed B

    2013-07-16

    Many peptides and proteins self-assemble into amyloid fibrils. Examples include mammalian and fungal prion proteins, polypeptides associated with human amyloid diseases, and proteins that may have biologically functional amyloid states. To understand the propensity for polypeptides to form amyloid fibrils and to facilitate rational design of amyloid inhibitors and imaging agents, it is necessary to elucidate the molecular structures of these fibrils. Although fibril structures were largely mysterious 15 years ago, a considerable body of reliable structural information about amyloid fibril structures now exists, with essential contributions from solid state nuclear magnetic resonance (NMR) measurements. This Account reviews results from our laboratories and discusses several structural issues that have been controversial. In many cases, the amino acid sequences of amyloid fibrils do not uniquely determine their molecular structures. Self-propagating, molecular-level polymorphism complicates the structure determination problem and can lead to apparent disagreements between results from different laboratories, particularly when different laboratories study different polymorphs. For 40-residue β-amyloid (Aβ₁₋₄₀) fibrils associated with Alzheimer's disease, we have developed detailed structural models from solid state NMR and electron microscopy data for two polymorphs. These polymorphs have similar peptide conformations, identical in-register parallel β-sheet organizations, but different overall symmetry. Other polymorphs have also been partially characterized by solid state NMR and appear to have similar structures. In contrast, cryo-electron microscopy studies that use significantly different fibril growth conditions have identified structures that appear (at low resolution) to be different from those examined by solid state NMR. Based on solid state NMR and electron paramagnetic resonance (EPR) measurements, the in-register parallel β-sheet organization

  16. The multifrequency spectrum of the starburst galaxy NGC 2782

    NASA Technical Reports Server (NTRS)

    Kinney, A. L.; Bregman, J. N.; Huggins, P. J.; Glassgold, A. E.; Cohen, R. D.

    1984-01-01

    The nuclear region of NGC 2782 has been observed at radio, millimeter, infrared, optical, ultraviolet, and X-ray frequencies to understand the ionization source that gives rise to the narrow emission lines. The continuum is probably caused by a normal galactic population plus considerable numbers of young stars and warm dust. In the ultraviolet and optical spectra, which are powerful diagnostics, no strong lines are detected in the 1200 A-3200 A region aside from L-alpha, and the optical emission lines cover only a narrow ionization range. The line and continuum properties suggest that NGC 2782 is a starburst galaxy, in which young stars photoionize the surrounding gas.

  17. Multi-Wavelength Observations of Nearby Starburst Galaxies

    NASA Astrophysics Data System (ADS)

    Johnson, Kelsey; Lee, Janice

    Do cycles of violent, intense, but short-lived bursts constitute a significant mode of global starformation in present-day galaxies? Such events can have a profound effect on galaxies, particularly those with shallowpotential wells, and observational measures of their prevalence inform our understanding of a wide range of issues ingalaxy evolution. I will highlight what we have learned about starbursts from multi-wavelength observations of galaxiesin the local volume on both galactic and smaller scales, and explore how connections with the study of the deaths ofmassive stars may further our understanding of open issues in galaxy evolution.

  18. Multi-Wavelength Observations of Nearby Starburst Galaxies

    NASA Astrophysics Data System (ADS)

    Lee, Janice

    2015-08-01

    Do cycles of violent, intense, but short-lived bursts constitute a significant mode of global star formation in present-day galaxies? Such events can have a profound effect on galaxies, particularly those with shallow potential wells, and observational measures of their prevalence inform our understanding of a wide range of issues in galaxy evolution. I will highlight what we have learned about starbursts from multi-wavelength observations of galaxies in the local volume on both galactic and smaller scales, and explore how connections with the study of the deaths of massive stars may further our understanding of open issues in galaxy evolution.

  19. Search for Supernovae in Starburst Galaxies with HAWK-I

    NASA Astrophysics Data System (ADS)

    Miluzio, M.

    2014-03-01

    With the aim of testing the relation between supernova (SN) rate and star formation rate, we conducted a SN search in a sample of local starburst galaxies (SBs) where both star formation rates and extinction are extremely high. The search was performed in the near-infrared, where the bias due to extinction is reduced using HAWK-I on the VLT. We discovered six SNe, in excellent agreement with expectations, when considering that, even in our search, about 60% of events remain hidden in the nuclear regions due to a combination of reduced search efficiency and very high extinction.

  20. Astrophysics of Feedback in local AGN and Starbursts

    NASA Astrophysics Data System (ADS)

    Ponti, Gabriele; Ptak, Andrew; Tsuru, Takeshi Go; Members of SWAG2. 3

    2015-09-01

    Accretion onto supermassive black holes at the centre of many galaxies can generate radiation, jets and winds powerful enough to modify the properties of the interstellar medium and of the galactic star formation. Ultimately, in a process called feedback, this can influence the rate of gas accretion onto the supermassive black hole. Also powerful starburst galaxies, through winds, are thought to have a deep impact onto the host galaxy. We will review the current status of evidence for the presence of the feedback process in active galactic nuclei and star-forming galaxies as well as the prospects for Athena.

  1. THE NATURE OF STARBURSTS. III. THE SPATIAL DISTRIBUTION OF STAR FORMATION

    SciTech Connect

    McQuinn, Kristen B. W.; Skillman, Evan D.; Dalcanton, Julianne J.; Weisz, Daniel R.; Williams, Benjamin F.; Cannon, John M.; Dolphin, Andrew E.; Holtzman, Jon

    2012-11-01

    We map the spatial distribution of recent star formation over a few Multiplication-Sign 100 Myr timescales in 15 starburst dwarf galaxies using the location of young blue helium burning stars identified from optically resolved stellar populations in archival Hubble Space Telescope observations. By comparing the star formation histories from both the high surface brightness central regions and the diffuse outer regions, we measure the degree to which the star formation has been centrally concentrated during the galaxies' starbursts, using three different metrics for the spatial concentration. We find that the galaxies span a full range in spatial concentration, from highly centralized to broadly distributed star formation. Since most starbursts have historically been identified by relatively short timescale star formation tracers (e.g., H{alpha} emission), there could be a strong bias toward classifying only those galaxies with recent, centralized star formation as starbursts, while missing starbursts that are spatially distributed.

  2. Constraining Stellar Feedbacks: Photo-ionization vs. Shock-ionization in Local Starburst Galaxies

    NASA Astrophysics Data System (ADS)

    Hong, Sungryong; Calzetti, D.; Chandar, R.; Gallagher, J. S.; Kennicutt, R. C.; Martin, C.; Pellerin, A.; Strickland, D.; Dopita, M. A.

    2010-01-01

    We present the small- and intermediate-scale structure of interstellar medium(ISM) of five local starburst galaxies; NGC1569, NGC4449, Holmberg II, NGC5236, and HE2-10. Each galaxy has four narrow band images for H-beta(4861A), [OIII](5007A), H-alpha(6563A), and [SII](6717,6731A) (or [NII](6583A)), imaged by Advanced Camera for Survey(ACS), Wide Field Planetary Camera 2(WFPC2), and Wide Field Camera 3(WFC3) of the Hubble Space Telescope(HST). We produce line diagnostics diagrams from those narrow band images on a pixel-by-pixel basis and discriminate shock-ionized gas (pixels) by using the ``maximum starburst line'' of Kewley et al. (2001). The properties of line ratios, [SII]/H-alpha vs [OIII]/H-beta, H-alpha vs [OIII]/H-beta, and H-alpha vs [SII]/H-alpha, for photo-ionized gas are well explained by the photo-ionization model of Kewley et al. (2001). When comparing the four galaxies, NGC3077, NGC4214, NGC5236, and NGC5253, previously studied in Calzetti et al. (2004) with our galaxies, we have found similar groups which share the same trend in line ratio plots. The origin of the groups can be explained by the effects of different metallicity and different starforming strength with respect to potential depth, which are strongly related to cooling rate and galactic wind driving mechanism. We compare the shock-ionized gas with shock-ionization model of Allen et al. (2008). Although the ``maximum starburst line'' gives us conservative estimation of shock-ionized gas, our rough estimation of shock velocity 250km/s of HE2-10 is consistent with Mendez et al. (1999). As an Appendix, we present a new objective technique for continuum subtraction from narrow-band image. We have found that skewness values of continuum subtracted images show a transitional feature around the optimal subtraction. We present some real applications and discuss about the strong points and the weak points of this technique.

  3. Local structure in anisotropic systems determined by molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Komolkin, Andrei V.; Maliniak, Arnold

    In the present communication we describe the investigation of local structure using a new visualization technique. The approach is based on two-dimensional pair correlation functions derived from a molecular dynamics computer simulation. We have used this method to analyse a trajectory produced in a simulation of a nematic liquid crystal of 4-n-pentyl-4'-cyanobiphenyl (5CB) (Komolkin et al., 1994, J. chem. Phys., 101, 4103). The molecule is assumed to have cylindrical symmetry, and the liquid crystalline phase is treated as uniaxial. The pair correlation functions or cylindrical distribution functions (CDFs) are calculated in the molecular (m) and laboratory (l) frames, gm2(z1 2, d1 2) and g12(Z1 2, D1 2). Anisotropic molecular organization in the liquid crystal is reflected in laboratory frame CDFs. The molecular excluded volume is determined and the effect of the fast motion in the alkyl chain is observed. The intramolecular distributions are included in the CDFs and indicate the size of the motional amplitude in the chain. Absence of long range order was confirmed, a feature typical for a nematic liquid crystal.

  4. Structural characterization of polymorphs and molecular complexes of finasteride

    NASA Astrophysics Data System (ADS)

    Wawrzycka, Irena; Stȩpniak, Krystyna; Matyjaszczyk, Sławomir; Kozioł, Anna E.; Lis, Tadeusz; Abboud, Khalil A.

    1999-01-01

    The molecular structure of finasteride, 17 β-( N-tert-butylcarbamoyl)-4-aza-5 α-androst-1-en-3-one, and structures of three related crystalline forms have been determined by X-ray analysis. The rigid steroid skeleton of the molecule adopts a half-chair/chair/chair/half-chair conformation. Two peptide groups, one cyclic (lactam) in the ring A and a second being a part of the substituent at C17, are the main factors influencing intermolecular contacts. Different hydrogen-bond interactions of these hydrophilic groups are observed in the crystal structures. An infinite ribbon of finasteride molecules is formed between lactam groups in the orthorhombic homomolecular crystal ( 1) obtained from an ethanol solution. The linear molecular complex finasteride-acetic acid ( 1a) is connected by hydrogen bonds between the lactam of finasteride and the carboxyl group of acetic acid. The crystallization from an ethyl acetate solution gives a complex structure of bis-finasteride monohydrate ethyl acetate clathrate ( 1b) with guest molecule disordered in channels. Crystals of a second (monoclinic) finasteride polymorph ( 2) were obtained during thermal decomposition of 1a, and sublimation of 1, 1a and 1b. Two polymorphic forms show different IR spectra.

  5. A 3D visualization system for molecular structures

    NASA Technical Reports Server (NTRS)

    Green, Terry J.

    1989-01-01

    The properties of molecules derive in part from their structures. Because of the importance of understanding molecular structures various methodologies, ranging from first principles to empirical technique, were developed for computing the structure of molecules. For large molecules such as polymer model compounds, the structural information is difficult to comprehend by examining tabulated data. Therefore, a molecular graphics display system, called MOLDS, was developed to help interpret the data. MOLDS is a menu-driven program developed to run on the LADC SNS computer systems. This program can read a data file generated by the modeling programs or data can be entered using the keyboard. MOLDS has the following capabilities: draws the 3-D representation of a molecule using stick, ball and ball, or space filled model from Cartesian coordinates, draws different perspective views of the molecule; rotates the molecule on the X, Y, Z axis or about some arbitrary line in space, zooms in on a small area of the molecule in order to obtain a better view of a specific region; and makes hard copy representation of molecules on a graphic printer. In addition, MOLDS can be easily updated and readily adapted to run on most computer systems.

  6. A 3D visualization system for molecular structures

    NASA Technical Reports Server (NTRS)

    Green, Terry J.

    1989-01-01

    The properties of molecules derive in part from their structures. Because of the importance of understanding molecular structures various methodologies, ranging from first principles to empirical technique, were developed for computing the structure of molecules. For large molecules such as polymer model compounds, the structural information is difficult to comprehend by examining tabulated data. Therefore, a molecular graphics display system, called MOLDS, was developed to help interpret the data. MOLDS is a menu-driven program developed to run on the LADC SNS computer systems. This program can read a data file generated by the modeling programs or data can be entered using the keyboard. MOLDS has the following capabilities: draws the 3-D representation of a molecule using stick, ball and ball, or space filled model from Cartesian coordinates, draws different perspective views of the molecule; rotates the molecule on the X, Y, Z axis or about some arbitrary line in space, zooms in on a small area of the molecule in order to obtain a better view of a specific region; and makes hard copy representation of molecules on a graphic printer. In addition, MOLDS can be easily updated and readily adapted to run on most computer systems.

  7. Large Molecule Structures by Broadband Fourier Transform Molecular Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

    2016-06-01

    Fourier transform molecular rotational resonance spectroscopy (FT-MRR) using pulsed jet molecular beam sources is a high-resolution spectroscopy technique that can be used for chiral analysis of molecules with multiple chiral centers. The sensitivity of the molecular rotational spectrum pattern to small changes in the three dimensional structure makes it possible to identify diastereomers without prior chemical separation. For larger molecules, there is the additional challenge that different conformations of each diastereomer may be present and these need to be differentiated from the diastereomers in the spectral analysis. Broadband rotational spectra of several larger molecules have been measured using a chirped-pulse FT-MRR spectrometer. Measurements of nootkatone (C15H22O), cedrol (C15H26O), ambroxide (C16H28O) and sclareolide (C16H26O2) are presented. These spectra are measured with high sensitivity (signal-to-noise ratio near 1,000:1) and permit structure determination of the most populated isomers using isotopic analysis of the 13C and 18O isotopologues in natural abundance. The accuracy of quantum chemistry calculations to identify diastereomers and conformers and to predict the dipole moment properties needed for three wave mixing measurements is examined.

  8. Large-Field CO(J = 1→0) Observations of the Starburst Galaxy M 82

    NASA Astrophysics Data System (ADS)

    Salak, Dragan; Nakai, Naomasa; Miyamoto, Yusuke; Yamauchi, Aya; Tsuru, Takeshi G.

    2013-06-01

    We present large-field (15.7 × 16.9 arcmin2) CO(J = 1→0) observations of the starburst galaxy M 82, at an angular resolution of 22" with the NRO 45-m telescope. The CO emission was detected in the galactic disk, outflow (driven by the galactic wind) up to ˜2 kpc above the galactic plane in the halo, and in tidal streams. The kinematics of the outflow (including CO line splitting) suggests that it has the shape of a cylinder that is diverging outwards. The mass and kinetic energy of the molecular gas outflow are estimated to be (0.26-1.0) × 109 M⊙ and (1-4) × 1056 erg. A clump of CO gas was discovered 3.5 kpc above the galactic plane; it coincides with a dark lane previously found in X-ray observations, and a peak in H I emission. A comparison with H I, hot molecular hydrogen and dust suggests that the molecular gas shows signatures of warm and cool components in the outflow and tidal streams, respectively.

  9. Gas distribution and starbursts in shell galaxies

    NASA Technical Reports Server (NTRS)

    Weil, Melinda L.; Hernquist, Lars

    1993-01-01

    Detailed maps of most elliptical galaxies reveal that, whereas the greatest part of their luminous mass originates from a smooth distribution with a surface brightness approximated by a de Vaucouleurs law, a small percentage of their light is contributed by low surface brightness distortions termed 'fine structures'. The sharp-edged features called 'shells' are successfully reproduced by merger and infall models involving accretion from less massive companions. In this context, dwarf spheroidal and compact disk galaxies are likely progenitors of these stellar phenomena. However, it is probable that the sources of shell-forming material also contain significant amounts of gas. This component may play an important role in constraining the formation and evolution of shell galaxies. To investigate the effects of the gaseous component, numerical simulations were performed to study the tidal disruption of dwarf galaxies containing both gas and stars by more massive primaries, and the evolution of the ensuing debris. The calculations were performed with a hybrid N-body/hydrodynamics code. Collisionless matter is evolved using a conventional N-body technique and gas is treated using smoothed particle hydrodynamics in which self-gravitating fluid elements are represented as particles evolving according to Lagrangian hydrodynamic equations. An isothermal equation of state is employed so the gas remains at a temperature 104 K. Owing to the large mass ratio between the primary and companion, the primary is modeled as a rigid potential and the self-gravity of both galaxies is neglected.

  10. Discovering structural alerts for mutagenicity using stable emerging molecular patterns.

    PubMed

    Métivier, Jean-Philippe; Lepailleur, Alban; Buzmakov, Aleksey; Poezevara, Guillaume; Crémilleux, Bruno; Kuznetsov, Sergei O; Le Goff, Jérémie; Napoli, Amedeo; Bureau, Ronan; Cuissart, Bertrand

    2015-05-26

    This study is dedicated to the introduction of a novel method that automatically extracts potential structural alerts from a data set of molecules. These triggering structures can be further used for knowledge discovery and classification purposes. Computation of the structural alerts results from an implementation of a sophisticated workflow that integrates a graph mining tool guided by growth rate and stability. The growth rate is a well-established measurement of contrast between classes. Moreover, the extracted patterns correspond to formal concepts; the most robust patterns, named the stable emerging patterns (SEPs), can then be identified thanks to their stability, a new notion originating from the domain of formal concept analysis. All of these elements are explained in the paper from the point of view of computation. The method was applied to a molecular data set on mutagenicity. The experimental results demonstrate its efficiency: it automatically outputs a manageable number of structural patterns that are strongly related to mutagenicity. Moreover, a part of the resulting structures corresponds to already known structural alerts. Finally, an in-depth chemical analysis relying on these structures demonstrates how the method can initiate promising processes of chemical knowledge discovery.

  11. Biological spectra analysis: Linking biological activity profiles to molecular structure

    PubMed Central

    Fliri, Anton F.; Loging, William T.; Thadeio, Peter F.; Volkmann, Robert A.

    2005-01-01

    Establishing quantitative relationships between molecular structure and broad biological effects has been a longstanding challenge in science. Currently, no method exists for forecasting broad biological activity profiles of medicinal agents even within narrow boundaries of structurally similar molecules. Starting from the premise that biological activity results from the capacity of small organic molecules to modulate the activity of the proteome, we set out to investigate whether descriptor sets could be developed for measuring and quantifying this molecular property. Using a 1,567-compound database, we show that percent inhibition values, determined at single high drug concentration in a battery of in vitro assays representing a cross section of the proteome, provide precise molecular property descriptors that identify the structure of molecules. When broad biological activity of molecules is represented in spectra form, organic molecules can be sorted by quantifying differences between biological spectra. Unlike traditional structure–activity relationship methods, sorting of molecules by using biospectra comparisons does not require knowledge of a molecule's putative drug targets. To illustrate this finding, we selected as starting point the biological activity spectra of clotrimazole and tioconazole because their putative target, lanosterol demethylase (CYP51), was not included in the bioassay array. Spectra similarity obtained through profile similarity measurements and hierarchical clustering provided an unbiased means for establishing quantitative relationships between chemical structures and biological activity spectra. This methodology, which we have termed biological spectra analysis, provides the capability not only of sorting molecules on the basis of biospectra similarity but also of predicting simultaneous interactions of new molecules with multiple proteins. PMID:15625110

  12. Dusty Starbursts within a z=3 Large Scale Structure

    NASA Astrophysics Data System (ADS)

    Umehata, H.; Kohno, K.; Tamura, Y.; Iono, D.; Nakanishi, K.; Hatsukade, B.; Ikarashi, S.; Izumi, T.; Matsuda, Y.; Ivison, R.; Yun, M.; Wilson, G.; Hughes, D.

    2015-12-01

    We present the results of an ALMA survey of submillimeter galaxies (SMGs) in the SSA22 field. Totally 45 sources discovered by the AzTEC/ASTE survey were observed at 1.1mm to find 64 ALMA -identified SMGs with S/N≥4.5. This is the largest SMG survey in Band 6 in ALMA Cycle1. Previous panoramic Lyman-alpha emitter (LAE) surveys have unveiled that SSA22 is not a general field but a highly biased field at z=3.1. We find large excess in the number counts and surface number density compared to the ALESS survey in ECDFS, which suggests SMGs are preferentially formed in the dense environment at z˜3.

  13. Theoretical investigation of the molecular structure of the isoquercitrin molecule

    NASA Astrophysics Data System (ADS)

    Cornard, J. P.; Boudet, A. C.; Merlin, J. C.

    1999-09-01

    Isoquercitrin is a glycosilated flavonoid that has received a great deal of attention because of its numerous biological effects. We present a theoretical study on isoquercitrin using both empirical (Molecular Mechanics (MM), with MMX force field) and quantum chemical (AM1 semiempirical method) techniques. The most stable structures of the molecule obtained by MM calculations have been used as input data for the semiempirical treatment. The position and orientation of the glucose moiety with regard to the remainder of the molecule have been investigated. The flexibility of isoquercitrin principally lies in rotations around the inter-ring bond and the sugar link. In order to know the structural modifications generated by the substitution by a sugar, geometrical parameters of quercetin (aglycon) and isoquercitrin have been compared. The good accordance between theoretical and experimental electronic spectra permits to confirm the reliability of the structural model.

  14. State of water, molecular structure, and cytotoxicity of silk hydrogels.

    PubMed

    Numata, Keiji; Katashima, Takuya; Sakai, Takamasa

    2011-06-13

    A novel technique was developed to regulate the bulk water content of silk hydrogels by adjusting the concentrations of silk proteins, which is helpful to investigate the effects of the state of water in polymeric hydrogel on its biological functions, such as cytotoxicity. Gelation of the silk hydrogel was induced with ethanol and its gelation behavior was analyzed by rheometry. The silk hydrogels prepared at various silk concentrations were characterized with respect to their water content, molecular and network structures, state of water, mechanical properties, and cytotoxicity to human mesenchymal stem cells. The network structure of silk hydrogel was heterogeneous with β-sheet and fibrillar structures. The influence of the state of water in the silk hydrogel on the cytotoxicity was recognized by means of differential scanning calorimetry and cell proliferation assay, which revealed that the bound water will support cell-adhesion proteins in the cellular matrix to interact with the surface of the silk hydrogels.

  15. Heat-induced changes to lipid molecular structure in Vimy flaxseed: Spectral intensity and molecular clustering

    NASA Astrophysics Data System (ADS)

    Yu, Peiqiang; Damiran, Daalkhaijav

    2011-06-01

    Autoclaving was used to manipulate nutrient utilization and availability. The objectives of this study were to characterize any changes of the functional groups mainly associated with lipid structure in flaxseed ( Linum usitatissimum, cv. Vimy), that occurred on a molecular level during the treatment process using infrared Fourier transform molecular spectroscopy. The parameters included lipid CH 3 asymmetric (ca. 2959 cm -1), CH 2 asymmetric (ca. 2928 cm -1), CH 3 symmetric (ca. 2871 cm -1) and CH 2 symmetric (ca. 2954 cm -1) functional groups, lipid carbonyl C dbnd O ester group (ca. 1745 cm -1), lipid unsaturation group (CH attached to C dbnd C) (ca. 3010 cm -1) as well as their ratios. Hierarchical cluster analysis (CLA) and principal components analysis (PCA) were conducted to identify molecular spectral differences. Flaxseed samples were kept raw for the control or autoclaved in batches at 120 °C for 20, 40 or 60 min for treatments 1, 2 and 3, respectively. Molecular spectral analysis of lipid functional group ratios showed a significant decrease ( P < 0.05) in the CH 2 asymmetric to CH 3 asymmetric stretching band peak intensity ratios for the flaxseed. There were linear and quadratic effects ( P < 0.05) of the treatment time from 0, 20, 40 and 60 min on the ratios of the CH 2 asymmetric to CH 3 asymmetric stretching vibration intensity. Autoclaving had no significant effect ( P > 0.05) on lipid carbonyl C dbnd O ester group and lipid unsaturation group (CH attached to C dbnd C) (with average spectral peak area intensities of 138.3 and 68.8 IR intensity units, respectively). Multivariate molecular spectral analyses, CLA and PCA, were unable to make distinctions between the different treatment original spectra at the CH 3 and CH 2 asymmetric and symmetric region (ca. 2988-2790 cm -1). The results indicated that autoclaving had an impact to the mid-infrared molecular spectrum of flaxseed to identify heat-induced changes in lipid conformation. A future study

  16. Evolution of molecular crystal optical phonons near structural phase transitions

    NASA Astrophysics Data System (ADS)

    Michki, Nigel; Niessen, Katherine; Xu, Mengyang; Markelz, Andrea

    Molecular crystals are increasingly important photonic and electronic materials. For example organic semiconductors are lightweight compared to inorganic semiconductors and have inexpensive scale up processing with roll to roll printing. However their implementation is limited by their environmental sensitivity, in part arising from the weak intermolecular interactions of the crystal. These weak interactions result in optical phonons in the terahertz frequency range. We examine the evolution of intermolecular interactions near structural phase transitions by measuring the optical phonons as a function of temperature and crystal orientation using terahertz time-domain spectroscopy. The measured orientation dependence of the resonances provides an additional constraint for comparison of the observed spectra with the density functional calculations, enabling us to follow specific phonon modes. We observe crystal reorganization near 350 K for oxalic acid as it transforms from dihydrate to anhydrous form. We also report the first THz spectra for the molecular crystal fructose through its melting point.

  17. On calculating the equilibrium structure of molecular crystals

    NASA Astrophysics Data System (ADS)

    Mattsson, Ann E.; Wixom, Ryan R.; Mattsson, Thomas R.

    2010-03-01

    The difficulty of calculating the ambient properties of molecular crystals, such as the explosive PETN, has long hampered much needed computational investigations of these materials. One reason for the shortcomings is that the exchange-correlation functionals available for Density Functional Theory (DFT) based calculations do not correctly describe the weak intermolecular van der Waals' forces present in molecular crystals. However, this weak interaction also poses other challenges for the computational schemes used. We will discuss these issues in the context of calculations of lattice constants and structure of PETN with a number of different functionals, and also discuss if these limitations can be circumvented for studies at non-ambient conditions. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  18. Three decades of structure- and property-based molecular design.

    PubMed

    Müller, Klaus

    2014-01-01

    Roche has pioneered structure- and property-based molecular design to drug discovery. While this is an ongoing development, the past three decades feature key events that have revolutionized the way drug discovery is conducted in Big Pharma industry. It has been a great privilege to have been involved in this transformation process, to have been able to collaborate with, direct, guide, or simply encourage outstanding experts in various disciplines to build and further develop what has become a major pillar of modern small-molecule drug discovery. This article is an account of major events that took place since the early decision of Roche to implement computer-assisted molecular modeling 32 years ago and is devoted to the key players involved. It highlights the internal build-up of structural biology, with protein X-ray structure determination at its core, and the early setup of bioinformatics. It describes the strategic shift to large compound libraries and high-throughput screening with the development of novel compound storage and ultra-high-throughput screening facilities, as well as the strategic return to focused screening of small motif-based compound libraries. These developments were accompanied by the rise of miniaturized parallel compound property analytics which resulted in a major paradigm shift in medicinal chemistry from linear to multi-dimensional lead optimization. The rapid growth of huge collections of property data stimulated the development of various novel data mining concepts with 'matched molecular pair' analysis and novel variants thereof playing crucial roles. As compound properties got more prominent in molecular design, exploration of specific structural motifs for property modulation became a research activity complementary to target-oriented medicinal chemistry. The exploration of oxetane is given as an example. For the sake of brevity, this account cannot detail all further developments that have taken place in each individual area of

  19. Structure of a molecular liquid GeI4

    NASA Astrophysics Data System (ADS)

    Fuchizaki, Kazuhiro; Sakagami, Takahiro; Kohara, Shinji; Mizuno, Akitoshi; Asano, Yuta; Hamaya, Nozomu

    2016-11-01

    A molecular liquid GeI4 is a candidate that undergoes a pressure-induced liquid-to-liquid phase transition. This study establishes the reference structure of the low-pressure liquid phase. Synchrotron x-ray diffraction measurements were carried out at several temperatures between the melting and the boiling points under ambient pressure. The molecule has regular tetrahedral symmetry, and the intramolecular Ge-I length of 2.51 Å is almost temperature-independent within the measured range. A reverse Monte Carlo (RMC) analysis is employed to find that the distribution of molecular centers remains self-similar against heating, and thus justifying the length-scaling method adopted in determining the density. The RMC analysis also reveals that the vertex-to-face orientation of the nearest molecules are not straightly aligned, but are inclined at about 20 degrees, thereby making the closest intermolecular I-I distance definitely shorter than the intramolecular one. The prepeak observed at  ˜1 Å-1 in the structural factor slightly shifts and increases in height with increasing temperature. The origin of the prepeak is clearly identified to be traces of the 111 diffraction peak in the crystalline state. The prepeak, assuming the residual spatial correlation between germanium sites in the densest direction, thus shifts toward lower wavenumbers with thermal expansion. The aspect that a relative reduction in molecular size associated with the volume expansion is responsible for the increase in the prepeak’s height is confirmed by a simulation, in which the molecular size is changed.

  20. The molecular structure of the left-handed supra-molecular helix of eukaryotic polyribosomes

    NASA Astrophysics Data System (ADS)

    Myasnikov, Alexander G.; Afonina, Zhanna A.; Ménétret, Jean-François; Shirokov, Vladimir A.; Spirin, Alexander S.; Klaholz, Bruno P.

    2014-11-01

    During protein synthesis, several ribosomes bind to a single messenger RNA (mRNA) forming large macromolecular assemblies called polyribosomes. Here we report the detailed molecular structure of a 100 MDa eukaryotic poly-ribosome complex derived from cryo electron tomography, sub-tomogram averaging and pseudo-atomic modelling by crystal structure fitting. The structure allowed the visualization of the three functional parts of the polysome assembly, the central core region that forms a rather compact left-handed supra-molecular helix, and the more open regions that harbour the initiation and termination sites at either ends. The helical region forms a continuous mRNA channel where the mRNA strand bridges neighbouring exit and entry sites of the ribosomes and prevents mRNA looping between ribosomes. This structure provides unprecedented insights into protein- and RNA-mediated inter-ribosome contacts that involve conserved sites through 40S subunits and long protruding RNA expansion segments, suggesting a role in stabilizing the overall polyribosomal assembly.

  1. MID-INFRARED SPECTRAL PROPERTIES OF POST-STARBURST QUASARS

    SciTech Connect

    Wei Peng; Shang Zhaohui; Brotherton, Michael S.; Dale, Daniel A.; Cales, Sabrina L.; Hines, Dean C.; Ganguly, Rajib; Canalizo, Gabriela

    2013-07-20

    We present Spitzer InfraRed Spectrograph low-resolution spectra of 16 spectroscopically selected post-starburst quasars (PSQs) at z {approx} 0.3. The optical spectra of these broad-lined active galactic nuclei (AGNs) simultaneously show spectral signatures of massive intermediate-aged stellar populations making them good candidates for studying the connections between AGNs and their hosts. The resulting spectra show relatively strong polycyclic aromatic hydrocarbon (PAH) emission features at 6.2 and 11.3 {mu}m and a very weak silicate feature, indicative of ongoing star formation and low dust obscuration levels for the AGNs. We find that the mid-infrared composite spectrum of PSQs has spectral properties between ULIRGs and QSOs, suggesting that PSQs are hybrid AGN and starburst systems as also seen in their optical spectra. We also find that PSQs in early-type host galaxies tend to have relatively strong AGN activities, while those in spiral hosts have stronger PAH emission, indicating more star formation.

  2. THE DRIVING MECHANISM OF STARBURSTS IN GALAXY MERGERS

    SciTech Connect

    Teyssier, Romain; Chapon, Damien; Bournaud, Frederic

    2010-09-10

    We present hydrodynamic simulations of a major merger of disk galaxies, and study the interstellar medium (ISM) dynamics and star formation (SF) properties. High spatial and mass resolutions of 12 pc and 4 x 10{sup 4} M {sub sun} allow us to resolve cold and turbulent gas clouds embedded in a warmer diffuse phase. We compare lower-resolution models, where the multiphase ISM is not resolved and is modeled as a relatively homogeneous and stable medium. While merger-driven bursts of SF are generally attributed to large-scale gas inflows toward the nuclear regions, we show that once a realistic ISM is resolved, the dominant process is actually gas fragmentation into massive and dense clouds and rapid SF therein. As a consequence, SF is more efficient by a factor of up to {approx}10 and is also somewhat more extended, while the gas density probability distribution function rapidly evolves toward very high densities. We thus propose that the actual mechanism of starburst triggering in galaxy collisions can only be captured at high spatial resolution and when the cooling of gas is modeled down to less than 10{sup 3} K. Not only does our model reproduce the properties of the Antennae system, but it also explains the 'starburst mode' recently revealed in high-redshift mergers compared to quiescent disks.

  3. Are bars essential for starbursts in non-interacting galaxies

    NASA Technical Reports Server (NTRS)

    Pompea, Stephen M.; Rieke, G. H.

    1990-01-01

    Analyzed here are the 1.6 and 2.2 micron images of a sample of galaxies that are classified as unbarred by the Revised Shapley-Ames Catalog. These galaxies have characteristic properties of nuclear starbursts and are examined through near infrared imaging in a search for hidden bars. Researchers selected a sample of 36 galaxies from the Revised Shapley-Ames Catalog that have far infrared luminosities greater than 10(exp 10) solar luminosity and hot Infrared Astronomy Satellite (IRAS) colors between 60 and 100 microns, indicative of nuclear starbursts, but are not classified as Seyfert 1 or 2. Their determination of the presence of a bar relies primarily on an analysis of the 2 micron image using the Galaxy Surface Photometry (GASP) package (Cawson, 1983). The GASP analysis programs determine the galaxy surface brightness and ellipticity profiles as well as the position angle and the center coordinates of the ellipses. To test the way that GASP will characterize the surface brightness of barred galaxies, two galaxies with known bars, NGC 1068 and NGC 2523, were imaged with the 2 micron camera and analyzed with GASP. Fifteen of the sample that are not clearly barred from optical data and are isolated were imaged at 1.6 and 2.2 microns; 9 of these do not appear to have bars. Strong bars therefore do not appear to be an absolute requirement for high infrared luminosity in isolated galaxies.

  4. The fine line between normal and starburst galaxies

    NASA Astrophysics Data System (ADS)

    Lee, Nicholas; Sheth, Kartik; Scott, Kimberly S.; Toft, Sune; Magdis, Georgios E.; Damjanov, Ivana; Zahid, H. Jabran; Casey, Caitlin M.; Cortzen, Isabella; Gómez Guijarro, Carlos; Karim, Alexander; Leslie, Sarah K.; Schinnerer, Eva

    2017-10-01

    Recent literature suggests that there are two modes through which galaxies grow their stellar mass - a normal mode characterized by quasi-steady star formation, and a highly efficient starburst mode possibly triggered by stochastic events such as galaxy mergers. While these differences are established for extreme cases, the population of galaxies between these two regimes is poorly studied and it is not clear where the transition between these two modes of star formation occurs. We utilize the Atacama Large Millimeter/submillimeter Array observations of the CO J = 3-2 line luminosity in a sample of 20 infrared luminous galaxies that lie in the intermediate range between normal and starburst galaxies at z ∼ 0.25-0.65 in the Cosmic Evolution Survey field to examine their gas content and star formation efficiency. We compare these quantities to the galaxies' deviation from the well-studied 'main sequence' (MS) correlation between star formation rate and stellar mass and find that at log(SFR/SFRMS) ≲ 0.6, a galaxy's distance to the main sequence is primarily driven by increased gas content, and not a more efficient star formation process.

  5. Early Starbursts and Magnetic Field Generation in Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Völk, H. J.; Atoyan, A. M.

    2000-09-01

    We propose a mechanism for the early generation of the mean intracluster magnetic field in terms of magnetized galactic winds. These winds are the result of starburst phases of the cluster galaxies, assumed to produce the predominant population of early-type galaxies in mergers of gas-rich progenitors. After further cluster contraction, typical field strengths are 10-7 G. This estimate may increase to the level of 10-6 G if more extreme galactic parameters and subsequent shear amplification of the field are considered. The topology of the field is one of almost unconnected wind bubbles with Parker-type spiral field configurations over scales of the distance between galaxies. Further cluster accretion, which continues chaotically in space and time up to the present, will perturb these ``large-scale'' mean fields on smaller or at best comparable spatial scales. The small-scale fields in the resulting turbulent fluctuation spectrum should be able to confine relativistic particles over times longer than the age of the universe. The nonthermal particle content of galaxy clusters should therefore also have a ``cosmological'' hadronic component generated during the early starburst phase of the member galaxies. Already by itself it implies a nonthermal energy fraction of about 10% for the intracluster gas that should then be detectable by future γ-ray telescopes.

  6. Molecular structures of carotenoids as predicted by MNDO-AM1 molecular orbital calculations

    NASA Astrophysics Data System (ADS)

    Hashimoto, Hideki; Yoda, Takeshi; Kobayashi, Takayoshi; Young, Andrew J.

    2002-02-01

    Semi-empirical molecular orbital calculations using AM1 Hamiltonian (MNDO-AM1 method) were performed for a number of biologically important carotenoid molecules, namely all- trans-β-carotene, all- trans-zeaxanthin, and all- trans-violaxanthin (found in higher plants and algae) together with all- trans-canthaxanthin, all- trans-astaxanthin, and all- trans-tunaxanthin in order to predict their stable structures. The molecular structures of all- trans-β-carotene, all- trans-canthaxanthin, and all- trans-astaxanthin predicted based on molecular orbital calculations were compared with those determined by X-ray crystallography. Predicted bond lengths, bond angles, and dihedral angles showed an excellent agreement with those determined experimentally, a fact that validated the present theoretical calculations. Comparison of the bond lengths, bond angles and dihedral angles of the most stable conformer among all the carotenoid molecules showed that the displacements are localized around the substituent groups and hence around the cyclohexene rings. The most stable conformers of all- trans-zeaxanthin and all- trans-violaxanthin gave rise to a torsion angle around the C6-C7 bond to be ±48.7 and -84.8°, respectively. This difference is a key factor in relation to the biological function of these two carotenoids in plants and algae (the xanthophyll cycle). Further analyses by calculating the atomic charges and using enpartment calculations (division of bond energies between component atoms) were performed to ascribe the cause of the different observed torsion angles.

  7. Insights into molecular structure and digestion rate of oat starch.

    PubMed

    Xu, Jinchuan; Kuang, Qirong; Wang, Kai; Zhou, Sumei; Wang, Shuo; Liu, Xingxun; Wang, Shujun

    2017-04-01

    The in vitro digestibility of oat starch and its relationship with starch molecular structure was investigated. The in vitro digestion results showed that the first-order kinetic constant (k) of oat starches (OS-1 and OS-2) was lower than that of rice starch. The size of amylose chains, amylose content and degree of branching (DB) of amylopectin in oat starch were significantly higher than the corresponding parameters in rice starch. The larger molecular size of oat starch may account for its lower digestion rate. The fine structure of amylopectin showed that oat starch had less chains of DP 6-12 and DP>36, which may explain the small difference in digestion rate between oat and rice starch. The biosynthesis model from oat amylopectin fine structure data suggested a lower starch branching enzyme (SBE) activity and/or a higher starch synthase (SS) activity, which may decrease the DB of oat starch and increase its digestion rate. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. Structure-based molecular modeling approaches to GPCR oligomerization.

    PubMed

    Kaczor, Agnieszka A; Selent, Jana; Poso, Antti

    2013-01-01

    Classical structure-based drug design techniques using G-protein-coupled receptors (GPCRs) as targets focus nearly exclusively on binding at the orthosteric site of a single receptor. Dimerization and oligomerization of GPCRs, proposed almost 30 years ago, have, however, crucial relevance for drug design. Targeting these complexes selectively or designing small molecules that affect receptor-receptor interactions might provide new opportunities for novel drug discovery. In order to study the mechanisms and dynamics that rule GPCRs oligomerization, it is essential to understand the dynamic process of receptor-receptor association and to identify regions that are suitable for selective drug binding, which may be determined with experimental methods such as Förster resonance energy transfer (FRET) or Bioluminescence resonance energy transfer (BRET) and computational sequence- and structure-based approaches. The aim of this chapter is to provide a comprehensive description of the structure-based molecular modeling methods for studying GPCR dimerization, that is, protein-protein docking, molecular dynamics, normal mode analysis, and electrostatics studies.

  9. Molecular Conductance: Effects of Contact Atomic Structure and Anchoring Group

    NASA Astrophysics Data System (ADS)

    Ke, S.-H.; Baranger, H. U.; Yang, Weitao

    2004-03-01

    The nature of the molecule-lead contact is of crucial importance in molecular transport. As an example, we study the molecular conductance of benzene connected to two Au leads through three different anchoring groups (S, Se, and Te). Our calculations proceed from first-principles by using a density functional theory calculation for the electronic structure and a Green function method for the electron transport. We analyze systematically the effects of contact atomic relaxation, lead orientation, absorption site, chemical trends in the anchoring group, and atomic structure around the contact. Different lead orientations, absorption sites, and anchoring groups can cause a change of several times in conductance. Most significantly, adding an additional Au atom at each contact can increase the conductance by two orders of magnitude because of a LUMO-like resonance peak around the Fermi energy. This also leads to a large negative differential conductance. Finally, the equilibrium conductance decreases with increasing atomic number of the anchoring group. This is opposite to the conclusion of previous work using the jellium model for the leads in which the contact atomic structure cannot be taken into account. Supported in part by the NSF (DMR-0103003).

  10. Optical investigation of molecular structure of sophisticated materials for photonics

    NASA Astrophysics Data System (ADS)

    Gnyba, Marcin; Keraenen, Mikko

    2003-10-01

    Permanent development of photonics stimulates a searching for new materials, which have better optical, mechanical and electrical properties. One of the new classes of materials with large application and development potential are hybrid polymers, synthesized in sol-gel technology. Thanks to incorporation of organic components into an in organic network, a combination of advantages of both class of materials became available. Properties of hybrids may be formed in wide range. These materials can be used in photonics to produce planar waveguides, lenses, Bragg gratings and components for integrated optics. Moreover, dielectric layers, coatings and packaging are made from hybrids. Additionally, research to apply them in optical fiber sensors (including bio-sensors) and solid state lasers is underway. However, to obtain a high quality product, a strict control of its molecular structure must be ensured. This is a very difficult task, because of a sophisticated structure of hybrid polymers. To address these problems, optical, non-destructive measurement techniques such as Raman and infrared spectroscopy were used. They are compementary methods, so their simultaneous application, as it was shown in this paper, can significantly increase the amoung of information about molecular structure of materials and process of their synthesis.

  11. Kinetic Effects of Aromatic Molecular Structures on Diffusion Flame Extinction

    SciTech Connect

    Won, Sang Hee; Dooley, S.; Dryer, F. L.; Ju, Yiguang

    2011-01-01

    Kinetic effects of aromatic molecular structures for jet fuel surrogates on the extinction of diffusion flames have been investigated experimentally and numerically in the counterflow configuration for toluene, n-propylbenzene, 1,2,4-trimethylbenzene, and 1,3,5-trimethylbenzene. Quantitative measurement of OH concentration for aromatic fuels was conducted by directly measuring the quenching rate from the emission lifetimes of OH planar laser induced fluorescence (LIF). The kinetic models for toluene and 1,2,4-trimethylbenzene were validated against the measurements of extinction strain rates and LIF measurements. A semi-detailed n-propylbenzene kinetic model was developed and tested. The experimental results showed that the extinction limits are ranked from highest to lowest as n-propylbenzene, toluene, 1,2,4-trimethylbenzene, and 1,3,5-trimethylbenzene. The present models for toluene and n-propylbenzene agree reasonably well with the measurements, whereas the model for 1,2,4-trimethylbenzene under-estimates extinction limits. Kinetic pathways of OH production and consumption were analyzed to investigate the impact of fuel fragmentation on OH formation. It was found that, for fuels with different molecular structures, the fuel decomposition pathways and their propagation into the formation of radical pool play an important role to determine the extinction limits of diffusion flames. Furthermore, OH concentrations were found to be representative of the entire radical pool concentration, the balance between chain branching and propagation/termination reactions and the balance between heat production from the reaction zone and heat losses to the fuel and oxidizer sides. Finally, a proposed “OH index,” was defined to demonstrate a linear correlation between extinction strain rate and OH index and fuel mole fraction, suggesting that the diffusion flame extinctions for the tested aromatic fuels can be determined by the capability of a fuel to establish a radical pool

  12. A Widespread, Clumpy Starburst in the Isolated Ongoing Dwarf Galaxy Merger dm1647+21

    NASA Astrophysics Data System (ADS)

    Privon, G. C.; Stierwalt, S.; Patton, D. R.; Besla, G.; Pearson, S.; Putman, M.; Johnson, K. E.; Kallivayalil, N.; Liss, S.; Titans, TiNy

    2017-09-01

    Interactions between pairs of isolated dwarf galaxies provide a critical window into low-mass hierarchical, gas-dominated galaxy assembly and the build-up of stellar mass in low-metallicity systems. We present the first Very Large Telescope/Multi Unit Spectroscopic Explorer (VLT/MUSE) optical integral field unit (IFU) observations of the interacting dwarf pair dm1647+21 selected from the TiNy Titans survey. The Hα emission is widespread and corresponds to a total unobscured star formation rate (SFR) of 0.44 M ⊙ yr‑1, which is 2.7 times higher than the SFR inferred from Sloan Digital Sky Survey (SDSS) data. The implied specific SFR (sSFR) for the system is elevated by more than an order of magnitude above non-interacting dwarfs in the same mass range. This increase is dominated by the lower-mass galaxy, which has a sSFR enhancement of >50. Examining the spatially resolved maps of classic optical line diagnostics, we find that the interstellar medium (ISM) excitation can be fully explained by star formation. The velocity field of the ionized gas is not consistent with simple rotation. Dynamical simulations indicate that the irregular velocity field and the stellar structure is consistent with the identification of this system as an ongoing interaction between two dwarf galaxies. The widespread, clumpy enhancements in the star formation in this system point to important differences in the effect of mergers on dwarf galaxies, compared to massive galaxies; rather than the funneling of gas to the nucleus and giving rise to a nuclear starburst, starbursts in low-mass galaxy mergers may be triggered by large-scale ISM compression, and thus may be more distributed.

  13. Relationship between antimold activity and molecular structure of cinnamaldehyde analogues.

    PubMed

    Zhang, Yuanyuan; Li, Shujun; Kong, Xianchao

    2013-03-01

    A quantitative structure-activity relationship (QSAR) modeling of the antimold activity of cinnamaldehyde analogues against of Aspergillus niger and Paecilomyces variotii was presented. The molecular descriptors of cinnamaldehyde analogues were calculated by the CODESSA program, and these descriptors were selected by best multi-linear regression method (BMLR). Satisfactory multilinear regression models of Aspergillus niger and Paecilomyces variotii were obtained with R(2)=0.9099 and 0.9444, respectively. The models were also satisfactorily validated using internal validation and leave one out validation. The QSAR models provide the guidance for further synthetic work. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Bohm's Quantum Potential and the Visualization of Molecular Structure

    NASA Technical Reports Server (NTRS)

    Levit, Creon; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    David Bohm's ontological interpretation of quantum theory can shed light on otherwise counter-intuitive quantum mechanical phenomena including chemical bonding. In the field of quantum chemistry, Richard Bader has shown that the topology of the Laplacian of the electronic charge density characterizes many features of molecular structure and reactivity. Visual and computational examination suggests that the Laplacian of Bader and the quantum potential of Bohm are morphologically equivalent. It appears that Bohmian mechanics and the quantum potential can make chemistry as clear as they makes physics.

  15. Structural Organization of {pi} Conjugated Highly Luminescent Molecular Material

    SciTech Connect

    Toudic, B.; Limelette, P.; Le Gac, F.; Moreac, A.; Rabiller, P.; Froyer, G.

    2005-11-18

    We report on striking evidence for a room temperature structural phase instability in p-hexaphenyl, inducing a nonplanar conformation of the molecules. Solid state proton NMR and single crystal x-ray diffraction allow the analysis of the organization, the individual dynamics and the involved symmetry breaking. The analysis of Raman spectra above and below room temperature reveals a singular behavior suggesting a modification of the overlap between the electronic wave function induced by the nonplanarity. These results provide a new basis to answer fundamental issues related to molecular and electronic materials and, in particular, luminescent organic devices.

  16. Structurally Defined Molecular Hypervalent Iodine Catalysts for Intermolecular Enantioselective Reactions

    PubMed Central

    Haubenreisser, Stefan; Wöste, Thorsten H.; Martínez, Claudio; Ishihara, Kazuaki

    2015-01-01

    Abstract Molecular structures of the most prominent chiral non‐racemic hypervalent iodine(III) reagents to date have been elucidated for the first time. The formation of a chirally induced supramolecular scaffold based on a selective hydrogen‐bonding arrangement provides an explanation for the consistently high asymmetric induction with these reagents. As an exploratory example, their scope as chiral catalysts was extended to the enantioselective dioxygenation of alkenes. A series of terminal styrenes are converted into the corresponding vicinal diacetoxylation products under mild conditions and provide the proof of principle for a truly intermolecular asymmetric alkene oxidation under iodine(I/III) catalysis. PMID:26596513

  17. Bohm's Quantum Potential and the Visualization of Molecular Structure

    NASA Technical Reports Server (NTRS)

    Levit, Creon; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    David Bohm's ontological interpretation of quantum theory can shed light on otherwise counter-intuitive quantum mechanical phenomena including chemical bonding. In the field of quantum chemistry, Richard Bader has shown that the topology of the Laplacian of the electronic charge density characterizes many features of molecular structure and reactivity. Visual and computational examination suggests that the Laplacian of Bader and the quantum potential of Bohm are morphologically equivalent. It appears that Bohmian mechanics and the quantum potential can make chemistry as clear as they makes physics.

  18. Vibrational spectroscopic studies of 3-hydroxyphenylboronic acid: molecular structure

    NASA Astrophysics Data System (ADS)

    Sert, Y.; Ucun, F.; Böyükata, M.

    2013-02-01

    In this work, optimized molecular structure, vibrational frequencies and corresponding vibrational assignments, HOMO-LUMO energy values and electron density clouds of 3-hydroxyphenylboronic acid have been calculated by ab initio Hatree-Fock (HF) and density functional theory methods. The compound has eight conformers depending on the directions of hydrogen atoms bonded to oxygen. The computational results have diagnosed the most stable conformer of the compound as cis-trans (ctt) form. The calculated frequencies and optimized geometry parameters (bond lengths and bond angles) for the most stable conformer are in a good agreement with the corresponding experimental data.

  19. Molecular and electronic structures of cerium and cerium suboxide clusters

    NASA Astrophysics Data System (ADS)

    Kafader, Jared O.; Topolski, Josey E.; Jarrold, Caroline Chick

    2016-10-01

    The anion photoelectron (PE) spectra of Ce2Oy- (y = 1, 2), Ce3Oy- (y = 0-4), Ce4Oy- (y = 0-2), and Ce5Oy- (y = 1, 2) are reported and analyzed with supporting results from density functional theory calculations. The PE spectra all exhibit an intense electronic transition to the neutral ground state, all falling in the range of 0.7 to 1.1 eV electron binding energy, with polarization dependence consistent with detachment from diffuse Ce 6s-based molecular orbitals. There is no monotonic increase in electron affinity with increasing oxidation. A qualitative picture of how electronic structure evolves with an oxidation state emerges from comparison between the spectra and the computational results. The electronic structure of the smallest metallic cluster observed in this study, Ce3, is similar to the bulk structure in terms of atomic orbital occupancy (4f 5d2 6s). Initial cerium cluster oxidation involves largely ionic bond formation via Ce 5d and O 2p orbital overlap (i.e., larger O 2p contribution), with Ce—O—Ce bridge bonding favored over Ce=O terminal bond formation. With subsequent oxidation, the Ce 5d-based molecular orbitals are depleted of electrons, with the highest occupied orbitals described as diffuse Ce 6s based molecular orbitals. In the y ≤ (x + 1) range of oxidation states, each Ce center has a singly occupied non-bonding 4f orbital. The PE spectrum of Ce3O4- is unique in that it exhibits a single nearly vertical transition. The highly symmetric structure predicted computationally is the same structure determined from Ce3O4+ IR predissociation spectra [A. M. Burow et al., Phys. Chem. Chem. Phys. 13, 19393 (2011)], indicating that this structure is stable in -1, 0, and +1 charge states. Spectra of clusters with x ≥ 3 exhibit considerable continuum signal above the ground state transition; the intensity of the continuum signal decreases with increasing oxidation. This feature is likely the result of numerous quasi-bound anion states or two

  20. The Secrets of the Nearest Starburst Cluster. I. Very Large Telescope/ISAAC Photometry of NGC 3603

    NASA Astrophysics Data System (ADS)

    Stolte, Andrea; Brandner, Wolfgang; Brandl, Bernhard; Zinnecker, Hans; Grebel, Eva K.

    2004-08-01

    VLT/ISAAC JHKL photometry with subarcsecond resolution of the dense, massive starburst cluster NGC 3603 YC forming the core of the NGC 3603 giant molecular cloud is analyzed to reveal characteristics of the stellar population in unprecedented detail. The color-magnitude plane features a strong pre-main-sequence/main-sequence (PMS/MS) transition region, including the PMS/MS transition point, and reveals a secondary sequence for the first time in a nearby young starburst cluster. Arguments for a possible binary nature of this sequence are given. The resolved PMS/MS transition region allows isochrone fitting below the hydrogen-burning turn-on in NGC 3603 YC, yielding an independent estimate of global cluster parameters. A distance modulus of 13.9 mag, equivalent to d=6.0+/-0.3 kpc, is derived, as well as a line-of-sight extinction of AV=4.5+/-0.6 toward PMS stars in the cluster center. The interpretation of a binary candidate sequence suggests a single age of 1 Myr for NGC 3603 YC, providing evidence for a single burst of star formation without the need to employ an age spread in the PMS population, as argued for in earlier studies. Disk fractions are derived from L-band excesses, indicating a radial increase in the disk frequency from 20% to 40% from the core to the cluster outskirts. The low disk fraction in the cluster core, as compared to the 42% L-band excess fraction found for massive stars in the Trapezium cluster of a comparably young age, indicates strong photoevaporation in the cluster center. The estimated binary fraction of 30%, as well as the low disk fraction, suggest strong impacts on low-mass star formation due to stellar interactions in the dense starburst. The significant differences between NGC 3603 YC and less dense and massive young star clusters in the Milky Way reveal the importance of using local starbursts as templates for massive extragalactic star formation. Based on observations obtained at the ESO VLT on Paranal, Chile, under programs 63.I

  1. Molecular Simulations of Hydrated Proton Exchange Membranes: the Structure

    NASA Astrophysics Data System (ADS)

    Marchand, Gabriel; Bopp, Philippe A.; Spohr, Eckhard

    2013-02-01

    The structure of two hydrated proton exchange membranes for fuel cells (PEMFC), Nafion® (Dupont) and Hyflon® (Solvay), is studied by all-atom molecular dynamics (MD) computer simulations. Since the characteristic times of these systems are long compared to the times for which they can be simulated, several different, but equivalent, initial configurations with a large degree of randomness are generated for different water contents and then equilibrated and simulated in parallel. A more constrained structure, analog to the newest model proposed in the literature based on scattering experiments, is investigated in the same way. One might speculate that a limited degree of entanglement of the polymer chains is a key feature of the structures showing the best agreement with experiment. Nevertheless, the overall conclusion remains that the scattering experiments cannot distinguish between the several, in our view equally plausible, structural models. We thus find that the characteristic features of experimental scattering curves are, after equilibration, fairly well reproduced by all systems prepared with our method. We thus study in more detail some structural details. We attempt to characterize the spatial and size distribution of the water rich domains, which is where the proton diffusion mostly takes place, using several clustering algorithms.

  2. Molecular structure of uranium carbides: isomers of UC3.

    PubMed

    Zalazar, M Fernanda; Rayón, Víctor M; Largo, Antonio

    2013-03-21

    In this article, the most relevant isomers of uranium tricarbide are studied through quantum chemical methods. It is found that the most stable isomer has a fan geometry in which the uranium atom is bonded to a quasilinear C3 unit. Both, a rhombic and a ring CU(C2) structures are found about 104-125 kJ/mol higher in energy. Other possible isomers including linear geometries are located even higher. For each structure, we provide predictions for those molecular properties (vibrational frequencies, IR intensities, dipole moments) that could eventually help in their experimental detection. We also discuss the possible routes for the formation of the different UC3 isomers as well as the bonding situation by means of a topological analysis of the electron density.

  3. Crystal and molecular structures of new enantiopure quinuclidines.

    PubMed

    Kania, Iwona; Stadnicka, Katarzyna; Oleksyn, Barbara J

    2004-03-01

    X-ray crystal structure analysis was performed on single crystals of two diastereomeric enantiopure quinuclidines, (3R,8R)-3-vinyl-8-hydroxymethyl-quinuclidine (quincoridine, QCD) and (3R,8S)-3-vinyl-8-hydroxymethyl-quinuclidine (quincorine, QCI) as their salts with tartaric and p-toluenesulphonate anions, respectively. The molecules of these quinuclidine derivatives are considered here as fragments of the Cinchona alkaloids, quinidine and quinine. A comparison of the conformational features of QCD, QCI, and Cinchona alkaloids in the crystalline state shows that the molecular geometry of the title compounds is similar to that of threo-alkaloids (e.g., R,R isomer of epicinchonine) rather than to quinidine and quinine. The packing of the molecules in both structures is dominated by intermolecular hydrogen bonds.

  4. Starburst-Driven Winds May Have Created Giant "Lobe" in Galactic Center

    NASA Astrophysics Data System (ADS)

    2004-06-01

    An astronomer using the National Science Foundation's Robert C. Byrd Green Bank Telescope (GBT) has discovered that two prominent features rising out of the center of the Milky Way Galaxy are actually the distant edges of the same superstructure. This object, which has the appearance of a "lobe," may have been formed during an epoch of furious star formation. Lobe Galactic center radio image with lobe feature shown in outline. CREDIT: NRAO/AUI/NSF Yusef-Zadeh, et.al. (Click for Image w/o lines) Astronomer Casey Law of Northwestern University presented his results at the Denver, Colorado, meeting of the American Astronomical Society. "The center of our Galaxy is an incredibly dynamic place and morphologically very difficult to untangle" said Law. "Among the many features we see there, including supernova remnants, hot star-forming regions, and massive molecular clouds, are two very prominent columns of radio-emitting material that seem to erupt out of the plane of the Galaxy. The nature and origin of these features have been the subjects of much speculation, but with the new data from the Green Bank Telescope we're finally able to discern that they are in fact part of the same superstructure." Much of what we know about the center of our Galaxy has come from studies conducted on radio telescopes. The center of the Milky Way is, in fact, hidden from view to optical telescopes due to intervening clouds of dust and gas. Radio waves, however, are able to pass through the obscuring material and reveal details about the core of our Galaxy. Astronomers now know that this area of the Milky Way -- approximately 26,000 light-years from Earth -- is a densely packed region brimming with hot , young stars, supernova remnants, and more esoteric features -- like long radio-emitting filaments. At the center of it all is a remarkably radio-bright region known as Sagittarius A* (pronounced A-star), which is known to contain a supermassive black hole. Deciphering what all these

  5. Noninvasive structural, functional, and molecular imaging in drug development.

    PubMed

    Rudin, Markus

    2009-06-01

    Modern drug research is mechanism-based and the development of disease modifying therapies involves the identification of molecular key players in the pathological cascade. Today, noninvasive imaging tools enable the visualization and quantitative assessment of the expression of molecular targets, of their interaction with potential ligands, as well as of the functional consequence of this interaction at a molecular (e.g. activation of signaling cascades), cellular, metabolic, physiological, and morphological level in a temporo-spatially resolved manner. The ability to gather such information from the intact organism with all regulatory processes in place renders imaging highly attractive for the biomedical researcher and for the drug developer in particular. Molecular imaging is potentially capable of providing this information. Today, proof-of-principle has been established that imaging is in fact adding value to the drug discovery and development processes. Numerous studies have used structural and functional imaging readouts to document therapy efficacy, mainly during lead optimization. Similarly, major efforts have been devoted to the development and evaluation of imaging biomarkers that might serve as early readouts for therapy response with the potential of being used in the clinical drug evaluation thereby facilitating translational research. In this contribution, we illustrate the role and potential of imaging in modern drug discovery and development with selected examples. Yet, despite its huge potential the impact of imaging on drug discovery has been modest in the past; potential reasons will be discussed. Nevertheless, noninvasive imaging methods are rapidly evolving and it is beyond doubt that their importance for biomedical research will increase.

  6. On the Hydrodynamic Interplay Between a Young Nuclear Starburst and a Central Supermassive Black Hole

    NASA Astrophysics Data System (ADS)

    Hueyotl-Zahuantitla, Filiberto; Tenorio-Tagle, Guillermo; Wünsch, Richard; Silich, Sergiy; Palouš, Jan

    2010-06-01

    We present one-dimensional numerical simulations, which consider the effects of radiative cooling and gravity on the hydrodynamics of the matter reinserted by stellar winds and supernovae within young nuclear starbursts (NSBs) with a central supermassive black hole (SMBH). The simulations confirm our previous semi-analytic results for low-energetic starbursts, evolving in a quasi-adiabatic regime, and extend them to more powerful starbursts evolving in the catastrophic cooling regime. The simulations show a bimodal hydrodynamic solution in all cases. They present a quasi-stationary accretion flow onto the black hole, defined by the matter reinserted by massive stars within the stagnation volume and a stationary starburst wind, driven by the high thermal pressure acquired in the region between the stagnation and the starburst radii. In the catastrophic cooling regime, the stagnation radius rapidly approaches the surface of the starburst region, as one considers more massive starbursts. This leads to larger accretion rates onto the SMBH and concurrently to powerful winds able to inhibit interstellar matter from approaching the NSB. Our self-consistent model thus establishes a direct physical link between the SMBH accretion rate and the nuclear star formation activity of the host galaxy and provides a good upper limit to the accretion rate onto the central black hole.

  7. ON THE HYDRODYNAMIC INTERPLAY BETWEEN A YOUNG NUCLEAR STARBURST AND A CENTRAL SUPERMASSIVE BLACK HOLE

    SciTech Connect

    Hueyotl-Zahuantitla, Filiberto; Tenorio-Tagle, Guillermo; Silich, Sergiy; Wuensch, Richard; Palous, Jan

    2010-06-10

    We present one-dimensional numerical simulations, which consider the effects of radiative cooling and gravity on the hydrodynamics of the matter reinserted by stellar winds and supernovae within young nuclear starbursts (NSBs) with a central supermassive black hole (SMBH). The simulations confirm our previous semi-analytic results for low-energetic starbursts, evolving in a quasi-adiabatic regime, and extend them to more powerful starbursts evolving in the catastrophic cooling regime. The simulations show a bimodal hydrodynamic solution in all cases. They present a quasi-stationary accretion flow onto the black hole, defined by the matter reinserted by massive stars within the stagnation volume and a stationary starburst wind, driven by the high thermal pressure acquired in the region between the stagnation and the starburst radii. In the catastrophic cooling regime, the stagnation radius rapidly approaches the surface of the starburst region, as one considers more massive starbursts. This leads to larger accretion rates onto the SMBH and concurrently to powerful winds able to inhibit interstellar matter from approaching the NSB. Our self-consistent model thus establishes a direct physical link between the SMBH accretion rate and the nuclear star formation activity of the host galaxy and provides a good upper limit to the accretion rate onto the central black hole.

  8. Phenol-formaldehyde resins: A quantitative NMR study of molecular structure and molecular dynamics

    NASA Astrophysics Data System (ADS)

    Ottenbourgs, Benjamin Tony

    Phenol-formaldehyde (PF) resins have been the subject of this work. 13C liquid-state and solid-state NMR has been used to investigate the molecular structure of mainly novolak and partially of resole resins. 1H wideline in combination with 13C solid-state NMR relaxometry has been applied to study the curing and the molecular dynamics of phenolic resins. It was the intention to provide an insight in the relationship between resin composition, resin structure and subsequent resin properties (by means of the molecular dynamics). An improved 13C liquid-state NMR quantification technique of novolaks in THF-CDCl3 solutions is demonstrated. Full quantitative 13C liquid-state spectra of phenol-formaldehyde resins with high signal- to-noise ratio were obtained by using chromium acetylacetonate under optimized spectral conditions within a few hours spectrometer time. Attached proton test (APT) spectra enabled proper peak assignments in the region with significant overlap. For several novolaks, prepared under different catalytic conditions, the degree of polymerization, degree of branching, number average molecular weight, isomeric distribution, and the number of unreacted ortho and para phenol ring positions was determined with a reduced margin of error, by analyzing and integrating the 13C spectra. The power of 13C solid-state NMR in the analysis of cured PF resins is shown. Particular importance was ascribed to the question of the quantifiability of the experiments when it was desired to measure the degree of conversion by means of a 13C CP/MAS contact time study. The network structure present, and thus also the mechanical properties, is critically dependent upon the final degree of conversion obtained after curing. The degree of conversion, which depended on the cure conditions (cure temperature, cure pressure and cure time), was limited by vitrification as was demonstrated by DSC experiments. Changes in the spin-lattice relaxation time T 1H were observed, providing

  9. Micro structure processing on plastics by accelerated hydrogen molecular ions

    NASA Astrophysics Data System (ADS)

    Hayashi, H.; Hayakawa, S.; Nishikawa, H.

    2017-08-01

    A proton has 1836 times the mass of an electron and is the lightest nucleus to be used for accelerator in material modification. We can setup accelerator with the lowest acceleration voltage. It is preferable characteristics of Proton Beam Writer (PBW) for industrial applications. On the contrary ;proton; has the lowest charge among all nuclei and the potential impact to material is lowest. The object of this research is to improve productivity of the PBW for industry application focusing on hydrogen molecular ions. These ions are generated in the same ion source by ionizing hydrogen molecule. There is no specific ion source requested and it is suitable for industrial use. We demonstrated three dimensional (3D) multilevel micro structures on polyester base FPC (Flexible Printed Circuits) using proton, H2+ and H3+. The reactivity of hydrogen molecular ions is much higher than that of proton and coincident with the level of expectation. We can apply this result to make micro devices of 3D multilevel structures on FPC.

  10. Anti-cancer chalcones: Structural and molecular target perspectives.

    PubMed

    Mahapatra, Debarshi Kar; Bharti, Sanjay Kumar; Asati, Vivek

    2015-06-15

    Chalcone or (E)-1,3-diphenyl-2-propene-1-one scaffold remained a fascination among researchers in the 21st century due to its simple chemistry, ease of synthesis and a wide variety of promising biological activities. Several natural and (semi) synthetic chalcones have shown anti-cancer activity due to their inhibitory potential against various targets namely ABCG2/P-gp/BCRP, 5α-reductase, aromatase, 17-β-hydroxysteroid dehydrogenase, HDAC/Situin-1, proteasome, VEGF, VEGFR-2 kinase, MMP-2/9, JAK/STAT signaling pathways, CDC25B, tubulin, cathepsin-K, topoisomerase-II, Wnt, NF-κB, B-Raf and mTOR etc. In this review, a comprehensive study on molecular targets/pathways involved in carcinogenesis, mechanism of actions (MOAs), structure activity relationships (SARs) and patents granted have been highlighted. With the knowledge of molecular targets, structural insights and SARs, this review may be helpful for (medicinal) chemists to design more potent, safe, selective and cost effective anti-cancer chalcones.

  11. The molecular structure of waxy maize starch nanocrystals.

    PubMed

    Angellier-Coussy, Hélène; Putaux, Jean-Luc; Molina-Boisseau, Sonia; Dufresne, Alain; Bertoft, Eric; Perez, Serge

    2009-08-17

    The insoluble residues obtained by submitting amylopectin-rich native starch granules from waxy maize to a mild acid hydrolysis consist of polydisperse platelet nanocrystals that have retained the allomorphic type of the parent granules. The present investigation is a detailed characterization of their molecular composition. Two major groups of dextrins were found in the nanocrystals and were isolated. Each group was then structurally characterized using beta-amylase and debranching enzymes (isoamylase and pullulanase) in combination with anion-exchange chromatography. The chain lengths of the dextrins in both groups corresponded with the thickness of the crystalline lamellae in the starch granules. Only approximately 62 mol% of the group of smaller dextrins with an average degree of polymerization (DP) 12.2 was linear, whereas the rest consisted of branched dextrins. The group of larger dextrins (DP 31.7) apparently only consisted of branched dextrins, several of which were multiply branched molecules. It was shown that many of the branch linkages were resistant to the action of the debranching enzymes. The distribution of branched molecules in the two populations of dextrins suggested that the nanocrystals possessed a regular and principally homogeneous molecular structure.

  12. Structure, molecular evolution, and hydrolytic specificities of largemouth bass pepsins.

    PubMed

    Miura, Yoko; Suzuki-Matsubara, Mieko; Kageyama, Takashi; Moriyama, Akihiko

    2016-02-01

    The nucleotide sequences of largemouth bass pepsinogens (PG1, 2 and 3) were determined after molecular cloning of the respective cDNAs. Encoded PG1, 2 and 3 were classified as fish pepsinogens A1, A2 and C, respectively. Molecular evolutionary analyses show that vertebrate pepsinogens are classified into seven monophyletic groups, i.e. pepsinogens A, F, Y (prochymosins), C, B, and fish pepsinogens A and C. Regarding the primary structures, extensive deletion was obvious in S'1 loop residues in fish pepsin A as well as tetrapod pepsin Y. This deletion resulted in a decrease in hydrophobic residues in the S'1 site. Hydrolytic specificities of bass pepsins A1 and A2 were investigated with a pepsin substrate and its variants. Bass pepsins preferred both hydrophobic/aromatic residues and charged residues at the P'1 sites of substrates, showing the dual character of S'1 sites. Thermodynamic analyses of bass pepsin A2 showed that its activation Gibbs energy change (∆G(‡)) was lower than that of porcine pepsin A. Several sites of bass pepsin A2 moiety were found to be under positive selection, and most of them are located on the surface of the molecule, where they are involved in conformational flexibility. The broad S'1 specificity and flexible structure of bass pepsin A2 are thought to cause its high proteolytic activity.

  13. The Molecular Structure of a Phosphatidylserine Bilayer Determined by Scattering and Molecular Dynamics Simulations

    SciTech Connect

    Pan, Jianjun; Cheng, Xiaolin; Monticelli, Luca; Heberle, Frederick A; Kucerka, Norbert; Tieleman, D. Peter; Katsaras, John

    2014-01-01

    Phosphatidylserine (PS) lipids play essential roles in biological processes, including enzyme activation and apoptosis. We report on the molecular structure and atomic scale interactions of a fluid bilayer composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylserine (POPS). A scattering density profile model, aided by molecular dynamics (MD) simulations, was developed to jointly refine different contrast small-angle neutron and X-ray scattering data, which yielded a lipid area of 62.7 A2 at 25 C. MD simulations with POPS lipid area constrained at different values were also performed using all-atom and aliphatic united-atom models. The optimal simulated bilayer was obtained using a model-free comparison approach. Examination of the simulated bilayer, which agrees best with the experimental scattering data, reveals a preferential interaction between Na+ ions and the terminal serine and phosphate moieties. Long-range inter-lipid interactions were identified, primarily between the positively charged ammonium, and the negatively charged carboxylic and phosphate oxygens. The area compressibility modulus KA of the POPS bilayer was derived by quantifying lipid area as a function of surface tension from area-constrained MD simulations. It was found that POPS bilayers possess a much larger KA than that of neutral phosphatidylcholine lipid bilayers. We propose that the unique molecular features of POPS bilayers may play an important role in certain physiological functions.

  14. Teaching Structure-Property Relationships: Investigating Molecular Structure and Boiling Point

    ERIC Educational Resources Information Center

    Murphy, Peter M.

    2007-01-01

    A concise, well-organized table of the boiling points of 392 organic compounds has facilitated inquiry-based instruction in multiple scientific principles. Many individual or group learning activities can be derived from the tabulated data of molecular structure and boiling point based on the instructor's education objectives and the students'…

  15. Teaching Structure-Property Relationships: Investigating Molecular Structure and Boiling Point

    ERIC Educational Resources Information Center

    Murphy, Peter M.

    2007-01-01

    A concise, well-organized table of the boiling points of 392 organic compounds has facilitated inquiry-based instruction in multiple scientific principles. Many individual or group learning activities can be derived from the tabulated data of molecular structure and boiling point based on the instructor's education objectives and the students'…

  16. SALT/RSS Longslit Spectroscopy of the NGC 1140 Starburst

    NASA Astrophysics Data System (ADS)

    Burgh, Eric B.; Gallagher, J. S., III; Nordsieck, K. H.; Percival, J. W.; Smith, M. P.; O'Donoghue, D.; Buckley, D. A.; Loaring, N. S.

    2006-06-01

    We present a long-slit spectrum of the amorphous starbursting dwarf galaxy NGC 1140 taken by the Robert Stobie Spectrograph of the Southern African Large Telescope during its commissioning phase in November 2005. A 1.2 arcsecond wide longslit oriented along the major axis in conjunction with a volume phase holographic grating were used to produce a 800 Angstrom wide spectrum, centered on H-alpha, with a resolving power of 5500. Twelve minutes of data were obtained. Emission features from H-alpha, [NII], [SII] and HeI were observed. The peak of the emission features is observed to be 2 arcseconds north of the stellar continuum, consistent with HST imaging of the galaxy, and a bright knot of gas with a velocity offset of 100 km/s is detected about 18 arcseconds south of the continuum peak. The emission lines are well-resolved with FWHM 80-100 km/s in the inner galaxy, typical of intensely star-forming regions, while FWHM 100-140 km/s are seen in the outer galaxy, suggesting a possible galactic wind. The complex velocity field is consistent with the merger model for NGC 1140. The intensity ratio of the [SII] doublet, 6717/6731 is 1.3, indicating a low electron density, and thus modest thermal pressure despite the galaxy's starburst status. The H-alpha/[SII] ratio, which is an indicator of the presence of shocks,varies along the slit with a maximum of 8 at the peak of the gaseous emission and dropping to nearly 2 at the edges of the galaxy, with a value of 3 for the offset knot of gas. Thus shocks could play a role in the outer galaxy, while the knot is more likely a star forming region. We interpret our results in the context of a starburst induced by the merger of two low mass galaxies, as previously discussed by Hunter et al. (1994, ApJS, 91, 79).

  17. Electronic and Magnetic Structure of Octahedral Molecular Sieves

    NASA Astrophysics Data System (ADS)

    Morey-Oppenheim, Aimee M.

    The major part of this research consists of magnetic and electronic studies of metal doped cryptomelane-type manganese oxide octahedral molecular sieves (KOMS-2). The second part of this study involves the magnetic characterization of cobalt doped MCM-41 before and after use in the synthesis of single walled carbon nanotubes. Manganese oxides have been used widely as bulk materials in catalysis, chemical sensors, and batteries due to the wide range of possible stable oxidation states. The catalytic function of manganese oxides is further tuned by doping the material with numerous transition metals. It is of particular interest the oxidation states of Mn present after doping. New titrations to determine the oxidation state of Mn were investigated. To further examine the structure of KOMS-2, the magnetic contribution of dopant metals was also examined. The KOMS-2 structure having both diamagnetic and paramagnetic metal ions substitutions was studied. MCM-41 with the incorporation of cobalt into the structure was analyzed for its magnetic properties. The material undergoes significant structural change during the synthesis of single walled carbon nanotubes. It was the focus of this portion of the research to do a complete magnetic profile of both the before and after reaction material.

  18. Maintain rigid structures in Verlet based cartesian molecular dynamics simulations.

    PubMed

    Tao, Peng; Wu, Xiongwu; Brooks, Bernard R

    2012-10-07

    An algorithm is presented to maintain rigid structures in Verlet based cartesian molecular dynamics (MD) simulations. After each unconstrained MD step, the coordinates of selected particles are corrected to maintain rigid structures through an iterative procedure of rotation matrix computation. This algorithm, named as SHAPE and implemented in CHARMM program suite, avoids the calculations of Lagrange multipliers, so that the complexity of computation does not increase with the number of particles in a rigid structure. The implementation of this algorithm does not require significant modification of propagation integrator, and can be plugged into any cartesian based MD integration scheme. A unique feature of the SHAPE method is that it is interchangeable with SHAKE for any object that can be constrained as a rigid structure using multiple SHAKE constraints. Unlike SHAKE, the SHAPE method can be applied to large linear (with three or more centers) and planar (with four or more centers) rigid bodies. Numerical tests with four model systems including two proteins demonstrate that the accuracy and reliability of the SHAPE method are comparable to the SHAKE method, but with much more applicability and efficiency.

  19. The Density and Molecular Column Density Structure of Three Molecular Cloud Cores

    NASA Astrophysics Data System (ADS)

    Mundy, Lee George

    Multi-transition studies using CS, C('34)S, and H(,2)CO are presented for the dense cores in the molecular clouds M17, S140, and NGC 2024. The typical peak density derived for these cores is -10('6) cm('-3), much larger than the average density in molecular clouds, but the gas density is not strongly correlated with the line intensities within the core itself. A map of line intensity appears to be a map of molecular column density whereas the gas density is evident in the ratios of intensities of different lines. Although the data do not have the spatial resolution to directly "see" clumps in the core, statistical equilibrium modeling of the data does provide evidence for an inhomogeneous distribution of the dense gas within the telescope beam. Many aspects of the data can best be explained by a model in which the gas with density > 10('5) cm('-3) is distributed in numerous small (< 1 are minmute) clumps. In the context of this model, the molecular column density structure of the core is caused by a decrease in the number density of clumps with increasing radial distance from the center of the core. The large number of observed transitions in the three molecules also allows us to evaluate the effectiveness of the individual molecules as density probes. We find that the gas densities derived from CS, C('34)S, and H(,2)CO are in reasonable agreement and present guidelines for future use of these molecules as density probes.

  20. Drug Repositioning by Kernel-Based Integration of Molecular Structure, Molecular Activity, and Phenotype Data

    PubMed Central

    Wang, Yongcui; Chen, Shilong; Deng, Naiyang; Wang, Yong

    2013-01-01

    Computational inference of novel therapeutic values for existing drugs, i.e., drug repositioning, offers the great prospect for faster and low-risk drug development. Previous researches have indicated that chemical structures, target proteins, and side-effects could provide rich information in drug similarity assessment and further disease similarity. However, each single data source is important in its own way and data integration holds the great promise to reposition drug more accurately. Here, we propose a new method for drug repositioning, PreDR (Predict Drug Repositioning), to integrate molecular structure, molecular activity, and phenotype data. Specifically, we characterize drug by profiling in chemical structure, target protein, and side-effects space, and define a kernel function to correlate drugs with diseases. Then we train a support vector machine (SVM) to computationally predict novel drug-disease interactions. PreDR is validated on a well-established drug-disease network with 1,933 interactions among 593 drugs and 313 diseases. By cross-validation, we find that chemical structure, drug target, and side-effects information are all predictive for drug-disease relationships. More experimentally observed drug-disease interactions can be revealed by integrating these three data sources. Comparison with existing methods demonstrates that PreDR is competitive both in accuracy and coverage. Follow-up database search and pathway analysis indicate that our new predictions are worthy of further experimental validation. Particularly several novel predictions are supported by clinical trials databases and this shows the significant prospects of PreDR in future drug treatment. In conclusion, our new method, PreDR, can serve as a useful tool in drug discovery to efficiently identify novel drug-disease interactions. In addition, our heterogeneous data integration framework can be applied to other problems. PMID:24244318

  1. Molecular structural characteristics as determinants of estrogen receptor selectivity.

    PubMed

    Agatonovic-Kustrin, S; Turner, J V; Glass, B D

    2008-09-29

    Recent reports that a wide variety of natural and man-made compounds are capable of competing with natural hormones for estrogen receptors serve as timely examples of the need to advance screening techniques to support human health and ascertain ecological risk. Quantitative structure-activity relationships (QSARs) can potentially serve as screening tools to identify and prioritize untested compounds for further empirical evaluations. Computer-based QSAR molecular models have been used to describe ligand-receptor interactions and to predict chemical structures that possess desired pharmacological characteristics. These have recently included combined and differential relative binding affinities of potential estrogenic compounds at estrogen receptors (ER) alpha and beta. In the present study, artificial neural network (ANN) QSAR models were developed that were able to predict differential relative binding affinities of a series of structurally diverse compounds with estrogenic activity. The models were constructed with a dataset of 93 compounds and tested with an additional dataset of 30 independent compounds. High training correlations (r2=0.83-0.91) were observed while validation results for the external compounds were encouraging (r2=0.62-0.86). The models were used to identify structural features of phytoestrogens that are responsible for selective ligand binding to ERalpha and ERbeta. Numerous structural characteristics are required for complexation with receptors. In particular, size, shape and polarity of ligands, heterocyclic rings, lipophilicity, hydrogen bonding, presence of quaternary carbon atom, presence, position, length and configuration of a bulky side chain, were identified as the most significant structural features responsible for selective binding to ERalpha and ERbeta.

  2. Mathematical analysis of compressive/tensile molecular and nuclear structures

    NASA Astrophysics Data System (ADS)

    Wang, Dayu

    Mathematical analysis in chemistry is a fascinating and critical tool to explain experimental observations. In this dissertation, mathematical methods to present chemical bonding and other structures for many-particle systems are discussed at different levels (molecular, atomic, and nuclear). First, the tetrahedral geometry of single, double, or triple carbon-carbon bonds gives an unsatisfying demonstration of bond lengths, compared to experimental trends. To correct this, Platonic solids and Archimedean solids were evaluated as atoms in covalent carbon or nitrogen bond systems in order to find the best solids for geometric fitting. Pentagonal solids, e.g. the dodecahedron and icosidodecahedron, give the best fit with experimental bond lengths; an ideal pyramidal solid which models covalent bonds was also generated. Second, the macroscopic compression/tension architectural approach was applied to forces at the molecular level, considering atomic interactions as compressive (repulsive) and tensile (attractive) forces. Two particle interactions were considered, followed by a model of the dihydrogen molecule (H2; two protons and two electrons). Dihydrogen was evaluated as two different types of compression/tension structures: a coaxial spring model and a ring model. Using similar methods, covalent diatomic molecules (made up of C, N, O, or F) were evaluated. Finally, the compression/tension model was extended to the nuclear level, based on the observation that nuclei with certain numbers of protons/neutrons (magic numbers) have extra stability compared to other nucleon ratios. A hollow spherical model was developed that combines elements of the classic nuclear shell model and liquid drop model. Nuclear structure and the trend of the "island of stability" for the current and extended periodic table were studied.

  3. Molecular Clouds in the North American and Pelican Nebulae: Structures

    NASA Astrophysics Data System (ADS)

    Zhang, Shaobo; Xu, Ye; Yang, Ji

    2014-03-01

    We present observations of a 4.25 deg2 area toward the North American and Pelican Nebulae in the J = 1-0 transitions of 12CO, 13CO, and C18O. Three molecules show different emission areas with their own distinct structures. These different density tracers reveal several dense clouds with a surface density of over 500 M ⊙ pc-2 and a mean H2 column density of 5.8, 3.4, and 11.9 × 1021 cm-2 for 12CO, 13CO, and C18O, respectively. We obtain a total mass of 5.4 × 104 M ⊙ (12CO), 2.0 × 104 M ⊙ (13CO), and 6.1 × 103 M ⊙ (C18O) in the complex. The distribution of excitation temperature shows two phases of gas: cold gas (~10 K) spreads across the whole cloud; warm gas (>20 K) outlines the edge of the cloud heated by the W80 H II region. The kinetic structure of the cloud indicates an expanding shell surrounding the ionized gas produced by the H II region. There are six discernible regions in the cloud: the Gulf of Mexico, Caribbean Islands and Sea, and Pelican's Beak, Hat, and Neck. The areas of 13CO emission range within 2-10 pc2 with mass of (1-5) × 103 M ⊙ and line width of a few km s-1. The different line properties and signs of star-forming activity indicate they are in different evolutionary stages. Four filamentary structures with complicated velocity features are detected along the dark lane in LDN 935. Furthermore, a total of 611 molecular clumps within the 13CO tracing cloud are identified using the ClumpFind algorithm. The properties of the clumps suggest that most of the clumps are gravitationally bound and at an early stage of evolution with cold and dense molecular gas.

  4. Westerlund 1: monolithic formation of a starburst cluster

    NASA Astrophysics Data System (ADS)

    Negueruela, Ignacio; Clark, J. Simon; Ritchie, Ben W.; Goodwin, Simon P.

    2017-03-01

    Westerlund 1 is in all likelihood the most massive young cluster in the Milky Way, with a mass on the order of 105 M ⊙. To determine its bulk properties we have made multi-epoch radial velocity measurements for a substantial fraction of its OB stars and evolved supergiants and obtained multi-object spectroscopy of candidate cluster members in its locale. The results of these two studies show that Westerlund 1 is apparently subvirial and appears completely isolated, with hardly any massive star in its vicinity that could be associated with it in terms of distance modulus or radial velocity. The cluster halo does not extend much further than five parsec away from the centre. All these properties are very unusual among starburst clusters in the Local Universe, which tend to form in the context of large star-forming regions.

  5. Extragalactic Chemistry of Starbursts: the Case of M82

    NASA Astrophysics Data System (ADS)

    Usero, A.; García-Burillo, S.

    2003-09-01

    The study of Chemistry in External Galaxies has been made possible since the advent of last generation millimeter telescopes/interferometers. Going beyond CO maps is key to study the evolutionary path of massive star formation episodes in galaxies. We present here the results obtained from a high-resolution (~5'') study made in the nucleus of the starburst galaxy M82, based on observations of the silicon monoxide (SiO) and the formyl radical (HCO) species. Observations have been carried out with the IRAM Plateau de Bure interferometer. SiO and HCO are privileged tracers of shock chemistry and photon-dominated regions (PDR) environments, respectively. These maps show a sharp picture of the heavy influence of the star formation episode on the properties of the interstellar medium in M82.

  6. Radio identifications of UGC galaxies - starbursts and monsters

    SciTech Connect

    Condon, J.J.; Broderick, J.J.

    1988-07-01

    New and previously published observational data on galaxies with declination less than +82 deg from the Uppsala General Catalog (Nilson, 1973) are compiled in extensive tables and characterized in detail. Optical positions are confirmed by measurement of Palomar Sky Survey O prints, and radio identifications for 176 galaxies are made on the basis of 1.4-GHz Green Bank sky maps or 1.49-GHz observations obtained with the C configuration of the VLA in November-December 1986; contour maps based on the latter observations are provided. Radio-selected and IR-selected galaxy populations are found to be similar (and distinct from optically selected populations), and three radio/IR criteria are developed to distinguish galaxies powered by starbursts from those with supermassive black holes or other monster energy sources. 197 references.

  7. The ULX Population in the Starburst Galaxy NGC 253

    NASA Technical Reports Server (NTRS)

    Weaver, K. A.; Heckman, T. M.; Strickland, D. K.

    2004-01-01

    Optimism is mounting for the existence of intermediate mass black holes (IMBH), which occupy the mass spectrum somewhere between the stellar-mass and supermassive varieties. IMBH are naturally predicted by theoretical stellar and black hole evolution models, but the strong attention to them began only recently with the discovery of ultraluminous x-ray sources (ULX). If isotropic and accreting normally, ULX have luminosities tens to thousands of times greater than the Eddington luminosity of a neutron star or stellar-mass black hole. A standard interpretation of their x-ray flux implies that they are powered by IMBH. On the other hand, they may be stellar-mass black holes that are beamed or emit anisotropically. Therefore, the exact nature of ULX is highly controversial. ULX are common in starburst galaxies. At a distance of only 3 Mpc, NGC 253 is bright, nearby, and one of the best-studied starburst galaxies. Approximately 50 distinct x-ray point sources are detected in or near the plane of the galaxy. At least six of these are ULX, with luminosities greater than 10 times that expected for a stellar-mass, accreting compact object. We present new Chandra data from an 80 ksec observation of NGC 253 obtained in 2003 that provides high quality spectra of these sources. Comparing the 1999 and 2003 Chandra observations, the sources have varied significantly over the course of four years, with one of the ULX disappearing completely. The ULX spectra are similar to black-hole XRBs and at least one appears to possess an iron K line. We will discuss what insight these data provide for the nature of ULX in NGC 253 .

  8. Westerlund 1: monolithic formation of a starburst cluster

    NASA Astrophysics Data System (ADS)

    Negueruela, Ignacio; Clark, J. Simon; Ritchie, Ben; Goodwin, Simon

    2015-08-01

    Westerlund 1 is in all likelihood the most massive young cluster in the Milky Way, with a mass on the order of 105 Msol. We have been observing its massive star population for ten years, measuring radial velocity changes for a substantial fraction of its OB stars and evolved supergiants. The properties of the evolved population are entirely consisting with a single burst of star formation, in excellent agreement with the results of studies based on the lower-mass population.Here we will present two new studies of the cluster: 1) A direct measurement of its average radial velocity and velocity dispersion based on individual measurements for several dozen stars with constant radial velocity and 2) A search for massive stars in its immediate neighbourhood using multi-object spectroscopy.The results of these two studies show that Westerlund 1 is decidedly subvirial and has a systemic radial velocity significantly different from that of nearby gas, which was assumed to provide a dynamical distance by previous authors. Moreover, the dynamical distance is inconsistent with the properties of the high-mass stellar population. In addition, we find that the cluster is completely isolated, with hardly any massive star in its vicinity that could be associated in terms of distance modulus or radial velocity. The cluster halo does not extend much further than five parsec away from the centre. All these properties are very unusual among starburst clusters in the Local Universe, which tend to form in the context of large star-forming regions.Westerlund 1 is thus the best example we have of a starburst cluster formed monolithically.

  9. The ULX Population in the Starburst Galaxy NGC 253

    NASA Technical Reports Server (NTRS)

    Weaver, K. A.; Heckman, T. M.; Strickland, D. K.

    2004-01-01

    Optimism is mounting for the existence of intermediate mass black holes (IMBH), which occupy the mass spectrum somewhere between the stellar-mass and supermassive varieties. IMBH are naturally predicted by theoretical stellar and black hole evolution models, but the strong attention to them began only recently with the discovery of ultraluminous x-ray sources (ULX). If isotropic and accreting normally, ULX have luminosities tens to thousands of times greater than the Eddington luminosity of a neutron star or stellar-mass black hole. A standard interpretation of their x-ray flux implies that they are powered by IMBH. On the other hand, they may be stellar-mass black holes that are beamed or emit anisotropically. Therefore, the exact nature of ULX is highly controversial. ULX are common in starburst galaxies. At a distance of only 3 Mpc, NGC 253 is bright, nearby, and one of the best-studied starburst galaxies. Approximately 50 distinct x-ray point sources are detected in or near the plane of the galaxy. At least six of these are ULX, with luminosities greater than 10 times that expected for a stellar-mass, accreting compact object. We present new Chandra data from an 80 ksec observation of NGC 253 obtained in 2003 that provides high quality spectra of these sources. Comparing the 1999 and 2003 Chandra observations, the sources have varied significantly over the course of four years, with one of the ULX disappearing completely. The ULX spectra are similar to black-hole XRBs and at least one appears to possess an iron K line. We will discuss what insight these data provide for the nature of ULX in NGC 253 .

  10. Modeling Mid-infrared Diagnostics of Obscured Quasars and Starbursts

    NASA Astrophysics Data System (ADS)

    Snyder, Gregory F.; Hayward, Christopher C.; Sajina, Anna; Jonsson, Patrik; Cox, Thomas J.; Hernquist, Lars; Hopkins, Philip F.; Yan, Lin

    2013-05-01

    We analyze the link between active galactic nuclei (AGNs) and mid-infrared flux using dust radiative transfer calculations of starbursts realized in hydrodynamical simulations. Focusing on the effects of galaxy dust, we evaluate diagnostics commonly used to disentangle AGN and star formation in ultraluminous infrared galaxies (ULIRGs). We examine these quantities as a function of time, viewing angle, dust model, AGN spectrum, and AGN strength in merger simulations representing two possible extremes of the ULIRG population: one is a typical gas-rich merger at z ~ 0, and the other is characteristic of extremely obscured starbursts at z ~ 2-4. This highly obscured burst begins star-formation-dominated with significant polycyclic aromatic hydrocarbon (PAH) emission, and ends with a ~109 yr period of red near-IR colors. At coalescence, when the AGN is most luminous, dust obscures the near-infrared AGN signature, reduces the relative emission from PAHs, and enhances the 9.7 μm absorption by silicate grains. Although generally consistent with previous interpretations, our results imply none of these indicators can unambiguously estimate the AGN luminosity fraction in all cases. Motivated by the simulations, we show that a combination of the extinction feature at 9.7 μm, the PAH strength, and a near-infrared slope can simultaneously constrain the AGN fraction and dust grain distribution for a wide range of obscuration. We find that this indicator, accessible to the James Webb Space Telescope, may estimate the AGN power as tightly as the hard X-ray flux alone, thereby providing a valuable future cross-check and constraint for large samples of distant ULIRGs.

  11. MODELING MID-INFRARED DIAGNOSTICS OF OBSCURED QUASARS AND STARBURSTS

    SciTech Connect

    Snyder, Gregory F.; Jonsson, Patrik; Hernquist, Lars; Hayward, Christopher C.; Sajina, Anna; Cox, Thomas J.; Hopkins, Philip F.; Yan Lin

    2013-05-10

    We analyze the link between active galactic nuclei (AGNs) and mid-infrared flux using dust radiative transfer calculations of starbursts realized in hydrodynamical simulations. Focusing on the effects of galaxy dust, we evaluate diagnostics commonly used to disentangle AGN and star formation in ultraluminous infrared galaxies (ULIRGs). We examine these quantities as a function of time, viewing angle, dust model, AGN spectrum, and AGN strength in merger simulations representing two possible extremes of the ULIRG population: one is a typical gas-rich merger at z {approx} 0, and the other is characteristic of extremely obscured starbursts at z {approx} 2-4. This highly obscured burst begins star-formation-dominated with significant polycyclic aromatic hydrocarbon (PAH) emission, and ends with a {approx}10{sup 9} yr period of red near-IR colors. At coalescence, when the AGN is most luminous, dust obscures the near-infrared AGN signature, reduces the relative emission from PAHs, and enhances the 9.7 {mu}m absorption by silicate grains. Although generally consistent with previous interpretations, our results imply none of these indicators can unambiguously estimate the AGN luminosity fraction in all cases. Motivated by the simulations, we show that a combination of the extinction feature at 9.7 {mu}m, the PAH strength, and a near-infrared slope can simultaneously constrain the AGN fraction and dust grain distribution for a wide range of obscuration. We find that this indicator, accessible to the James Webb Space Telescope, may estimate the AGN power as tightly as the hard X-ray flux alone, thereby providing a valuable future cross-check and constraint for large samples of distant ULIRGs.

  12. Galactic Starburst NGC 3603 from X-Rays to Radio

    NASA Technical Reports Server (NTRS)

    Moffat, A. F. J.; Corcoran, M. F.; Stevens, I. R.; Skalkowski, G.; Marchenko, S. V.; Muecke, A.; Ptak, A.; Koribalski, B. S.; Brenneman, L.; Mushotzky, R.; White, Nicholas E. (Technical Monitor)

    2002-01-01

    NGC 3603 is the most massive and luminous visible starburst region in the Galaxy. We present the first Chandra/ACIS-I X-ray image and spectra of this dense, exotic object, accompanied by deep cm-wavelength ATCA radio image at similar or less than 1 inch spatial resolution, and HST/ground-based optical data. At the S/N greater than 3 level, Chandra detects several hundred X-ray point sources (compared to the 3 distinct sources seen by ROSAT). At least 40 of these sources are definitely associated with optically identified cluster O and WR type members, but most are not. A diffuse X-ray component is also seen out to approximately 2 feet (4 pc) form the center, probably arising mainly from the large number of merging/colliding hot stellar winds and/or numerous faint cluster sources. The point-source X-ray fluxes generally increase with increasing bolometric brightnesses of the member O/WR stars, but with very large scatter. Some exceptionally bright stellar X-ray sources may be colliding wind binaries. The radio image shows (1) two resolved sources, one definitely non-thermal, in the cluster core near where the X-ray/optically brightest stars with the strongest stellar winds are located, (2) emission from all three known proplyd-like objects (with thermal and non-thermal components, and (3) many thermal sources in the peripheral regions of triggered star-formation. Overall, NGC 3603 appears to be a somewhat younger and hotter, scaled-down version of typical starbursts found in other galaxies.

  13. HUBBLE SPACE TELESCOPE IMAGING OF POST-STARBURST QUASARS

    SciTech Connect

    Cales, S. L.; Brotherton, M. S.; Shang Zhaohui; Bennert, Vardha Nicola; Canalizo, G.; Stoll, R.; Ganguly, R.; Vanden Berk, D.; Paul, C.; Diamond-Stanic, A. E-mail: mbrother@uwyo.edu E-mail: bennert@physics.ucsb.edu E-mail: stoll@astronomy.ohio-state.edu E-mail: daniel.vandenberk@email.stvincent.edu E-mail: aleks@ucsd.edu

    2011-11-10

    We present images of 29 post-starburst quasars (PSQs) from a Hubble Space Telescope (HST) Advanced Camera for Surveys (ACS) Wide Field Channel Snapshot program. These broadlined active galactic nuclei (AGNs) possess the spectral signatures of massive (M{sub burst} {approx} 10{sup 10} M{sub sun}), moderate-aged stellar populations (hundreds of Myr). Thus, their composite nature provides insight into the AGN-starburst connection. We measure quasar-to-host galaxy light contributions via semi-automated two-dimensional light profile fits of point-spread-function-subtracted images. We examine the host morphologies and model the separate bulge and disk components. The HST/ACS-F606W images reveal an equal number of spiral (13/29) and early-type (13/29) hosts, with the remaining three hosts having indeterminate classifications. AGNs hosted by early-type galaxies have on average greater luminosity than those hosted by spiral galaxies. Disturbances such as tidal tails, shells, star-forming knots, and asymmetries are seen as signposts of interaction/merger activity. Disturbances like these were found in 17 of the 29 objects and are evenly distributed among early-type and spiral galaxies. Two of these systems are clearly merging with their companions. Compared to other AGNs of similar luminosity and redshift, these PSQs have a higher fraction of early-type hosts and disturbances. Our most luminous objects with disturbed early-type host galaxies appear to be consistent with merger products. Thus, these luminous galaxies may represent a phase in an evolutionary scenario for merger-driven activity. Our less luminous objects appear to be consistent with Seyfert galaxies not requiring triggering by major mergers. Many of these Seyferts are barred spiral galaxies.

  14. Physics Based Protein Structure Refinement through Multiple Molecular Dynamics Trajectories and Structure Averaging

    PubMed Central

    Mirjalili, Vahid; Noyes, Keenan; Feig, Michael

    2014-01-01

    We used molecular dynamics (MD) simulations for structure refinement of CASP10 targets. Refinement was achieved by selecting structures from the MD-based ensembles followed by structural averaging. The overall performance of this method in CASP10 is described and specific aspects are analyzed in detail to provide insight into key components. In particular, the use of different restraint types, sampling from multiple short simulations vs. a single long simulation, the success of a quality assessment criterion, the application of scoring vs. averaging, and the impact of a final refinement step are discussed in detail. PMID:23737254

  15. The NGC 1614 interacting galaxy. Molecular gas feeding a "ring of fire"

    NASA Astrophysics Data System (ADS)

    König, S.; Aalto, S.; Muller, S.; Beswick, R. J.; Gallagher, J. S.

    2013-05-01

    Minor mergers frequently occur between giant and gas-rich low-mass galaxies and can provide significant amounts of interstellar matter to refuel star formation and power active galactic nuclei (AGN) in the giant systems. Major starbursts and/or AGN result when fresh gas is transported and compressed in the central regions of the giant galaxy. This is the situation in the starburst minor merger NGC 1614, whose molecular medium we explore at half-arcsecond angular resolution through our observations of 12CO (2-1) emission using the Submillimeter Array (SMA). We compare our 12CO (2-1) maps with optical and Paα, Hubble Space Telescope and high angular resolution radio continuum images to study the relationships between dense molecular gas and the NGC 1614 starburst region. The most intense 12CO emission occurs in a partial ring with ~230 pc radius around the center of NGC 1614, with an extension to the northwest into the dust lane that contains diffuse molecular gas. We resolve ten giant molecular associations (GMAs) in the ring, which has an integrated molecular mass of ~8 × 108 M⊙. Our interferometric observations filter out a large part of the 12CO (1-0) emission mapped at shorter spacings, indicating that most of the molecular gas is diffuse and that GMAs only exist near and within the circumnuclear ring. The molecular ring is uneven with most of the mass on the western side, which also contains GMAs extending into a pronounced tidal dust lane. The spatial and kinematic patterns in our data suggest that the northwest extension of the ring is a cosmic umbilical cord that is feeding molecular gas associated with the dust lane and tidal debris into the nuclear ring, which contains the bulk of the starburst activity. The astrophysical process for producing a ring structure for the final resting place of accreted gas in NGC 1614 is not fully understood, but the presence of numerous GMAs suggests an orbit-crowding or resonance phenomenon. There is some evidence that

  16. Structured illumination microscopy for vibrational molecular imaging (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Watanabe, Kozue; Palonpon, Almar F.; Smith, Nicholas I.; Chiu, Liang-da; Kasai, Atsushi; Hashimoto, Hitoshi; Kawata, Satoshi; Fujita, Katsumasa

    2016-09-01

    Raman microscopy is a powerful tool for analytical imaging. The wavelength shift of Raman scattering corresponds to molecular vibrational energy. Therefore, we can access rich chemical information, such as distribution, concentration, and chemical environment of sample molecules. Despite these strengths of Raman microscopy, the spatial resolution has been a limiting factor for many practical applications. In this study, we developed a large-area, high-resolution Raman microscope by utilizing structured illumination microscopy (SIM) to overcome the spatial resolution limit. A structured line-illumination (SLI) Raman microscope was constructed. The structured illumination is introduced along the line direction by the interference of two line-shaped beams. In SIM, the spatial frequency mixing between structured illumination and Raman scattering from the sample allows access to the high spatial frequency information beyond the conventional cut-off. As a result, the FWHM of 40-nm fluorescence particle images showed a clear resolution enhancement in the line direction: 366 nm in LI and 199 nm in SLI microscope. Using the developed microscope, we successfully demonstrated high-resolution Raman imaging of various kinds of specimens, such as few-layer graphene, graphite, mouse brain tissue, and polymer nanoparticles. The high resolution Raman images showed the capability to extract original spectral features from the mixed Raman spectra of a multi-component sample because of the enhanced spatial resolution, which is advantageous in observing complex spectral features. The Raman microscopy technique reported here enables us to see the detailed chemical structures of chemical, biological, and medical samples with a spatial resolution smaller than 200 nm.

  17. Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations

    SciTech Connect

    Mehere, P.; Robinson, H.; Han, Q.; Lemkul, J. A.; Vavricka, C. J.; Bevan, D. R.; Li, J.

    2010-11-01

    Tyrosine aminotransferase (TAT) catalyzes the transamination of tyrosine and other aromatic amino acids. The enzyme is thought to play a role in tyrosinemia type II, hepatitis and hepatic carcinoma recovery. The objective of this study is to investigate its biochemical and structural characteristics and substrate specificity in order to provide insight regarding its involvement in these diseases. Mouse TAT (mTAT) was cloned from a mouse cDNA library, and its recombinant protein was produced using Escherichia coli cells and purified using various chromatographic techniques. The recombinant mTAT is able to catalyze the transamination of tyrosine using {alpha}-ketoglutaric acid as an amino group acceptor at neutral pH. The enzyme also can use glutamate and phenylalanine as amino group donors and p-hydroxy-phenylpyruvate, phenylpyruvate and alpha-ketocaproic acid as amino group acceptors. Through macromolecular crystallography we have determined the mTAT crystal structure at 2.9 {angstrom} resolution. The crystal structure revealed the interaction between the pyridoxal-5'-phosphate cofactor and the enzyme, as well as the formation of a disulphide bond. The detection of disulphide bond provides some rational explanation regarding previously observed TAT inactivation under oxidative conditions and reactivation of the inactive TAT in the presence of a reducing agent. Molecular dynamics simulations using the crystal structures of Trypanosoma cruzi TAT and human TAT provided further insight regarding the substrate-enzyme interactions and substrate specificity. The biochemical and structural properties of TAT and the binding of its cofactor and the substrate may help in elucidation of the mechanism of TAT inhibition and activation.

  18. Tyrosine Aminotransferase: Biochemical and Structural Properties and Molecular Dynamics Simulations

    SciTech Connect

    P Mehere; Q Han; J Lemkul; C Vavricka; H Robinson; D Bevan; J Li

    2011-12-31

    Tyrosine aminotransferase (TAT) catalyzes the transamination of tyrosine and other aromatic amino acids. The enzyme is thought to play a role in tyrosinemia type II, hepatitis and hepatic carcinoma recovery. The objective of this study is to investigate its biochemical and structural characteristics and substrate specificity in order to provide insight regarding its involvement in these diseases. Mouse TAT (mTAT) was cloned from a mouse cDNA library, and its recombinant protein was produced using Escherichia coli cells and purified using various chromatographic techniques. The recombinant mTAT is able to catalyze the transamination of tyrosine using {alpha}-ketoglutaric acid as an amino group acceptor at neutral pH. The enzyme also can use glutamate and phenylalanine as amino group donors and p-hydroxy-phenylpyruvate, phenylpyruvate and alpha-ketocaproic acid as amino group acceptors. Through macromolecular crystallography we have determined the mTAT crystal structure at 2.9 {angstrom} resolution. The crystal structure revealed the interaction between the pyridoxal-5'-phosphate cofactor and the enzyme, as well as the formation of a disulphide bond. The detection of disulphide bond provides some rational explanation regarding previously observed TAT inactivation under oxidative conditions and reactivation of the inactive TAT in the presence of a reducing agent. Molecular dynamics simulations using the crystal structures of Trypanosoma cruzi TAT and human TAT provided further insight regarding the substrate-enzyme interactions and substrate specificity. The biochemical and structural properties of TAT and the binding of its cofactor and the substrate may help in elucidation of the mechanism of TAT inhibition and activation.

  19. Transmission electron microscopy in molecular structural biology: A historical survey.

    PubMed

    Harris, J Robin

    2015-09-01

    In this personal, historic account of macromolecular transmission electron microscopy (TEM), published data from the 1940s through to recent times is surveyed, within the context of the remarkable progress that has been achieved during this time period. The evolution of present day molecular structural biology is described in relation to the associated biological disciplines. The contribution of numerous electron microscope pioneers to the development of the subject is discussed. The principal techniques for TEM specimen preparation, thin sectioning, metal shadowing, negative staining and plunge-freezing (vitrification) of thin aqueous samples are described, with a selection of published images to emphasise the virtues of each method. The development of digital image analysis and 3D reconstruction is described in detail as applied to electron crystallography and reconstructions from helical structures, 2D membrane crystals as well as single particle 3D reconstruction of icosahedral viruses and macromolecules. The on-going development of new software, algorithms and approaches is highlighted before specific examples of the historical progress of the structural biology of proteins and viruses are presented.

  20. Towards a molecular description of intermediate filament structure and assembly

    SciTech Connect

    Parry, David A.D.; Strelkov, Sergei V.; Burkhard, Peter; Aebi, Ueli; Herrmann, Harald . E-mail: h.herrmann@dkfz.de

    2007-06-10

    Intermediate filaments (IFs) represent one of the prominent cytoskeletal elements of metazoan cells. Their constituent proteins are coded by a multigene family, whose members are expressed in complex patterns that are controlled by developmental programs of differentiation. Hence, IF proteins found in epidermis differ significantly from those in muscle or neuronal tissues. Due to their fibrous nature, which stems from a fairly conserved central {alpha}-helical coiled-coil rod domain, IF proteins have long resisted crystallization and thus determination of their atomic structure. Since they represent the primary structural elements that determine the shape of the nucleus and the cell more generally, a major challenge is to arrive at a more rational understanding of how their nanomechanical properties effect the stability and plasticity of cells and tissues. Here, we review recent structural results of the coiled-coil dimer, assembly intermediates and growing filaments that have been obtained by a hybrid methods approach involving a rigorous combination of X-ray crystallography, small angle X-ray scattering, cryo-electron tomography, computational analysis and molecular modeling.

  1. Structural and molecular comparison of bacterial and eukaryotic trigger factors.

    PubMed

    Ries, Fabian; Carius, Yvonne; Rohr, Marina; Gries, Karin; Keller, Sandro; Lancaster, C Roy D; Willmund, Felix

    2017-09-06

    A considerably small fraction of approximately 60-100 proteins of all chloroplast proteins are encoded by the plastid genome. Many of these proteins are major subunits of complexes with central functions within plastids. In comparison with other subcellular compartments and bacteria, many steps of chloroplast protein biogenesis are not well understood. We report here on the first study of chloroplast-localised trigger factor. In bacteria, this molecular chaperone is known to associate with translating ribosomes to facilitate the folding of newly synthesized proteins. Chloroplast trigger factors of the unicellular green algae Chlamydomonas reinhardtii and the vascular land plant Arabidopsis thaliana were characterized by biophysical and structural methods and compared to the Escherichia coli isoform. We show that chloroplast trigger factor is mainly monomeric and displays only moderate stability against thermal unfolding even under mild heat-stress conditions. The global shape and conformation of these proteins were determined in solution by small-angle X-ray scattering and subsequent ab initio modelling. As observed for bacteria, plastidic trigger factors have a dragon-like structure, albeit with slightly altered domain arrangement and flexibility. This structural conservation despite low amino acid sequence homology illustrates a remarkable evolutionary robustness of chaperone conformations across various kingdoms of life.

  2. Cluster and Shell Structures in the Fermionic Molecular Dynamics Approach

    NASA Astrophysics Data System (ADS)

    Neff, Thomas; Feldmeier, Hans

    Nuclei in the p- and sd-shell are studied within the Fermionic Molecular Dynamics (FMD) model that uses Gaussian wave packets as single-particle states. Intrinsic many-body basis states are given by Slater determinants which have to be projected on parity, angular momentum and total linear momentum to restore the symmetries of the Hamiltonian. The flexibility of the Gaussian basis allows to economically describe states with shell structures as well as states featuring clustering or halos. The same effective interaction derived from the realistic Argonne V18 interaction in the Unitary Correlation Operator Method (UCOM) framework is used for all nuclei. We discuss the spectrum of 12C with a special emphasis on the structure of the first excited 0+ state, the famous Hoyle state. In the FMD approach the Hoyle state is found to be dominated by dilute α-cluster configurations. Recent measurements of the charge radii of Neon isotopes show an intriguing behaviour. This can be explained in FMD calculations by a structure change from 17Ne and 18Ne which can be essentially considered as an 15O or 16O core plus two protons in s2 or d2 configurations, respectively. For the heavier isotopes we find that the admixture of 3He and 4He cluster configurations in the ground states leads to much larger charge radii than obtained in a mean-field calculation.

  3. Hydration structure of salt solutions from ab initio molecular dynamics

    SciTech Connect

    Bankura, Arindam; Carnevale, Vincenzo; Klein, Michael L.

    2013-01-07

    The solvation structures of Na{sup +}, K{sup +}, and Cl{sup -} ions in aqueous solution have been investigated using density functional theory (DFT) based Car-Parrinello (CP) molecular dynamics (MD) simulations. CPMD trajectories were collected for systems containing three NaCl or KCl ion pairs solvated by 122 water molecules using three different but commonly employed density functionals (BLYP, HCTH, and PBE) with electron correlation treated at the level of the generalized gradient approximation (GGA). The effect of including dispersion forces was analyzed through the use of an empirical correction to the DFT-GGA scheme. Special attention was paid to the hydration characteristics, especially the structural properties of the first solvation shell of the ions, which was investigated through ion-water radial distribution functions, coordination numbers, and angular distribution functions. There are significant differences between the present results obtained from CPMD simulations and those provided by classical MD based on either the CHARMM force field or a polarizable model. Overall, the computed structural properties are in fair agreement with the available experimental results. In particular, the observed coordination numbers 5.0-5.5, 6.0-6.4, and 6.0-6.5 for Na{sup +}, K{sup +}, and Cl{sup -}, respectively, are consistent with X-ray and neutron scattering studies but differ somewhat from some of the many other recent computational studies of these important systems. Possible reasons for the differences are discussed.

  4. Hydration structure of salt solutions from ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Bankura, Arindam; Carnevale, Vincenzo; Klein, Michael L.

    2013-01-01

    The solvation structures of Na^+, K^+, and Cl^- ions in aqueous solution have been investigated using density functional theory (DFT) based Car-Parrinello (CP) molecular dynamics (MD) simulations. CPMD trajectories were collected for systems containing three NaCl or KCl ion pairs solvated by 122 water molecules using three different but commonly employed density functionals (BLYP, HCTH, and PBE) with electron correlation treated at the level of the generalized gradient approximation (GGA). The effect of including dispersion forces was analyzed through the use of an empirical correction to the DFT-GGA scheme. Special attention was paid to the hydration characteristics, especially the structural properties of the first solvation shell of the ions, which was investigated through ion-water radial distribution functions, coordination numbers, and angular distribution functions. There are significant differences between the present results obtained from CPMD simulations and those provided by classical MD based on either the CHARMM force field or a polarizable model. Overall, the computed structural properties are in fair agreement with the available experimental results. In particular, the observed coordination numbers 5.0-5.5, 6.0-6.4, and 6.0-6.5 for Na^+, K^+, and Cl^-, respectively, are consistent with X-ray and neutron scattering studies but differ somewhat from some of the many other recent computational studies of these important systems. Possible reasons for the differences are discussed.

  5. Hydration structure of salt solutions from ab initio molecular dynamics.

    PubMed

    Bankura, Arindam; Carnevale, Vincenzo; Klein, Michael L

    2013-01-07

    The solvation structures of Na(+), K(+), and Cl(-) ions in aqueous solution have been investigated using density functional theory (DFT) based Car-Parrinello (CP) molecular dynamics (MD) simulations. CPMD trajectories were collected for systems containing three NaCl or KCl ion pairs solvated by 122 water molecules using three different but commonly employed density functionals (BLYP, HCTH, and PBE) with electron correlation treated at the level of the generalized gradient approximation (GGA). The effect of including dispersion forces was analyzed through the use of an empirical correction to the DFT-GGA scheme. Special attention was paid to the hydration characteristics, especially the structural properties of the first solvation shell of the ions, which was investigated through ion-water radial distribution functions, coordination numbers, and angular distribution functions. There are significant differences between the present results obtained from CPMD simulations and those provided by classical MD based on either the CHARMM force field or a polarizable model. Overall, the computed structural properties are in fair agreement with the available experimental results. In particular, the observed coordination numbers 5.0-5.5, 6.0-6.4, and 6.0-6.5 for Na(+), K(+), and Cl(-), respectively, are consistent with X-ray and neutron scattering studies but differ somewhat from some of the many other recent computational studies of these important systems. Possible reasons for the differences are discussed.

  6. Molecular and structural insight into plasmodium falciparum RIO2 kinase.

    PubMed

    Chouhan, Devendra K; Sharon, Ashoke; Bal, Chandralata

    2013-02-01

    Among approximately 65 kinases of the malarial genome, RIO2 (right open reading frame) kinase belonging to the atypical class of kinase is unique because along with a kinase domain, it has a highly conserved N-terminal winged helix (wHTH) domain. The wHTH domain resembles the wing like domain found in DNA binding proteins and is situated near to the kinase domain. Ligand binding to this domain may reposition the kinase domain leading to inhibition of enzyme function and could be utilized as a novel allosteric site to design inhibitor. In the present study, we have generated a model of RIO2 kinase from Plasmodium falciparum utilizing multiple modeling, simulation approach. A novel putative DNA-binding site is identified for the first time in PfRIO2 kinase to understand the DNA binding events involving wHTH domain and flexible loop. Induced fit DNA docking followed by minimization, molecular dynamics simulation, energetic scoring and binding mode studies are used to reveal the structural basis of PfRIO2-ATP-DNA complex. Ser105 as a potential site of phosphorylation is revealed through the structural studies of ATP binding in PfRIO2. Overall the present study discloses the structural facets of unknown PfRIO2 complex and opens an avenue toward exploration of novel drug target.

  7. Structure and function of the molecular chaperone Trigger Factor.

    PubMed

    Hoffmann, Anja; Bukau, Bernd; Kramer, Günter

    2010-06-01

    Newly synthesized proteins often require the assistance of molecular chaperones to efficiently fold into functional three-dimensional structures. At first, ribosome-associated chaperones guide the initial folding steps and protect growing polypeptide chains from misfolding and aggregation. After that folding into the native structure may occur spontaneously or require support by additional chaperones which do not bind to the ribosome such as DnaK and GroEL. Here we review the current knowledge on the best-characterized ribosome-associated chaperone at present, the Escherichia coli Trigger Factor. We describe recent progress on structural and dynamic aspects of Trigger Factor's interactions with the ribosome and substrates and discuss how these interactions affect co-translational protein folding. In addition, we discuss the newly proposed ribosome-independent function of Trigger Factor as assembly factor of multi-subunit protein complexes. Finally, we cover the functional cooperation between Trigger Factor, DnaK and GroEL in folding of cytosolic proteins and the interplay between Trigger Factor and other ribosome-associated factors acting in enzymatic processing and translocation of nascent polypeptide chains.

  8. Structural and molecular interrogation of intact biological systems

    PubMed Central

    Chung, Kwanghun; Wallace, Jenelle; Kim, Sung-Yon; Kalyanasundaram, Sandhiya; Andalman, Aaron S.; Davidson, Thomas J.; Mirzabekov, Julie J.; Zalocusky, Kelly A.; Mattis, Joanna; Denisin, Aleksandra K.; Pak, Sally; Bernstein, Hannah; Ramakrishnan, Charu; Grosenick, Logan; Gradinaru, Viviana; Deisseroth, Karl

    2014-01-01

    Obtaining high-resolution information from a complex system, while maintaining the global perspective needed to understand system function, represents a key challenge in biology. Here we address this challenge with a method (termed CLARITY) for the transformation of intact tissue into a nanoporous hydrogel-hybridized form (crosslinked to a three-dimensional network of hydrophilic polymers) that is fully assembled but optically transparent and macromolecule-permeable. Using mouse brains, we show intact-tissue imaging of long-range projections, local circuit wiring, cellular relationships, subcellular structures, protein complexes, nucleic acids and neurotransmitters. CLARITY also enables intact-tissue in situ hybridization, immunohistochemistry with multiple rounds of staining and de-staining in non-sectioned tissue, and antibody labelling throughout the intact adult mouse brain. Finally, we show that CLARITY enables fine structural analysis of clinical samples, including non-sectioned human tissue from a neuropsychiatric-disease setting, establishing a path for the transmutation of human tissue into a stable, intact and accessible form suitable for probing structural and molecular underpinnings of physiological function and disease. PMID:23575631

  9. Molecular origin of the vibrational structure of ice Ih

    DOE PAGES

    Moberg, Daniel R.; Straight, Shelby C.; Knight, Christopher; ...

    2017-05-25

    Here, an unambiguous assignment of the vibrational spectra of ice Ih remains a matter of debate. This study demonstrates that an accurate representation of many-body interactions between water molecules, combined with an explicit treatment of nuclear quantum effects through many-body molecular dynamics (MB-MD), leads to a unified interpretation of the vibrational spectra of ice Ih in terms of the structure and dynamics of the underlying hydrogen-bond network. All features of the infrared and Raman spectra in the OH stretching region can be unambiguously assigned by taking into account both the symmetry and the delocalized nature of the lattice vibrations asmore » well as the local electrostatic environment experienced by each water molecule within the crystal. The high level of agreement with experiment raises prospects for predictive MB-MD simulations that, complementing analogous measurements, will provide molecular-level insights into fundamental processes taking place in bulk ice and on ice surfaces under different thermodynamic conditions.« less

  10. Unraveling the Structure of Ultracold Mesoscopic Collinear Molecular Ions

    NASA Astrophysics Data System (ADS)

    Schurer, J. M.; Negretti, A.; Schmelcher, P.

    2017-08-01

    We present an in-depth many-body investigation of the so-called mesoscopic molecular ions that can buildup when an ion is immersed into an atomic Bose-Einstein condensate in one dimension. To this end, we employ the multilayer multiconfiguration time-dependent Hartree method for mixtures of ultracold bosonic species for solving the underlying many-body Schrödinger equation. This enables us to unravel the actual structure of such massive charged molecules from a microscopic perspective. Laying out their phase diagram with respect to atom number and interatomic interaction strength, we determine the maximal number of atoms bound to the ion and reveal spatial densities and molecular properties. Interestingly, we observe a strong interaction-induced localization, especially for the ion, that we explain by the generation of a large effective mass, similarly to ions in liquid Helium. Finally, we predict the dynamical response of the ion to small perturbations. Our results provide clear evidence for the importance of quantum correlations, as we demonstrate by benchmarking them with wave function ansatz classes employed in the literature.

  11. Solving structures of protein complexes by molecular replacement with Phaser

    SciTech Connect

    McCoy, Airlie J.

    2007-01-01

    Four case studies in using maximum-likelihood molecular replacement, as implemented in the program Phaser, to solve structures of protein complexes are described. Molecular replacement (MR) generally becomes more difficult as the number of components in the asymmetric unit requiring separate MR models (i.e. the dimensionality of the search) increases. When the proportion of the total scattering contributed by each search component is small, the signal in the search for each component in isolation is weak or non-existent. Maximum-likelihood MR functions enable complex asymmetric units to be built up from individual components with a ‘tree search with pruning’ approach. This method, as implemented in the automated search procedure of the program Phaser, has been very successful in solving many previously intractable MR problems. However, there are a number of cases in which the automated search procedure of Phaser is suboptimal or encounters difficulties. These include cases where there are a large number of copies of the same component in the asymmetric unit or where the components of the asymmetric unit have greatly varying B factors. Two case studies are presented to illustrate how Phaser can be used to best advantage in the standard ‘automated MR’ mode and two case studies are used to show how to modify the automated search strategy for problematic cases.

  12. Structural Determinations and Dynamics on Floppy Molecular Systems

    NASA Astrophysics Data System (ADS)

    Pietraperzia, G.; Becucci, M.; Zoppi, A.; Pasquini, M.; Piani, G.; Castellucci, E.

    2005-05-01

    We discuss on the central role of very high resolution spectroscopy for the study of molecular systems weakly bonded or flexible. It will appear evident how the lack of high resolution results can lead to wrong conclusions. The paper will focalize the attention in particular on two different cases: one involving the hydrogen bonded complex anisole-water, the other involving the very floppy 1,3-benzodioxole (BDO) molecule. In the first case the issue is the determination of the structure of the complex that cannot be correctly inferred from resonance enhanced multi photon ionization (REMPI) data and ab initio calculations. In the second case the non-rigidity of the molecule and the possibility of the interaction of two low frequency modes (ring-puckering and ring-butterfly) have lead to a wrong assignment of the laser induced fluorescence (LIF) vibronic spectrum.

  13. Diffusion and structure in silica liquid: a molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Hung, P. K.; Hong, N. V.; Vinh, L. T.

    2007-11-01

    Diffusion and structure in liquid silica under pressure have been investigated by a molecular dynamics model of 999 atoms with the inter-atomic potentials of van Beest, Kramer and van Santen. The simulation reveals that silica liquid is composed of the species SiO4, SiO5 and SiO6 with a fraction dependent on pressure. The density as well as volume of voids can be expressed as a linear function of the fraction of those species. Low-density liquid is mainly constructed of SiO4 and has a large number of O- and Si-voids and a large void tube. This tube contains most O-voids and is spread over the whole system. The anomalous diffusion behavior is observed and discussed.

  14. The molecular structure of naphthalene by electron diffraction

    NASA Astrophysics Data System (ADS)

    Ketkar, S. N.; Fink, M.

    1981-11-01

    The molecular structure of gaseous naphthalene has been studied by electron diffraction at a nozzle tip temperature of about 25°C. The molecule has D 2h symmetry to within experimental error. The results for the distances ( ra), bond angle and r.m.s. amplitude ( l) are r(CH) = 1.092(6) Å, r(C 9C 1) = 1.422(2) Å, r(C 1C 2) = 1.381(2) Å, r(C 2C 3) = 1.417(4) Å, r(C 10C 9) = 1.412(8) Å, ∠C 10C 9C 1 = 119.5(3)°, ∠CCH = 119.9(7)°, l(CH) = 0.076(6) Å, l(CC) = 0.047(2) Å.

  15. Guiding Molecular Motors with Nano-Imprinted Structures

    NASA Astrophysics Data System (ADS)

    Bunk, Richard; Carlberg, Patrick; Månsson, Alf; Nicholls, Ian A.; Omling, Pär; Sundberg, Mark; Tågerud, Sven; Montelius, Lars

    2005-05-01

    This work, for the first time, demonstrates that nano-imprinted samples, with 100 nm wide polymer lines, can act as guides for molecular motors consisting of motor proteins actin and myosin. The motor protein function was characterized using fluorescence microscopy and compared to actomyosin motility on non-structured nitrocellulose surfaces. Our results open for further use of the nano-imprint technique in the production of disposable chips for bio-nanotechnological applications and miniaturized biological test systems. We discuss how the nano-imprinted motor protein assay system may be optimized and also how it compares to previously tested assay systems involving low-resolution UV-lithography and low throughput but high-resolution electron beam lithography.

  16. Crystal and molecular structure of three biologically active nitroindazoles

    NASA Astrophysics Data System (ADS)

    Cabildo, Pilar; Claramunt, Rosa M.; López, Concepción; García, M. Ángeles; Pérez-Torralba, Marta; Pinilla, Elena; Torres, M. Rosario; Alkorta, Ibon; Elguero, José

    2011-01-01

    3-Bromo-1-methyl-7-nitro-1 H-indazole ( 1), 3-bromo-2-methyl-7-nitro-2 H-indazole ( 2) and 3,7-dinitro-1(2) H-indazole ( 3) have been synthesized and characterized by X-ray diffraction, 13C and 15N NMR spectroscopy in solution and in solid-state. The dihedral angles obtained in the crystal structures are in good agreement with the molecular parameters calculated using DFT B3LYP calculations employing the 6-311++G(d,p) basis set. Compounds 1 and 2 present intermolecular halogen bonds between the bromine and the oxygen atoms of the nitro group and in compound 3 inter- and intramolecular hydrogen bonding exists.

  17. Infrared fine-structure line diagnostics of shrouded active galactic nuclei

    NASA Technical Reports Server (NTRS)

    Voit, G. M.

    1992-01-01

    The ultraluminous far-IR galaxies revealed by IRAS, quasar-like in luminosity but smothered in molecular gas, probably conceal either immense starbursts or luminous active nuclei. In both scenarios, these objects ought to produce copious infrared fine-structure emission with several lines comparable to H-beta in luminosity. We show how these lines, if detected, can be used to determine the electron densities and far-IR obscurations of shrouded photoionized regions and to constrain the shape and ionization parameter of the ionizing spectra. The presence of Ne v emission in particular will distinguish shrouded AGNs from shrouded starbursts. Since all active galaxies photoionize at least some surrounding material, these diagnostics can also be applied to active galaxies in general and will aid in studying how an active nucleus interacts with the interstellar medium of its host galaxy.

  18. Instantaneous Starburst of the Massive Clusters Westerlund 1 and NGC 3603 YC

    NASA Astrophysics Data System (ADS)

    Kudryavtseva, Natalia; Brandner, Wolfgang; Gennaro, Mario; Rochau, Boyke; Stolte, Andrea; Andersen, Morten; Da Rio, Nicola; Henning, Thomas; Tognelli, Emanuele; Hogg, David; Clark, Simon; Waters, Rens

    2012-05-01

    We present a new method to determine the age spread of resolved stellar populations in a starburst cluster. The method relies on a two-step process. In the first step, kinematic members of the cluster are identified based on multi-epoch astrometric monitoring. In the second step, a Bayesian analysis is carried out, comparing the observed photometric sequence of cluster members with sets of theoretical isochrones. When applying this methodology to optical and near-infrared high angular resolution Hubble Space Telescope (HST) and adaptive optics observations of the ~5 Myr old starburst cluster Westerlund 1 and ~2 Myr old starburst cluster NGC 3603 YC, we derive upper limits for the age spreads of 0.4 and 0.1 Myr, respectively. The results strongly suggest that star formation in these starburst clusters happened almost instantaneously.

  19. INSTANTANEOUS STARBURST OF THE MASSIVE CLUSTERS WESTERLUND 1 AND NGC 3603 YC

    SciTech Connect

    Kudryavtseva, Natalia; Brandner, Wolfgang; Gennaro, Mario; Rochau, Boyke; Henning, Thomas; Stolte, Andrea; Andersen, Morten; Da Rio, Nicola; Tognelli, Emanuele; Hogg, David; Clark, Simon; Waters, Rens

    2012-05-10

    We present a new method to determine the age spread of resolved stellar populations in a starburst cluster. The method relies on a two-step process. In the first step, kinematic members of the cluster are identified based on multi-epoch astrometric monitoring. In the second step, a Bayesian analysis is carried out, comparing the observed photometric sequence of cluster members with sets of theoretical isochrones. When applying this methodology to optical and near-infrared high angular resolution Hubble Space Telescope (HST) and adaptive optics observations of the {approx}5 Myr old starburst cluster Westerlund 1 and {approx}2 Myr old starburst cluster NGC 3603 YC, we derive upper limits for the age spreads of 0.4 and 0.1 Myr, respectively. The results strongly suggest that star formation in these starburst clusters happened almost instantaneously.

  20. Molecular structure and exciton dynamics in organic conjugated polymers

    NASA Astrophysics Data System (ADS)

    Thomas, Alan K.

    , quenchable, isolated singlet excitations. The structure of J aggregates which leads to isolated excitations, and the role which inter-chain contact sites play in triplet formation from these singlet excitations is revealed. New structure-function relationships were uncovered in poly (3-alkyl-thienylenevinylene) (P3ATV) derivatives using resonance Raman and photocurrent spectroscopies. Time-dependent spectroscopic theory was used to interpret experimental Raman and absorption spectra that revealed the presence of structural polymorphs. These polymorphs provide an explanation of the spectroscopic evidence without presumption of a deactivating dark state in this unusually non-fluorescence material. Photovoltaic devices constructed from blends of poly (2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]thiophene) (PBTTT) and PCBM blends were examined using Raman and photocurrent imaging techniques. These techniques were used to identify different packing states in blended thin films and correlate photocurrent production with local order. Intensity modulated spectroscopic techniques (IMPS) were then used to locate regions of non-geminate charge recombination at interfaces between amorphous and crystalline regions in working devices. Next, P3HT/PCBM OPV devices were exposed to ionizing radiation in a vacuum chamber. These devices were characterized before and after exposure, using standardized solar cell tests, Raman imaging, wide-field IMPS, and IMVS spectroscopies. An analysis of the spectroscopic data determined that the donor polymer is highly resistant to radiation damage, and that the degradation of device performance is due to an effect (cross-linking or degradation) within aggregates of the acceptor. This dissertation concludes with an interpretation of the significance of the findings contained herein to organic electronics, followed by a brief outlook for future work in these fields. Potential theories to describe and predict molecular interactions for organic polymers in

  1. Molecular structure of cyclic deoxydiadenylic acid at atomic resolution

    SciTech Connect

    Frederick, C.A.; Coll, M.; van der Marel, G.A.; van Boom, J.H.; Wang, A.H.J.

    1988-11-01

    The molecular structure of a small cycle nucleotide, cyclic deoxydiadenylic acid, has been determined by single-crystal X-ray diffraction analysis and refined to an R factor of 7.8% at 1.0-/Angstrom/ resolution. The crystals are in the monoclinic space group C2 with unit cell dimensions of a = 24.511 (3) /Angstrom/, b = 24.785 (3) /Angstrom/, c = 13.743 (3) /Angstrom/, and ..beta.. = 94.02 (2)/degrees/. The structure was solved by the direct methods program SHELXS-86. There are 2 independent cyclic d(ApAp) molecules, 2 hydrated magnesium ions, and 26 water molecules in the asymmetric unit of the unit cell. The two cyclic d(ApAp) molecules have similar conformations within their 12-membered sugar-phosphate backbone ring, but they have quite different appearances due to the different glycosyl torsion angles that make one molecule more compact and the other extended and open. Three of the four deoxyribose rings are in the less common C3'-endo conformation. All four phosphate groups have their phosphodiester torsion angles ..cap alpha..//zeta/ in the gauche(+)/gauche(+) conformation. One of the cyclic d(ApAp) molecules associated with another symmetry-related molecule to form a self-intercalated dimer that is a stable structure in solution, as observed in NMR studies. Many interesting intermolecular interactions, including base-base stacking, ribose-base stacking, base pairing, base-phosphate hydrogen bonding, and metal ion-phosphate interactions, are found in the crystal lattice. This structure may be relevant for understanding the conformational potentiality of an endogenous biological regulator of cellulose synthesis, cyclic (GpGp).

  2. Molecular structure of cyclic deoxydiadenylic acid at atomic resolution.

    PubMed

    Frederick, C A; Coll, M; van der Marel, G A; van Boom, J H; Wang, A H

    1988-11-01

    The molecular structure of a small cyclic nucleotide, cyclic deoxydiadenylic acid, has been determined by single-crystal X-ray diffraction analysis and refined to an R factor of 7.8% at 1.0-A resolution. The crystals are in the monoclinic space group C2 with unit cell dimensions of a = 24.511 (3) A, b = 24.785 (3) A, c = 13.743 (3) A, and beta = 94.02 (2) degrees. The structure was solved by the direct methods program SHELXS-86. There are 2 independent cyclic d(ApAp) molecules, 2 hydrated magnesium ions, and 26 water molecules in the asymmetric unit of the unit cell. The two cyclic d(ApAp) molecules have similar conformations within their 12-membered sugar-phosphate backbone ring, but they have quite different appearances due to the different glycosyl torsion angles that make one molecule more compact and the other extended and open. Three of the four deoxyribose rings are in the less common C3'-endo conformation. All four phosphate groups have their phosphodiester torsion angles alpha/zeta in the gauche(+)/gauche(+) conformation. One of the cyclic d(ApAp) molecules associates with another symmetry-related molecule to form a self-intercalated dimer that is a stable structure in solution, as observed in NMR studies. Many interesting intermolecular interactions, including base-base stacking, ribose-base stacking, base pairing, base-phosphate hydrogen bonding, and metal ion-phosphate interactions, are found in the crystal lattice. This structure may be relevant for understanding the conformational potentiality of an endogenous biological regulator of cellulose synthesis, cyclic (GpGp).

  3. Molecular quantum-dot cellular automata--from molecular structure to circuit dynamics

    NASA Astrophysics Data System (ADS)

    Lu, Yuhui; Lent, Craig

    2008-03-01

    Quantum-dot cellular automata (QCA) [1] provides a transistor-less paradigm for molecular electronics. In the QCA approach, binary information is stored in the charge configuration of single cells, and transferred via Coulomb coupling between neighboring cells. Single-molecule QCA cells can be realized by using as quantum dots the localized states of mixed-valence complexes. Several candidate QCA molecules have been synthesized and shown to have the required field-induced switching properties [2]. We report progress towards a hierarchic dynamic theory of QCA circuits. We use ab initio techniques to calculate the relevant molecular electronic structure, and extract parameters for a simpler Hamiltonian to describe switching behavior. We then apply a coherence vector formalism to model interaction with the thermal environment and generate a circuit-dynamic description. [1] C. S. Lent, P. D. Tougaw, W. Porod, and G. H. Bernstein, Nanotechnology, vol. 4, pp. 49, 1993. [2] H. Qi, S. Sharma, Z. Li, G. L. Snider, A. O. Orlov, C. S. Lent, and T. P. Fehlner, J.Am.Chem.Soc., vol. 125, pp. 15250, 2003.

  4. MacMolecular: a program for visualization of molecular structures on the Macintosh.

    PubMed

    Weaver, T D; Islam, S A; Weaver, D L

    1994-09-01

    MacMolecular displays small- to medium-sized biomolecules, with particular emphasis on peptides. It has been developed to run on color Macintosh computers. The display can be stick, ball and stick, depth cued by thickness stick, or several types of space-filling representations. The program takes input from standard PDB files, simple Cartesian coordinate files, and, in addition, from Kinemage files in which atom information has been included. The program allows color changes of various types as well as the normal functions of translation, rotation, and zooming. In addition, animation files may be produced for subsequent display. Bonding of atoms is done by a distance algorithm (standard) or sequentially to properly display C alpha traces and traces of peptides containing simplified representations of amino acids. Stereo viewing is available, and manipulated structures which were drawn from PDB files can be written out to new PDB files. In addition, PICT files of the drawing window can be generated.

  5. Derivatives of Ergot-alkaloids: Molecular structure, physical properties, and structure-activity relationships

    NASA Astrophysics Data System (ADS)

    Ivanova, Bojidarka B.; Spiteller, Michael

    2012-09-01

    A comprehensive screening of fifteen functionalized Ergot-alkaloids, containing bulk aliphatic cyclic substituents at D-ring of the ergoline molecular skeleton was performed, studying their structure-active relationships and model interactions with α2A-adreno-, serotonin (5HT2A) and dopamine D3 (D3A) receptors. The accounted high affinity to the receptors binding loops and unusual bonding situations, joined with the molecular flexibility of the substituents and the presence of proton accepting/donating functional groups in the studied alkaloids, may contribute to further understanding the mechanisms of biological activity in vivo and in predicting their therapeutic potential in central nervous system (CNS), including those related the Schizophrenia. Since the presented correlation between the molecular structure and properties, was based on the comprehensively theoretical computational and experimental physical study on the successfully isolated derivatives, through using routine synthetic pathways in a relatively high yields, marked these derivatives as 'treasure' for further experimental and theoretical studied in areas such as: (a) pharmacological and clinical testing; (b) molecular-drugs design of novel psychoactive substances; (c) development of the analytical protocols for determination of Ergot-alkaloids through a functionalization of the ergoline-skeleton, and more.

  6. The Impact of Massive Starbursts on the Chemical Evolution of Galaxies

    NASA Astrophysics Data System (ADS)

    Kobulnicky, Henry A.

    Young, compact star clusters containing hundreds to thousands of the most massive OB and Wolf-Rayet type stars are common features of actively star-forming galaxies. Radio-wave H scI and millimeter-wave CO aperture synthesis observations of the interstellar gas in several such systems reveal strong evidence for recent collisions or mergers with other galaxies which probably triggered the present burst. Most of the oxygen in the universe, and to a lesser extent carbon and nitrogen, is synthesized within massive stars and returned to the interstellar gas by stellar winds and supernova explosions as these stars evolve. Yet, spatially-resolved spectroscopic investigations of the ionized gas in several starburst galaxies fail to find any sign of recent nucleosynthesis products in the vicinity of evolved starclusters. The chemical abundances of O, N, He, and probably C, appear very homogeneous on scales of ~1 kpc or less, despite the fact that models of the chemical enrichment expected from a single 106/ Msolar burst show that large localized chemical enhancements should occur. That there is no evidence of localized chemical enrichment within the H scII regions of most metal-poor galaxies suggests the recently-released heavy elements are 'hiding' either in a hot, 106 phase or in a cool neutral atomic or molecular phase. In either case, the timescale for visible enrichment in galaxies appears to exceed the lifetimes of the H scII regions and the spatial scales must exceed 1 kpc. These data are inconsistent with the H scII region 'self-enrichment' or 'pollution' hypothesis. For now, heavy elements produced in starbursts can be considered 'missing', but upcoming X-ray observatories may be able to establish their physical phase and location. Hubble Space Telescope spectroscopic measurements show evidence for a correlation between C and N abundances among galaxies with similar metallicity (O/H). The existence of such a correlation implies that C and N production mechanisms

  7. Molecular Structure and Mobility in Ultrasonically Treated Unfilled Polybutadiene Rubber

    NASA Astrophysics Data System (ADS)

    von Meerwall, E.; Oh, J.-S.; Wagler, T.; Rinaldi, P.; Isayev, A. I.

    2003-10-01

    Ultrasound can change the molecular structure of rubbery polymers in several ways at once, including network formation (crosslinking) and degradation (devulcanization). We have used wide-line proton and spectroscopic 13C transverse NMR relaxation, and the proton pulsed-gradient spin echo method, to examine sonicated unfilled polybutadiene gum rubber. Results correlate well with ultrasound amplitude. The proton T2 relaxation at 70.5 deg. C exhibits three discrete components, due to entangled sol and network; unentangled (light) sol plus dangling chain ends; and oligomer remnants. The 25 deg. C carbon T2 values show no effects of sonication. The diffusivity spectrum of the light sol displays a wide rate distribution, including a fast component from oligomers. Ultrasound exposure increases all diffusion rates, and substantially lowers the relative contribution of the two fastest proton T2 decay components with only small decreases in relaxation times. Ultrasound treatment results in significant isomerization; the cis/trans ratio decreases sharply for samples subjected to the highest amplitudes. The structural implications of these findings will be discussed.

  8. Molecular structure of tetramethylgermane from gas electron diffraction

    NASA Astrophysics Data System (ADS)

    Csákvári, Éva; Rozsondai, Béla; Hargittai, István

    1991-05-01

    The molecular structure of Ge(CH 3) 4 has been determined from gas-phase electron diffraction augmented by a normal coordinate analysis. Assuming tetrahedral symmetry for the germanium bond configuration, the following structural parameters are found: rg(GeC) = 1.958 ± 0.004 Å, rg(CH) = 1.111 ± 0.003 Å and ∠(GeCH) = 110.7 ± 0.2° ( R=4.0%). The methyl torsional barrier V 0 is estimated to be 1.3 kJ mol -1 on the basis of an effective angle of torsion 23.0 ± 1.5°, from the staggered form, yielded directly by the analysis. The GeC bond length of Ge(CH 3) 4 is the same, within experimental error, as that of Ge(C 6H 5) 4 and is in agreement with the prediction of a modified Schomaker-Stevenson relationship.

  9. Bonding and structure in dense multi-component molecular mixtures

    DOE PAGES

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; ...

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systemsmore » engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.« less

  10. Bonding and structure in dense multi-component molecular mixtures

    SciTech Connect

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D.; Collins, Lee A.

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systems engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.

  11. Relation between photochromic properties and molecular structures in salicylideneaniline crystals.

    PubMed

    Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji

    2012-06-01

    The crystal structures of the salicylideneaniline derivatives N-salicylidene-4-tert-butyl-aniline (1), N-3,5-di-tert-butyl-salicylidene-3-methoxyaniline (2), N-3,5-di-tert-butyl-salicylidene-3-bromoaniline (3), N-3,5-di-tert-butyl-salicylidene-3-chloroaniline (4), N-3,5-di-tert-butyl-salicylidene-4-bromoaniline (5), N-3,5-di-tert-butyl-salicylidene-aniline (6), N-3,5-di-tert-butyl-salicylidene-4-carboxyaniline (7) and N-salicylidene-2-chloroaniline (8) were analyzed by X-ray diffraction analysis at ambient temperature to investigate the relationship between their photochromic properties and molecular structures. A clear correlation between photochromism and the dihedral angle of the two benzene rings in the salicylideneaniline derivatives was observed. Crystals with dihedral angles less than 20° were non-photochromic, whereas those with dihedral angles greater than 30° were photochromic. Crystals with dihedral angles between 20 and 30° could be either photochromic or non-photochromic. Inhibition of the pedal motion by intra- or intermolecular steric hindrance, however, can result in non-photochromic behaviour even if the dihedral angle is larger than 30°.

  12. Chitosan Molecular Structure as a Function of N-Acetylation

    SciTech Connect

    Franca, Eduardo F.; Freitas, Luiz C.; Lins, Roberto D.

    2011-07-01

    Molecular dynamics simulations have been carried out to characterize the structure and solubility of chitosan nanoparticle-like structures as a function of the deacetylation level (0, 40, 60, and 100%) and the spatial distribution of the N-acetyl groups in the particles. The polysaccharide chains of highly N-deacetylated particles where the N-acetyl groups are uniformly distributed present a high flexibility and preference for the relaxed two-fold helix and five-fold helix motifs. When these groups are confined to a given region of the particle, the chains adopt preferentially a two-fold helix with f and w values close to crystalline chitin. Nanoparticles with up to 40% acetylation are moderately soluble, forming stable aggregates when the N-acetyl groups are unevenly distributed. Systems with 60% or higher N-acetylation levels are insoluble and present similar degrees of swelling regardless the distribution of their N-acetyl groups. Overall particle solvation is highly affected by electrostatic forces resulting from the degree of acetylation. The water mobility and orientation around the polysaccharide chains affects the stability of the intramolecular O3- HO3(n) ... O5(n+ 1) hydrogen bond, which in turn controls particle aggregation.

  13. Structural and electronic properties of Diisopropylammonium bromide molecular ferroelectric crystal

    NASA Astrophysics Data System (ADS)

    Alsaad, A.; Qattan, I. A.; Ahmad, A. A.; Al-Aqtash, N.; Sabirianov, R. F.

    2015-10-01

    We report the results of ab-initio calculations based on Generalized Gradient Approximation (GGA) and hybrid functional (HSE06) of electronic band structure, density of states and partial density of states to get a deep insight into structural and electronic properties of P21 ferroelectric phase of Diisopropylammonium Bromide molecular crystal (DIPAB). We found that the optical band gap of the polar phase of DIPAB is ∼ 5 eV confirming it as a good dielectric. Examination of the density of states and partial density of states reveal that the valence band maximum is mainly composed of bromine 4p orbitals and the conduction band minimum is dominated by carbon 2p, carbon 2s, and nitrogen 2s orbitals. A unique aspect of P21 ferroelectric phase is the permanent dipole within the material. We found that P21 DIPAB has a spontaneous polarization of 22.64 consistent with recent findings which make it good candidate for the creation of ferroelectric tunneling junctions (FTJs) which have the potential to be used as memory devices.

  14. Structural and molecular basis of starch viscosity in hexaploid wheat.

    PubMed

    Ral, J-P; Cavanagh, C R; Larroque, O; Regina, A; Morell, M K

    2008-06-11

    Wheat starch is considered to have a low paste viscosity relative to other starches. Consequently, wheat starch is not preferred for many applications as compared to other high paste viscosity starches. Increasing the viscosity of wheat starch is expected to increase the functionality of a range of wheat flour-based products in which the texture is an important aspect of consumer acceptance (e.g., pasta, and instant and yellow alkaline noodles). To understand the molecular basis of starch viscosity, we have undertaken a comprehensive structural and rheological analysis of starches from a genetically diverse set of wheat genotypes, which revealed significant variation in starch traits including starch granule protein content, starch-associated lipid content and composition, phosphate content, and the structures of the amylose and amylopectin fractions. Statistical analysis highlighted the association between amylopectin chains of 18-25 glucose residues and starch pasting properties. Principal component analysis also identified an association between monoesterified phosphate and starch pasting properties in wheat despite the low starch-phosphate level in wheat as compared to tuber starches. We also found a strong negative correlation between the phosphate ester content and the starch content in flour. Previously observed associations between internal starch granule fatty acids and the swelling peak time and pasting temperature have been confirmed. This study has highlighted a range of parameters associated with increased starch viscosity that could be used in prebreeding/breeding programs to modify wheat starch pasting properties.

  15. Nuclear structure and reactions in the fermionic molecular dynamics approach

    NASA Astrophysics Data System (ADS)

    Neff, T.; Feldmeier, H.

    2008-05-01

    The Fermionic Molecular Dynamics (FMD) model uses Gaussian wave packets as single-particle states. Intrinsic many-body basis states are constructed as Slater determinants which have to be projected on parity, angular momentum and total linear momentum to restore the symmetries of the Hamiltonian. The flexibility of the Gaussian basis allows to economically describe states with shell structures as well as states featuring clustering or halos. We use an effective interaction that is derived from the realistic Argonne V18 interaction by means of the Unitary Correlation Operator Method (UCOM). A phenomenological momentum-dependent two-body correction simulates contributions from missing three-body forces and three-body correlations. We discuss 12C with a special emphasis on the structure of the excited 0+ and 2+ states. We analyze the degree of α-clustering and confirm, taking inelastic electron scattering data into account, the conjecture that the Hoyle state has to be understood as a loosely bound system of alpha particles. We will also present first results on the application of FMD for the calculation of scattering phase shifts in 3He — 4He.

  16. Molecular Structures and Interactions in the Yeast Kinetochore

    PubMed Central

    Cho, U.-S.; Corbett, K.D.; Al-Bassam, J.; Bellizzi, J.J.; De Wulf, P.; Espelin, C.W.; Miranda, J.J.; Simons, K.; Wei, R.R.; Sorger, P.K.; Harrison, S.C.

    2011-01-01

    Kinetochores are the elaborate protein assemblies that attach chromosomes to spindle microtubules in mitosis and meiosis. The kinetochores of point-centromere yeast appear to represent an elementary module, which repeats a number of times in kinetochores assembled on regional centromeres. Structural analyses of the discrete protein subcomplexes that make up the budding-yeast kinetochore have begun to reveal principles of kinetochore architecture and to uncover molecular mechanisms underlying functions such as transmission of tension and establishment and maintenance of bipolar attachment. The centromeric DNA is probably wrapped into a compact organization, not only by a conserved, centromeric nucleosome, but also by interactions among various other DNA-bound kinetochore components. The rod-like, heterotetrameric Ndc80 complex, roughly 600 Å long, appears to extend from the DNA-proximal assembly to the plus end of a microtubule, to which one end of the complex is known to bind. Ongoing structural studies will clarify the roles of a number of other well-defined complexes. PMID:21467141

  17. Magnetic Field Structure in Molecular Clouds by Polarization Measurements

    NASA Astrophysics Data System (ADS)

    Chen, W. P.; Su, B. H.; Eswaraiah, C.; Pandey, A. K.; Wang, C. W.; Lai, S. P.; Tamura, M.; Sato, S.

    2015-03-01

    We report on a program to delineate magnetic field structure inside molecular clouds by optical and infrared polarization observations. An ordered magnetic field inside a dense cloud may efficiently align the spinning dust grains to cause a detectable level of optical and near-infrared polarization of otherwise unpolarized background starlight due to dichroic extinction. The near-infrared polarization data were taken by SIRPOL mounted on IRSF in SAAO. Here we present the SIRPOL results in RCW 57, for which the magnetic field is oriented along the cloud filaments, and in Carina Nebula, for which no intrinsic polarization is detected in the turbulent environment. We further describe TRIPOL, a compact and efficient polarimer to acquire polarized images simultaneously at g', r', and i' bands, which is recently developed at Nagoya University for adaption to small-aperture telescopes. We show how optical observations probe the translucent outer parts of a cloud, and when combining with infrared observations probing the dense parts, and with millimeter and submillimeter observations to sutdy the central embedded protostar, if there is one, would yield the magnetic field structure on different length scales in the star-formation process.

  18. CONNECTIONS BETWEEN GALAXY MERGERS AND STARBURST: EVIDENCE FROM THE LOCAL UNIVERSE

    SciTech Connect

    Luo, Wentao; Yang, Xiaohu; Zhang, Youcai E-mail: xyang@sjtu.edu.cn

    2014-07-01

    Major mergers and interactions between gas-rich galaxies with comparable masses are thought to be the main triggers of starburst. In this work, we study, for a large stellar mass range, the interaction rate of the starburst galaxies in the local universe. We focus independently on central and satellite star forming galaxies extracted from the Sloan Digital Sky Survey. Here the starburst galaxies are selected in the star formation rate (SFR) stellar mass plane with SFRs five times larger than the median value found for ''star forming'' galaxies of the same stellar mass. Through visual inspection of their images together with close companions determined using spectroscopic redshifts, we find that ∼50% of the ''starburst'' populations show evident merger features, i.e., tidal tails, bridges between galaxies, double cores, and close companions. In contrast, in the control sample we selected from the normal star forming galaxies, only ∼19% of galaxies are associated with evident mergers. The interaction rates may increase by ∼5% for the starburst sample and 2% for the control sample if close companions determined using photometric redshifts are considered. The contrast of the merger rate between the two samples strengthens the hypothesis that mergers and interactions are indeed the main causes of starburst.

  19. Loss of CPEB3 Upregulates MEGF10 to Impair Mosaic Development of ON Starburst Amacrine Cells

    PubMed Central

    Chen, Yin-Peng; Bai, Geng-Shuo; Wu, Meng-Fang; Chiao, Chuan-Chin; Huang, Yi-Shuian

    2016-01-01

    Cytoplasmic polyadenylation element binding protein 3 (CPEB3) regulates target RNA translation in neurons. Here, we examined CPEB3 distribution and function in the mouse retina. CPEB3 is expressed in retinal neurons, including those located in the inner nuclear layer (INL) and ganglion cell layer (GCL) but not in cone and rod photoreceptors in the outer nuclear layer (ONL). A previous study found CPEB3 expressed in cholinergic starburst amacrine cells (SACs). We first examined these cells and observed aberrant SAC mosaicism in CPEB3-knockout (KO) retinas. Retinal neurons showed orderly spatial arrangements. Many individual subtypes are organized non-randomly in patterns called mosaics. Despite CPEB3 being expressed in both populations of SACs, OFF SACs in the INL and ON SACs in the GCL, aberrant mosaic regularity was observed in only ON SACs of CPEB3-KO retinas. Molecular characterization revealed that translation of multiple epidermal growth factor 10 (Megf10) RNA is suppressed by CPEB3 during the first week of postnatal development, when MEGF10 is primarily expressed in SACs and mediates homotypic repulsive interactions to define intercellular spacing of SACs. Thus, elevated MEGF10 expression in the absence of the translational repressor CPEB3 may account for the defective spatial organization of ON SACs. Our findings uncover for the first time that translational control plays a role in shaping retinal mosaic arrangement. PMID:27822178

  20. Highest redshift neutral hydrogen image in emission: A CHILES detection of a starbursting spiral

    NASA Astrophysics Data System (ADS)

    Fernandez, Ximena; Van Gorkom, Jacqueline H.; Gim, Hansung; Yun, Min Su; Momjian, Emmanuel; CHILES Team

    2016-01-01

    Our current understanding of galaxy evolution still has many uncertainties associated with the details of gas accretion, processing, and removal across cosmic time. The next generation of radio telescopes will image the neutral hydrogen in galaxies over large volumes at high redshifts, which will provide key insights into these processes. We are conducting the COSMOS HI Large Extragalactic Survey (CHILES) with the VLA, which is the first survey to simultaneously observe HI from z=0 to z=0.5. The full survey consists of 1002 hours of observing time, giving us the sensitivity to image HI in 300 galaxies in the COSMOS field. Here, we report the highest redshift HI detection to date, the LIRG COSMOS J100054.83+023126.2 at z=0.376 with the first 178 hours of CHILES data. While the optical image shows it to be a large undisturbed spiral, the HI distribution is very extended and offset from the optical center. This could be evidence for interactions with companions or accretion fueling the starburst. In addition, we present follow-up LMT CO observations that reveal it to be gas-rich in molecular hydrogen. This is the first study of the HI and CO for a galaxy beyond the local Universe, which will enable us to start exploring the ISM of LIRGs at higher redshift.

  1. Lyman Break Analogs: Constraints on the Formation of Extreme Starbursts at Low and High Redshift

    NASA Technical Reports Server (NTRS)

    Goncalves, Thiago S.; Overzier, Roderik; Basu-Zych, Antara; Martin, D. Christopher

    2011-01-01

    Lyman Break Analogs (LBAs), characterized by high far-UV luminosities and surface brightnesses as detected by GALEX, are intensely star-forming galaxies in the low-redshift universe (z approximately equal to 0.2), with star formation rates reaching up to 50 times that of the Milky Way. These objects present metallicities, morphologies and other physical properties similar to higher redshift Lyman Break Galaxies (LBGs), motivating the detailed study of LBAs as local laboratories of this high-redshift galaxy population. We present results from our recent integral-field spectroscopy survey of LBAs with Keck/OSIRIS, which shows that these galaxies have the same nebular gas kinematic properties as high-redshift LBGs. We argue that such kinematic studies alone are not an appropriate diagnostic to rule out merger events as the trigger for the observed starburst. Comparison between the kinematic analysis and morphological indices from HST imaging illustrates the difficulties of properly identifying (minor or major) merger events, with no clear correlation between the results using either of the two methods. Artificial redshifting of our data indicates that this problem becomes even worse at high redshift due to surface brightness dimming and resolution loss. Whether mergers could generate the observed kinematic properties is strongly dependent on gas fractions in these galaxies. We present preliminary results of a CARMA survey for LBAs and discuss the implications of the inferred molecular gas masses for formation models.

  2. Molecular clouds in the North American and Pelican Nebulae: structures

    SciTech Connect

    Zhang, Shaobo; Xu, Ye; Yang, Ji

    2014-03-01

    We present observations of a 4.25 deg{sup 2} area toward the North American and Pelican Nebulae in the J = 1-0 transitions of {sup 12}CO, {sup 13}CO, and C{sup 18}O. Three molecules show different emission areas with their own distinct structures. These different density tracers reveal several dense clouds with a surface density of over 500 M {sub ☉} pc{sup –2} and a mean H{sub 2} column density of 5.8, 3.4, and 11.9 × 10{sup 21} cm{sup –2} for {sup 12}CO, {sup 13}CO, and C{sup 18}O, respectively. We obtain a total mass of 5.4 × 10{sup 4} M {sub ☉} ({sup 12}CO), 2.0 × 10{sup 4} M {sub ☉} ({sup 13}CO), and 6.1 × 10{sup 3} M {sub ☉} (C{sup 18}O) in the complex. The distribution of excitation temperature shows two phases of gas: cold gas (∼10 K) spreads across the whole cloud; warm gas (>20 K) outlines the edge of the cloud heated by the W80 H II region. The kinetic structure of the cloud indicates an expanding shell surrounding the ionized gas produced by the H II region. There are six discernible regions in the cloud: the Gulf of Mexico, Caribbean Islands and Sea, and Pelican's Beak, Hat, and Neck. The areas of {sup 13}CO emission range within 2-10 pc{sup 2} with mass of (1-5) × 10{sup 3} M {sub ☉} and line width of a few km s{sup –1}. The different line properties and signs of star-forming activity indicate they are in different evolutionary stages. Four filamentary structures with complicated velocity features are detected along the dark lane in LDN 935. Furthermore, a total of 611 molecular clumps within the {sup 13}CO tracing cloud are identified using the ClumpFind algorithm. The properties of the clumps suggest that most of the clumps are gravitationally bound and at an early stage of evolution with cold and dense molecular gas.

  3. Molecular tendrils feeding star formation in the Eye of the Medusa. The Medusa merger in high resolution 12CO 2-1 maps

    NASA Astrophysics Data System (ADS)

    König, S.; Aalto, S.; Lindroos, L.; Muller, S.; Gallagher, J. S.; Beswick, R. J.; Petitpas, G.; Jütte, E.

    2014-09-01

    Studying molecular gas properties in merging galaxies gives us important clues to the onset and evolution of interaction-triggered starbursts. NGC 4194 (the Medusa merger) is particularly interesting to study, since its FIR-to-CO luminosity ratio rivals that of ultraluminous galaxies (ULIRGs), despite its lower luminosity compared to ULIRGs, which indicates a high star formation efficiency (SFE) that is relative to even most spirals and ULIRGs. We study the molecular medium at an angular resolution of 0.65'' × 0.52'' (~120 × 98 pc) through our observations of 12CO 2-1 emission using the Submillimeter Array (SMA). We compare our 12CO 2-1 maps with the optical Hubble Space Telescope and high angular resolution radio continuum images to study the relationship between molecular gas and the other components of the starburst region. The molecular gas is tracing the complicated dust lane structure of NGC 4194 with the brightest emission being located in an off-nuclear ring-like structure with ~320 pc radius, the Eye of the Medusa. The bulk CO emission of the ring is found south of the kinematical center of NGC 4194. The northern tip of the ring is associated with the galaxy nucleus, where the radio continuum has its peak. Large velocity widths associated with the radio nucleus support the notion of NGC 4194 hosting an active galactic nucleus. A prominent, secondary emission maximum in the radio continuum is located inside the molecular ring. This suggests that the morphology of the ring is partially influenced by massive supernova explosions. From the combined evidence, we propose that the Eye of the Medusa contains a shell of swept up material where we identify a number of giant molecular associations. We propose that the Eye may be the site of an efficient starburst of 5-7 M⊙ yr-1, but it would still constitute only a fraction of the 30-50 M⊙ yr-1 star formation rate of the Medusa. Furthermore, we find that ~50% of the molecular mass of NGC 4194 is found in

  4. A 2 Millimeter Spectral Line Survey of the Starburst Galaxy NGC 253

    NASA Astrophysics Data System (ADS)

    Martín, S.; Mauersberger, R.; Martín-Pintado, J.; Henkel, C.; García-Burillo, S.

    2006-06-01

    We present the first unbiased molecular line survey toward an extragalactic source, namely the nuclear region of the starburst galaxy NGC 253. The scan covers the frequency band from 129.1 to 175.2 GHz, i.e., most of the 2 mm atmospheric window. We identify 111 spectral features as transitions from 25 different molecular species. Eight of which (three tentatively) are detected for the first time in the extragalactic interstellar medium. Among these newly detected species, we detected the rare isotopomers 34SO and HC18O+. Tentative detections of two deuterated species, DNC and N2D+, are reported for the first time from a target beyond the Magellanic Clouds. In addition, three hydrogen recombination lines are identified, while no organic molecules larger than methanol are detected. Column densities and rotation temperatures are calculated for all the species, including an upper limit to the ethanol abundance. A comparison of the chemical composition of the nuclear environment of NGC 253 with those of selected nearby galaxies demonstrates the chemical resemblance of IC 342 and NGC 4945 to that of NGC 253. On the other hand, the chemistries characterizing NGC 253 and M82 are clearly different. We also present a comparison of the chemical composition of NGC 253 with those observed in Galactic prototypical sources. The chemistry of NGC 253 shows a striking similarity with the chemistry observed toward the Galactic center molecular clouds, which are thought to be dominated by low-velocity shocks. This resemblance strongly suggests that the heating in the nuclear environment of NGC 253 is dominated by the same mechanism as that in the central region of the Milky Way.

  5. Ab initio study of structural and mechanical property of solid molecular hydrogens

    NASA Astrophysics Data System (ADS)

    Ye, Yingting; Yang, Li; Yang, Tianle; Nie, Jinlan; Peng, Shuming; Long, Xinggui; Zu, Xiaotao; Du, Jincheng

    2015-06-01

    Ab initio calculations based on density functional theory (DFT) were performed to investigate the structural and the elastic properties of solid molecular hydrogens (H2). The influence of molecular axes of H2 on structural relative stabilities of hexagonal close-packed (hcp) and face-centered cubic (fcc) structured hydrogen molecular crystals were systematically investigated. Our results indicate that for hcp structures, disordered hydrogen molecule structure is more stable, while for fcc structures, Pa3 hydrogen molecular crystal is most stable. The cohesive energy of fcc H2 crystal was found to be lower than hcp. The mechanical properties of fcc and hcp hydrogen molecular crystals were obtained, with results consistent with previous theoretical calculations. In addition, the effects of zero point energy (ZPE) and van der Waals (vdW) correction on the cohesive energy and the stability of hydrogen molecular crystals were systematically studied and discussed.

  6. Synchrotron-based and globar-sourced molecular (micro)spectroscopy contributions to advances in new hulless barley (with structure alteration) research on molecular structure, molecular nutrition, and nutrient delivery.

    PubMed

    Yang, Ling; Yu, Peiqiang

    2017-01-02

    This paper aimed to review synchrotron-based and globar-sourced molecular infrared (micro)spectroscopy contributions to advances in new hulless barley (with structure alteration) research on molecular structure, molecular nutrition, and nutrient delivery in ruminants. It reviewed recent progress in barley varieties, its utilization for animal and human, inherent structure features and chemical make-up, evaluation and research methodology, breeding progress, rumen degradation, and intestinal digestion. The emphasis of this review was focused on the effect of alteration of carbohydrate traits of newly developed hulless barley on molecular structure changes and nutrient delivery and quantification of the relationship between molecular structure features and changes and truly absorbed nutrient supply to ruminants. This review provides an insight into how inherent structure changes on a molecular basis affect nutrient utilization and availability in ruminants.

  7. A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation

    NASA Astrophysics Data System (ADS)

    Caracelli, Ignez; Vega-Teijido, Mauricio; Zukerman-Schpector, Julio; Cezari, Maria H. S.; Lopes, José G. S.; Juliano, Luiz; Santos, Paulo S.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Tiekink, Edward R. T.

    2012-04-01

    The crystallographically determined structure of biologically active 4,4-dichloro-1,3-diphenyl-4-telluraoct-2-en-1-one, 3, shows the coordination geometry for Te to be distorted ψ-pentagonal bipyramidal based on a C2OCl3(lone pair) donor set. Notable is the presence of an intramolecular axial Te⋯O(carbonyl) interaction, a design element included to reduce hydrolysis. Raman and molecular modelling studies indicate the persistence of the Te⋯O(carbonyl) interaction in the solution (CHCl3) and gas-phases, respectively. Docking studies of 3' (i.e. original 3 less one chloride) with Cathepsin B reveals a change in the configuration about the vinyl Cdbnd C bond, i.e. to E from Z (crystal structure). This isomerism allows the optimisation of interactions in the complex which features a covalent Tesbnd SGCys29 bond. Crucially, the E configuration observed for 3' allows for the formation of a hypervalent Te⋯O interaction as well as an O⋯Hsbnd O hydrogen bond with the Gly27 and Glu122 residues, respectively. Additional stabilisation is afforded by a combination of interactions spanning the S1, S2, S1' and S2' sub-sites of Cathepsin B. The greater experimental inhibitory activity of 3 compared with analogues is rationalised by the additional interactions formed between 3' and the His110 and His111 residues in the occluding loop, which serve to hinder the entrance to the active site.

  8. Prediction of molecular properties including symmetry from quantum-based molecular structural formulas, VIF.

    PubMed

    Alia, Joseph D; Vlaisavljevich, Bess; Abbot, Matthew; Warneke, Hallie; Mastin, Tyson

    2008-10-09

    Structurally covariant valency interaction formulas, VIF, gain chemical significance by comparison with resonance structures and natural bond orbital, NBO, bonding schemes and at the same time allow for additional prediction such as symmetry of ring systems and destabilization of electron pairs with respect to reference energy of -1/2 Eh. Comparisons are based on three chemical interpretations of Sinanoğlu's theory of structural covariance: (1) sets of structurally covariant quantum structural formulas, VIF, are interpreted as the same quantum operator represented in linearly related basis frames; (2) structurally covariant VIF pictures are interpreted as sets of molecular species with similar energy; and (3) the same VIF picture can be interpreted as different quantum operators, one-electron density or Hamiltonian; for example. According to these three interpretations, bond pair, lone pair, and free radical electrons understood in terms of a localized orbital representation are recognized as having energies above, below, or equal to a predetermined reference, frequently-1/2 Eh. The probable position of electron pairs and radical electrons is predicted. The selectivity of concerted ring closures in allyl anion and cation is described. Symmetries of conjugated ring systems are predicted according to their numbers of pi-electrons and spin-multiplicity. The pi-distortivity of benzene is predicted.The 3c/2e- H-bridging bonds in diborane are derived in a natural way according to the notion that the bridging bonds will have delocalizing interactions between them consistent with results of the NBO method. Key chemical bonding motifs are described using VIF. These include 2c/1e-, 2c/2e-, 2c/3e-, 3c/2e-, 3c/3e-,3c/4e-, 4n antiaromatic, and 4n+2 aromatic bonding systems. Some common organic functional groups are represented as VIF pictures and because these pictures can be interpreted simultaneously as one-electron density and Hamiltonian operators, the valence shell

  9. Star Dust Formation Activities in AzTEC-3: A Starburst Galaxy at z=5.3

    NASA Technical Reports Server (NTRS)

    Dwek, Eliahu

    2011-01-01

    Analyses of of high-redshift ultraluminous infrared OR) galaxies traditionally use the observed optical to submillimeter spectral energy distribution (SED) and estimates of the dynamical mass as observational constraints to derive the star formation rate (SFR), the stellar mass, and age of these objects. In this lecture we add this constraint to the analysis of AzTEC-3, a starburst galaxy at z=5.3. We construct different stellar and chemical evolutionary scenarios, constrained to produce the inferred dust mass and observed luminosity before the associated stellar mass exceeds the observational limit. A robust result of our models is that all scenarios require most of the radiating dust mass to have been accreted in molecular clouds. Our new procedure highlights the importance of a multi wavelength approach, and of the use of dust evolution models in constraining the age and the star formation activity and history in galaxies.

  10. Star and Dust Formation Activities in AzTEC-3: A Starburst Galaxy at z equals 5.3

    NASA Technical Reports Server (NTRS)

    Dwek, Eliahu

    2011-01-01

    Analyses of of high-redshift ultraluminous infrared (IR) galaxies traditionally use the observed optical to submillimeter spectral energy distribution (SED) and estimates of the dynamical mass as observational constraints to derive the star formation rate (SFR), the stellar mass, and age of these objects. In this lecture we add this constraint to the analysis of AzTEC-3, a starburst galaxy at z=5.3. We construct different stellar and chemical evolutionary scenarios, constrained to produce the inferred dust mass and observed luminosity before the associated stellar mass exceeds the observational limit. A robust result of our models is that all scenarios require most of the radiating dust mass to have been accreted in molecular clouds. Our new procedure highlights the importance of a multi wavelength approach, and of the use of dust evolution models in constraining the age and the star formation activity and history in galaxies.

  11. Star and Dust Formation Activities in AzTEC-3: A Starburst Galaxy at z=5.3

    NASA Technical Reports Server (NTRS)

    Dwek, Eliahu

    2011-01-01

    Analyses of of high-redshift ultraluminous infrared (IR) galaxies traditionally use the observed optical to submillimeter spectral energy distribution (SED) and estimates of the dynamical mass as observational constraints to derive the star formation rate (SFR), the stellar mass, and age of these objects. In this lecture we add this constraint to the analysis of AzTEC-3, a starburst galaxy at z=5.3. We construct different stellar and chemical evolutionary scenarios, constrained to produce the inferred dust mass and observed luminosity before the associated stellar mass exceeds the observational limit. A robust result of our models is that all scenarios require most of the radiating dust mass to have been accreted in molecular clouds. Our new procedure highlights the importance of a multiwavelength approach, and of the use of dust evolution models in constraining the age and the star formation activity and history in galaxies.

  12. Massive Molecular Outflows and Evidence for AGN Feedback from CO Observations

    DTIC Science & Technology

    2013-11-13

    study the properties of massive, galactic-scale outflows of molecular gas and investigate their impact on galaxy evolution. We present new IRAM PdBI...from the literature, and explore the nature and origin of massive molecular outflows within an extended sample of 19 local galaxies . We find that...starburst-dominated galaxies have an outflow rate comparable to their SFR, or even higher by a factor of ∼2-4, implying that starbursts can indeed be

  13. Resolving the properties of massive, high-redshift starbursts

    NASA Astrophysics Data System (ADS)

    Simpson, James Matthew

    2015-06-01

    Sub-millimeter galaxies (SMGs) are a population of dusty, obscured sources that represent some of the most extreme sites of star-formation in the Universe. These galaxies have total far-infrared (FIR) luminosities of 10E12-10E13Lsol and colossal star formation rates (SFRs) of ∼100-1000 Msol/yr, with the FIR-emission arising due to the reprocessing of ultraviolet radiation from massive, young stars by dust. Despite their discovery nearly 20 years ago, our understanding of the SMG population has been hampered by the coarse resolution (FWHM = 15-30") of single-dish sub-millimeter surveys. In this thesis I present observations of FIR-bright (S870≳1mJy) galaxies that have precise identifications from high-resolution imaging taken with sub-mm/mm interferometers. I present a multi-wavelength study of 96 SMGs that have unambiguous identifications from observations with Atacama Large Millimeter sub-millimeter Array (ALMA) and determine that the photometric redshift distribution for the SMG population has a median of zphot=2.5±0.2. I show that if the star formation activity in SMGs has a timescale of ∼100Myr then their descendants at z∼0 would have a space density and absolute H -band magnitude distribution that are in good agreement with a volume limited sample of local ellipticals. The low resolution of single-dish surveys has led to concerns about the blending of multiple individual galaxies into a single sub-millimeter source. I present ALMA observations of a sample of 30 bright, single-dish-identified sub-mm sources and show that 61(+19 -15)% are comprised of a blend of multiple SMGs brighter than ≳1mJy. Furthermore, I show that source blending boosts the apparent single-dish number counts by 20% at S870>7.5 mJy. A morphological analysis of the far-infrared emission from a subset of 23 of the brightest sources detected in the ALMA maps shows that the intense starburst in SMGs occurs in a compact region with a median physical half-light diameter of 2.4±0.2kpc

  14. Fueling nuclear activity in disk galaxies: Starbursts and monsters

    NASA Astrophysics Data System (ADS)

    Heller, Clayton H.; Shlosman, Isaac

    1994-03-01

    We study the evolution of the gas distribution in a globally unstable galactic disk with a particular emphasis on the gasdynamics in the central kiloparsec and the fueling activity there. The two-component self-gravitating disk is embedded in a responsive halo of comparable mass. The gas and stars are evolved using a three-dimensional hybrid smoothed particle hydrodynamics/N-body code and the gravitational interactions are calculated using a hierarchical TREE algorithm. A massive 'star formation' is introduced when the gas becomes Jeans unstable and locally exceeds the critical density of approximately 100 solar mass pc-3. The newly formed OB stars deposit energy in the gas by means of radiation-driven winds and supernovae. This energy is partially thermalized (efficiency of a few percent); the rest is radiated away. Models without star formation are evolved for a comparison. The effect of a massive object at the disk center is studied by placing a 'seed' black hole (BH) of 5 x 107 solar mass with an accretion radius of 20 pc. The tendency of the system to form a massive object 'spontaneously' is tested in models without the BH. We find that for models without star formation the bar- or dynamical friction-driven inflows lead to (1) domination of the central kpc by a few massive clouds that evolve into a single object probably via a cloud binary system, with and without a 'seed' BH, (2) accretion onto the BH which has a sporadic character, and (3) formation of remnant disks around the BH with a radius of 60-80 pc which result from the capture and digestion of clouds. For models with star formation, we find that (1) the enrgy input into the gas induces angular momentum loss and inflow rates by a factor less than 3, (2) the star formation is concentrated mainly at the apocenters of the gaseous circulation in the stellar bar and in the nuclear region, (3) the nuclear starburst phase appears to be very luminous approximately 1045-1046 erg/s and episodic with a typical

  15. Light-operated machines based on threaded molecular structures.

    PubMed

    Credi, Alberto; Silvi, Serena; Venturi, Margherita

    2014-01-01

    Rotaxanes and related species represent the most common implementation of the concept of artificial molecular machines, because the supramolecular nature of the interactions between the components and their interlocked architecture allow a precise control on the position and movement of the molecular units. The use of light to power artificial molecular machines is particularly valuable because it can play the dual role of "writing" and "reading" the system. Moreover, light-driven machines can operate without accumulation of waste products, and photons are the ideal inputs to enable autonomous operation mechanisms. In appropriately designed molecular machines, light can be used to control not only the stability of the system, which affects the relative position of the molecular components but also the kinetics of the mechanical processes, thereby enabling control on the direction of the movements. This step forward is necessary in order to make a leap from molecular machines to molecular motors.

  16. Quantitative structure-property relationships for predicting Henry's law constant from molecular structure.

    PubMed

    Dearden, John C; Schüürmann, Gerrit

    2003-08-01

    Various models are available for the prediction of Henry's law constant (H) or the air-water partition coefficient (Kaw), its dimensionless counterpart. Incremental methods are based on structural features such as atom types, bond types, and local structural environments; other regression models employ physicochemical properties, structural descriptors such as connectivity indices, and descriptors reflecting the electronic structure. There are also methods to calculate H from the ratio of vapor pressure (p(v)) and water solubility (S(w)) that in turn can be estimated from molecular structure, and quantum chemical continuum-solvation models to predict H via the solvation-free energy (deltaG(s)). This review is confined to methods that calculate H from molecular structure without experimental information and covers more than 40 methods published in the last 26 years. For a subset of eight incremental methods and four continuum-solvation models, a comparative analysis of their prediction performance is made using a test set of 700 compounds that includes a significant number of more complex and drug-like chemical structures. The results reveal substantial differences in the application range as well as in the prediction capability, a general decrease in prediction performance with decreasing H, and surprisingly large individual prediction errors, which are particularly striking for some quantum chemical schemes. The overall best-performing method appears to be the bond contribution method as implemented in the HENRYWIN software package, yielding a predictive squared correlation coefficient (q2) of 0.87 and a standard error of 1.03 log units for the test set.

  17. Crystal and molecular structure of the antimalarial agent enpiroline.

    PubMed

    Karle, J M; Karle, I L

    1989-07-01

    To identify common spatial and structural features of amino alcohol antimalarial agents with the eventual goal of designing more effective drugs and a better understanding of the mechanism of action of this class of antimalarial agents, the three-dimensional crystal and molecular structure of enpiroline, a new antimalarial agent active against chloroquine-resistant Plasmodium falciparum, was determined by X-ray crystallography and compared with the crystal structures of the cinchona alkaloids and of the new antimalarial agent WR 194,965. The aromatic rings of the phenyl-pyridine ring system of enpiroline are twisted from each other by approximately 18 degrees. The intramolecular aliphatic N-O distance in enpiroline was 2.80 A (1 A = 0.1 nm), which is close to the N-O distance found in the antimalarial cinchona alkaloids. Enpiroline contains both an intramolecular hydrogen bond between the aliphatic nitrogen and oxygen atoms and an intermolecular hydrogen bond between the aliphatic nitrogen and oxygen atoms of two neighboring molecules. One enantiomer of enpiroline superimposed best with quinine, and the other enantiomer of enpiroline superimposed best with quinidine, suggesting that both enantiomers of enpiroline possess antimalarial activity. Since a common feature of the crystal structures of the amino alcohol antimalarial agents is the formation of intermolecular hydrogen bonds, the common spatial direction of hydrogen bond formation indicates the potential ability of these antimalarial agents to bind to a common receptor site. The crystallographic parameters were as follows: C19H18F6N5O; Mr = 404.3; symmetry of unit cell, monoclinic; space group, P2(1)/a; parameters of unit cell---a = 9.454 +/- 0.004 A, b = 18.908 +/- 0.008 A, c = 10.300 +/- 0.004 A, and beta = 96.55 +/- 0.03 degrees: V (volume of unit cell) = 1829.2 A3; Z (number of molecules per unit cell) = 4; Dchi (calculated density) = 1.46 g cm-3; source of radiation, CuK alpha (lambda = 1.54178 A); mu

  18. Crystal and molecular structure of the antimalarial agent enpiroline.

    PubMed Central

    Karle, J M; Karle, I L

    1989-01-01

    To identify common spatial and structural features of amino alcohol antimalarial agents with the eventual goal of designing more effective drugs and a better understanding of the mechanism of action of this class of antimalarial agents, the three-dimensional crystal and molecular structure of enpiroline, a new antimalarial agent active against chloroquine-resistant Plasmodium falciparum, was determined by X-ray crystallography and compared with the crystal structures of the cinchona alkaloids and of the new antimalarial agent WR 194,965. The aromatic rings of the phenyl-pyridine ring system of enpiroline are twisted from each other by approximately 18 degrees. The intramolecular aliphatic N-O distance in enpiroline was 2.80 A (1 A = 0.1 nm), which is close to the N-O distance found in the antimalarial cinchona alkaloids. Enpiroline contains both an intramolecular hydrogen bond between the aliphatic nitrogen and oxygen atoms and an intermolecular hydrogen bond between the aliphatic nitrogen and oxygen atoms of two neighboring molecules. One enantiomer of enpiroline superimposed best with quinine, and the other enantiomer of enpiroline superimposed best with quinidine, suggesting that both enantiomers of enpiroline possess antimalarial activity. Since a common feature of the crystal structures of the amino alcohol antimalarial agents is the formation of intermolecular hydrogen bonds, the common spatial direction of hydrogen bond formation indicates the potential ability of these antimalarial agents to bind to a common receptor site. The crystallographic parameters were as follows: C19H18F6N5O; Mr = 404.3; symmetry of unit cell, monoclinic; space group, P2(1)/a; parameters of unit cell---a = 9.454 +/- 0.004 A, b = 18.908 +/- 0.008 A, c = 10.300 +/- 0.004 A, and beta = 96.55 +/- 0.03 degrees: V (volume of unit cell) = 1829.2 A3; Z (number of molecules per unit cell) = 4; Dchi (calculated density) = 1.46 g cm-3; source of radiation, CuK alpha (lambda = 1.54178 A); mu

  19. Molecular Population Genetic Structure in the Piping Plover

    USGS Publications Warehouse

    Miller, Mark P.; Haig, Susan M.; Gratto-Trevor, Cheri L.; Mullins, Thomas D.

    2009-01-01

    The Piping Plover (Charadrius melodus) is a migratory shorebird currently listed as Endangered in Canada and the U.S. Great Lakes, and threatened throughout the remainder of its U.S. breeding and winter range. In this study, we undertook the first comprehensive molecular genetic-based investigation of Piping Plovers. Our primary goals were to (1) address higher level subspecific taxonomic issues, (2) characterize population genetic structure, and (3) make inferences regarding past bottlenecks or population expansions that have occurred within this species. Our analyses included samples of individuals from 23 U.S. States and Canadian Provinces, and were based on mitochondrial DNA sequences (580 bp, n = 245 individuals) and eight nuclear microsatellite loci (n = 229 individuals). Our findings illustrate strong support for separate Atlantic and Interior Piping Plover subspecies (C. m. melodus and C. m. circumcinctus, respectively). Birds from the Great Lakes region were allied with the Interior subspecies group and should be taxonomically referred to as C. m. circumcinctus. Population genetic analyses suggested that genetic structure was stronger among Atlantic birds relative to the Interior group. This pattern indicates that natal and breeding site fidelity may be reduced among Interior birds. Furthermore, analyses suggested that Interior birds have previously experienced genetic bottlenecks, whereas no evidence for such patterns existed among the Atlantic subspecies. Likewise, genetic analyses indicated that the Great Lakes region has experienced a population expansion. This finding may be interpreted as population growth following a previous bottleneck event. No genetic evidence for population expansions was found for Atlantic, Prairie Canada, or U.S. Northern Great Plains individuals. We interpret our population history insights in light of 25 years of Piping Plover census data. Overall, differences observed between Interior and Atlantic birds may reflect

  20. Unraveling the Molecular Mechanisms Underlying the Nasopharyngeal Bacterial Community Structure

    PubMed Central

    de Steenhuijsen Piters, Wouter A. A.

    2016-01-01

    ABSTRACT The upper respiratory tract is colonized by a diverse array of commensal bacteria that harbor potential pathogens, such as Streptococcus pneumoniae. As long as the local microbial ecosystem—also called “microbiome”—is in balance, these potentially pathogenic bacterial residents cause no harm to the host. However, similar to macrobiological ecosystems, when the bacterial community structure gets perturbed, potential pathogens can overtake the niche and cause mild to severe infections. Recent studies using next-generation sequencing show that S. pneumoniae, as well as other potential pathogens, might be kept at bay by certain commensal bacteria, including Corynebacterium and Dolosigranulum spp. Bomar and colleagues are the first to explore a specific biological mechanism contributing to the antagonistic interaction between Corynebacterium accolens and S. pneumoniae in vitro [L. Bomar, S. D. Brugger, B. H. Yost, S. S. Davies, K. P. Lemon, mBio 7(1):e01725-15, 2016, doi:10.1128/mBio.01725-15]. The authors comprehensively show that C. accolens is capable of hydrolyzing host triacylglycerols into free fatty acids, which display antipneumococcal properties, suggesting that these bacteria might contribute to the containment of pneumococcus. This work exemplifies how molecular epidemiological findings can lay the foundation for mechanistic studies to elucidate the host-microbe and microbial interspecies interactions underlying the bacterial community structure. Next, translation of these results to an in vivo setting seems necessary to unveil the magnitude and importance of the observed effect in its natural, polymicrobial setting. PMID:26838716

  1. Pervasive small-scale structure in molecular clouds

    NASA Technical Reports Server (NTRS)

    Martin, B.; Lada, E.

    1986-01-01

    An unbiased CO survey of molecular cloud cores was completed, and the profiles were analyzed within the context of a model for emission from clumpy clouds. It was found that all sources observed contain a significant amount of structure that is not resolved with our 2.3-arcmin beam, and that the parameters which describe the degree of clumping span a remarkably narrow range of the possible values. We studied two separate samples of cloud cores: a large sample of warm cores from the Massachusetts-Stony Brook 12CO survey of the first galactic quadrant, and a sample of cool cores in the Taurus dark clouds chosen primarily on the basis of H2CO emission. We observed all sources in the 1-0 transition of 12CO and 13CO with the 5-m telescope of the Millimeter Wave Observatory. The 12CO/13CO ratios can be explained if there is unresolved structure giving rise to significant variations of opacity across the beam. Our model cloud consists of a large number of identical clumps distributed randomly in the beam. These clumps have velocity widths v small compared to the width of the observed profile, which is determined by the relative motion of the clumps. The entire cloud is isothermal and in local thermodynamic equilibrium. With these assumptions the intensity and linewidth ratios depend on three parameters: the abundance ratio; the peak 13CO opacity through a single clump, tau(0); and the average number of clumps on a line of sight N. Small tau(0) and large N correspond to the microturbulent limit, which is indistinguishable from a uniform gas distribution. In the other extreme, large tau(0) and snall N, at a given velocity at most one clump contributes to the profile on each line of sight. A figure is presented which shows the model parameters which reproduce the measured intensity and linewidth ratios for the sample of warm cores, assuming an abundance ratio of 75.

  2. Characterization of Chitin and Chitosan Molecular Structure in Aqueous Solution

    SciTech Connect

    Franca, Eduardo D.; Lins, Roberto D.; Freitas, Luiz C.; Straatsma, t. P.

    2008-11-08

    Molecular dynamics simulations have been used to characterize the structure of chitin and chitosan fibers in aqueous solutions. Chitin fibers, whether isolated or in the form of a β-chitin nanoparticle, adopt the so-called 2-fold helix with Φ and φ values similar to its crystalline state. In solution, the intramolecular hydrogen bond HO3(n)•••O5(n+1) responsible for the 2-fold helical motif is stabilized by hydrogen bonds with water molecules in a well-defined orientation. On the other hand, chitosan can adopt five distinct helical motifs and its conformational equilibrium is highly dependent on pH. The hydrogen bond pattern and solvation around the O3 atom of insoluble chitosan (basic pH) are nearly identical to these quantities in chitin. Our findings suggest that the solubility and conformation of these polysaccharides are related to the stability of the intrachain HO3(n)•••O5(n+1) hydrogen bond, which is affect by the water exchange around the O3-HO3 hydroxyl group.

  3. The Influence of Molecular Cooling in Pregalactic Structure Formation

    NASA Astrophysics Data System (ADS)

    Stancil, P. C.; Abel, T.; Lepp, S.; Dalgarno, A.

    1999-12-01

    The detailed chemistry and cooling in collapsing primordial clouds will be presented for total baryonic densities up to 106 cm-3. The model consists of 160 reactions of 23 species including H2, HD, HeH+, and LiH, and accounts for 8 different cooling and heating mechanisms. The hydrodynamic evolution of the gas is modeled under the assumptions of free-fall, isothermal, and isobaric collapse as well as for the central regions of 105 M⊙ objects in hierarchical scenarios. The latter being drawn from three-dimensional cosmological hydrodynamical simulations. The dominant processes in the reaction network are identified and a minimal model that accurately predicts the full chemistry will be presented. It is found that radiative cooling due to collisional excitation of HD can lower the temperature in a primordial cloud below that reachable through H2 cooling alone. Further, the temperature evolution is influenced by the choice of the adopted H2 radiative cooling function. Implications for globular cluster and primordial star formation, as well as structure formation on small scales and the importance of molecular cooling in general will be discussed. The work of P.C.S. was supported by the DoE ORNL LDRD Seed Money Fund. T.A. acknowledges support from NSF Grant ASC--9318185. The work of S.L. and A.D. was supported by NSF Cooperative Agreement OSR-9353227 and Astronomical Sciences Grant AST-93-01099, respectively.

  4. Structural basis for the antifolding activity of a molecular chaperone.

    PubMed

    Huang, Chengdong; Rossi, Paolo; Saio, Tomohide; Kalodimos, Charalampos G

    2016-09-08

    Molecular chaperones act on non-native proteins in the cell to prevent their aggregation, premature folding or misfolding. Different chaperones often exert distinct effects, such as acceleration or delay of folding, on client proteins via mechanisms that are poorly understood. Here we report the solution structure of SecB, a chaperone that exhibits strong antifolding activity, in complex with alkaline phosphatase and maltose-binding protein captured in their unfolded states. SecB uses long hydrophobic grooves that run around its disk-like shape to recognize and bind to multiple hydrophobic segments across the length of non-native proteins. The multivalent binding mode results in proteins wrapping around SecB. This unique complex architecture alters the kinetics of protein binding to SecB and confers strong antifolding activity on the chaperone. The data show how the different architectures of chaperones result in distinct binding modes with non-native proteins that ultimately define the activity of the chaperone.

  5. Molecular structures of fructans from Agave tequilana Weber var. azul.

    PubMed

    Lopez, Mercedes G; Mancilla-Margalli, Norma A; Mendoza-Diaz, Guillermo

    2003-12-31

    Agave plants utilize crassulacean acid metabolism (CAM) for CO(2) fixation. Fructans are the principal photosynthetic products generated by agave plants. These carbohydrates are fructose-bound polymers frequently with a single glucose moiety. Agave tequilana Weber var. azul is an economically important CAM species not only because it is the sole plant allowed for tequila production but because it is a potential source of prebiotics. Because of the large amounts of carbohydrates in A. tequilana, in this study the molecular structures of its fructans were determined by fructan derivatization for linkage analysis coupled with gas chromatography-mass spectrometry (GC-MS), nuclear magnetic resonance (NMR), and matrix-assisted laser desorption time-of-flight mass spectrometry (MALDI-TOF-MS). Fructans were extracted from 8-year-old A. tequilana plants. The linkage types present in fructans from A. tequilana were determined by permethylation followed by reductive cleavage, acetylation, and finally GC-MS analysis. Analysis of the degree of polymerization (DP) estimated by (1)H NMR integration and (13)C NMR and confirmed by MALDI-TOF-MS showed a wide DP ranging from 3 to 29 units. All of the analyses performed demonstrated that fructans from A. tequilana consist of a complex mixture of fructooligosaccharides containing principally beta(2 --> 1) linkages, but also beta(2 --> 6) and branch moieties were observed. Finally, it can be stated that fructans from A. tequilana Weber var. azul are not an inulin type as previously thought.

  6. Modeling Carbon and Hydrocarbon Molecular Structures in EZTB

    NASA Technical Reports Server (NTRS)

    Lee, Seungwon; vonAllmen, Paul

    2007-01-01

    A software module that models the electronic and mechanical aspects of hydrocarbon molecules and carbon molecular structures on the basis of first principles has been written for incorporation into, and execution within, the Easy (Modular) Tight-Binding (EZTB) software infrastructure, which is summarized briefly in the immediately preceding article. Of particular interest, this module can model carbon crystals and nanotubes characterized by various coordinates and containing defects, without need to adjust parameters of the physical model. The module has been used to study the changes in electronic properties of carbon nanotubes, caused by bending of the nanotubes, for potential utility as the basis of a nonvolatile, electriccharge- free memory devices. For example, in one application of the module, it was found that an initially 50-nmlong carbon, (10,10)-chirality nanotube, which is a metallic conductor when straight, becomes a semiconductor with an energy gap of .3 meV when bent to a lateral displacement of 4 nm at the middle.

  7. Death Associated Protein Kinases: Molecular Structure and Brain Injury

    PubMed Central

    Nair, Syam; Hagberg, Henrik; Krishnamurthy, Rajanikant; Thornton, Claire; Mallard, Carina

    2013-01-01

    Perinatal brain damage underlies an important share of motor and neurodevelopmental disabilities, such as cerebral palsy, cognitive impairment, visual dysfunction and epilepsy. Clinical, epidemiological, and experimental studies have revealed that factors such as inflammation, excitotoxicity and oxidative stress contribute considerably to both white and grey matter injury in the immature brain. A member of the death associated protein kinase (DAPk) family, DAPk1, has been implicated in cerebral ischemic damage, whereby DAPk1 potentiates NMDA receptor-mediated excitotoxicity through interaction with the NR2BR subunit. DAPk1 also mediate a range of activities from autophagy, membrane blebbing and DNA fragmentation ultimately leading to cell death. DAPk mRNA levels are particularly highly expressed in the developing brain and thus, we hypothesize that DAPk1 may play a role in perinatal brain injury. In addition to reviewing current knowledge, we present new aspects of the molecular structure of DAPk domains, and relate these findings to interacting partners of DAPk1, DAPk-regulation in NMDA-induced cerebral injury and novel approaches to blocking the injurious effects of DAPk1. PMID:23880846

  8. Death associated protein kinases: molecular structure and brain injury.

    PubMed

    Nair, Syam; Hagberg, Henrik; Krishnamurthy, Rajanikant; Thornton, Claire; Mallard, Carina

    2013-07-04

    Perinatal brain damage underlies an important share of motor and neurodevelopmental disabilities, such as cerebral palsy, cognitive impairment, visual dysfunction and epilepsy. Clinical, epidemiological, and experimental studies have revealed that factors such as inflammation, excitotoxicity and oxidative stress contribute considerably to both white and grey matter injury in the immature brain. A member of the death associated protein kinase (DAPk) family, DAPk1, has been implicated in cerebral ischemic damage, whereby DAPk1 potentiates NMDA receptor-mediated excitotoxicity through interaction with the NR2BR subunit. DAPk1 also mediate a range of activities from autophagy, membrane blebbing and DNA fragmentation ultimately leading to cell death. DAPk mRNA levels are particularly highly expressed in the developing brain and thus, we hypothesize that DAPk1 may play a role in perinatal brain injury. In addition to reviewing current knowledge, we present new aspects of the molecular structure of DAPk domains, and relate these findings to interacting partners of DAPk1, DAPk-regulation in NMDA-induced cerebral injury and novel approaches to blocking the injurious effects of DAPk1.

  9. Automatic molecular structure perception for the universal force field.

    PubMed

    Artemova, Svetlana; Jaillet, Léonard; Redon, Stephane

    2016-05-15

    The Universal Force Field (UFF) is a classical force field applicable to almost all atom types of the periodic table. Such a flexibility makes this force field a potential good candidate for simulations involving a large spectrum of systems and, indeed, UFF has been applied to various families of molecules. Unfortunately, initializing UFF, that is, performing molecular structure perception to determine which parameters should be used to compute the UFF energy and forces, appears to be a difficult problem. Although many perception methods exist, they mostly focus on organic molecules, and are thus not well-adapted to the diversity of systems potentially considered with UFF. In this article, we propose an automatic perception method for initializing UFF that includes the identification of the system's connectivity, the assignment of bond orders as well as UFF atom types. This perception scheme is proposed as a self-contained UFF implementation integrated in a new module for the SAMSON software platform for computational nanoscience (http://www.samson-connect.net). We validate both the automatic perception method and the UFF implementation on a series of benchmarks.

  10. Structural basis for the antifolding activity of a molecular chaperone

    PubMed Central

    Huang, Chengdong; Rossi, Paolo; Saio, Tomohide; Kalodimos, Charalampos G.

    2016-01-01

    Molecular chaperones act on non-native proteins in the cell to prevent their aggregation, premature folding or misfolding. Different chaperones often exert distinct effects, such as acceleration or delay of folding, on client proteins via mechanisms that are poorly understood. Here we report the solution structure of SecB, a chaperone that exhibits strong antifolding activity, in complex with alkaline phosphatase (PhoA) and maltose binding protein (MBP) captured in their unfolded states. SecB uses long hydrophobic grooves that run around its disk-like shape to recognize and bind to multiple hydrophobic segments across the length of the non-native proteins. The multivalent binding mode results in proteins wrapping around SecB. This unique complex architecture alters the kinetics of protein binding to SecB and confers strong antifolding activity on the chaperone. The data show how the different architectures of chaperones result in distinct binding modes with non-native proteins that ultimately define the activity of the chaperone. PMID:27501151

  11. Molecular structural characteristics governing biocatalytic oxidation of PAHs with hemoglobin.

    PubMed

    Niu, Junfeng; Yu, Gang

    2004-09-01

    Based on some fundamental quantum chemical descriptors computed by PM3 hamiltonian, two quantitative structure-activity relationship (QSAR) models for biocatalytic oxidation specific activity of unmodified and chemically modified hemoglobin in the oxidation of different polycyclic aromatic hydrocarbons (PAHs) in 15% acetonitrile were developed, respectively, using partial least squares analysis (PLS). The cross-validated Q(cum)(2) values for the two optimal QSAR models are 0.785 and 0.747, respectively, indicating a good predictive ability for biocatalytic oxidation specific activity of PAHs. The main factors affecting specific activity of PAHs are most positive net atomic charges on a hydrogen atom (q(H)(+)), largest negative atomic charge on a carbon atom (q(C)(-)), dipole moment (μ), the energy of the highest occupied molecular orbital (E(HOMO)), and (E(LUMO) - E(HOMO))(2). The biocatalytic oxidation specific activity of PAHs with big q(C)(-) and (E(LUMO) - E(HOMO))(2) values tends to be slow. Increasing q(H)(+), μ, and E(HOMO) values of PAHs leads to increase of specific activity.

  12. Structural basis for the antifolding activity of a molecular chaperone

    NASA Astrophysics Data System (ADS)

    Huang, Chengdong; Rossi, Paolo; Saio, Tomohide; Kalodimos, Charalampos G.

    2016-09-01

    Molecular chaperones act on non-native proteins in the cell to prevent their aggregation, premature folding or misfolding. Different chaperones often exert distinct effects, such as acceleration or delay of folding, on client proteins via mechanisms that are poorly understood. Here we report the solution structure of SecB, a chaperone that exhibits strong antifolding activity, in complex with alkaline phosphatase and maltose-binding protein captured in their unfolded states. SecB uses long hydrophobic grooves that run around its disk-like shape to recognize and bind to multiple hydrophobic segments across the length of non-native proteins. The multivalent binding mode results in proteins wrapping around SecB. This unique complex architecture alters the kinetics of protein binding to SecB and confers strong antifolding activity on the chaperone. The data show how the different architectures of chaperones result in distinct binding modes with non-native proteins that ultimately define the activity of the chaperone.

  13. Local starburst galaxies and their descendants. Statistics from the Sloan Digital Sky Survey

    NASA Technical Reports Server (NTRS)

    Bergvall, Nils; Marquart, Thomas; Way, Michael J.; Blomqvist, Anna; Holst, Emma; Ostlin, Goran; Zackrisson, Erik

    2016-01-01

    Despite strong interest in the starburst phenomenon in extragalactic astronomy, the concept remains ill-defined. Here we use a strict definition of starburst to examine the statistical properties of starburst galaxies in the local universe. We also seek to establish links between starburst galaxies, post-starburst (hereafter postburst) galaxies, and active galaxies. Data were selected from the Sloan Digital Sky Survey DR7. We applied a novel method of treating dust attenuation and derive star formation rates, ages, and stellar masses assuming a two-component stellar population model. Dynamical masses are calculated from the width of the H-alpha line. These masses agree excellently with the photometric masses. The mass (gas+stars) range is approximately 10( exp 9) - 10(exp 11.5) solar mass. As a selection criterion for starburst galaxies, we use, the birthrate parameter, b = SFR/SFR, requiring that b is greater than 3. For postburst galaxies, we use, the equivalent width of Hdelta in absorption with the criterion EW (sub Hdelta_abs) is greater than 6 A. Results. We find that only 1% of star-forming galaxies are starburst galaxies. They contribute 3-6% to the stellar production and are therefore unimportant for the local star formation activity. The median starburst age is 70 Myr roughly independent of mass, indicating that star formation is mainly regulated by local feedback processes. The b-parameter strongly depends on burst age. Values close to b = 60 are found at ages approximately 10 Myr, while almost no starbursts are found at ages greater than 1 Gyr. The median baryonic burst mass fraction of sub-L galaxies is 5% and decreases slowly towards high masses. The median mass fraction of the recent burst in the postburst sample is 5-10%. A smaller fraction of the postburst galaxies, however, originates in non-bursting galaxies. The age-mass distribution of the postburst progenitors (with mass fractions is greater than 3%) is bimodal with a break at logM(solar mass

  14. Local starburst galaxies and their descendants. Statistics from the Sloan Digital Sky Survey

    NASA Technical Reports Server (NTRS)

    Bergvall, Nils; Marquart, Thomas; Way, Michael J.; Blomqvist, Anna; Holst, Emma; Ostlin, Goran; Zackrisson, Erik

    2016-01-01

    Despite strong interest in the starburst phenomenon in extragalactic astronomy, the concept remains ill-defined. Here we use a strict definition of starburst to examine the statistical properties of starburst galaxies in the local universe. We also seek to establish links between starburst galaxies, post-starburst (hereafter postburst) galaxies, and active galaxies. Data were selected from the Sloan Digital Sky Survey DR7. We applied a novel method of treating dust attenuation and derive star formation rates, ages, and stellar masses assuming a two-component stellar population model. Dynamical masses are calculated from the width of the H-alpha line. These masses agree excellently with the photometric masses. The mass (gas+stars) range is approximately 10( exp 9) - 10(exp 11.5) solar mass. As a selection criterion for starburst galaxies, we use, the birthrate parameter, b = SFR/SFR, requiring that b is greater than 3. For postburst galaxies, we use, the equivalent width of Hdelta in absorption with the criterion EW (sub Hdelta_abs) is greater than 6 A. Results. We find that only 1% of star-forming galaxies are starburst galaxies. They contribute 3-6% to the stellar production and are therefore unimportant for the local star formation activity. The median starburst age is 70 Myr roughly independent of mass, indicating that star formation is mainly regulated by local feedback processes. The b-parameter strongly depends on burst age. Values close to b = 60 are found at ages approximately 10 Myr, while almost no starbursts are found at ages greater than 1 Gyr. The median baryonic burst mass fraction of sub-L galaxies is 5% and decreases slowly towards high masses. The median mass fraction of the recent burst in the postburst sample is 5-10%. A smaller fraction of the postburst galaxies, however, originates in non-bursting galaxies. The age-mass distribution of the postburst progenitors (with mass fractions is greater than 3%) is bimodal with a break at logM(solar mass

  15. Investigating molecular structures: Rapidly examining molecular fingerprints through fast passage broadband fourier transform microwave spectroscopy

    NASA Astrophysics Data System (ADS)

    Grubbs, Garry Smith Smitty, II

    Microwave spectroscopy is a gas phase technique typically geared toward measuring the rotational transitions of molecules. The information contained in this type of spectroscopy pertains to a molecules structure, both geometric and electronic, which give insight into a molecule's chemistry. Typically this type of spectroscopy is high resolution, but narrowband ≤1 MHz in frequency. This is achieved by tuning a cavity, exciting a molecule with electromagnetic radiation in the microwave region, turning the electromagnetic radiation off, and measuring a signal from the molecular relaxation in the form of a free induction decay (FID). The FID is then Fourier transformed to give a frequency of the transition. "Fast passage" is defined as a sweeping of frequencies through a transition at a time much shorter (≤10 mus) than the molecular relaxation (≈100 mus). Recent advancements in technology have allowed for the creation of these fast frequency sweeps, known as "chirps", which allow for broadband capabilities. This work presents the design, construction, and implementation of one such novel, high-resolution microwave spectrometer with broadband capabilities. The manuscript also provides the theory, technique, and motivations behind building of such an instrument. In this manuscript it is demonstrated that, although a gas phase technique, solids, liquids, and transient species may be studied with the spectrometer with high sensitivity, making it a viable option for many molecules wanting to be rotationally studied. The spectrometer has a relative correct intensity feature that, when coupled with theory, may ease the difficulty in transition assignment and facilitate dynamic chemical studies of the experiment. Molecules studied on this spectrometer have, in turn, been analyzed and assigned using common rotational spectroscopic analysis. Detailed theory on the analysis of these molecules has been provided. Structural parameters such as rotational constants and

  16. Starburst or AGN Dominance in Submillimetre-Luminous Candidate AGN?

    NASA Astrophysics Data System (ADS)

    Coppin, Kristen; Pope, Alexandra; Menéndez-Delmestre, Karín; Alexander, David M.; Dunlop, James

    2010-06-01

    It is widely believed that ultraluminous infrared (IR) galaxies and active galactic nuclei (AGN) activity are triggered by galaxy interactions and merging, with the peak of activity occurring at z~2, where submillimetre galaxies are thousands of times more numerous than local ULIRGs. In this evolutionary picture, submillimetre galaxies (SMGs) would host an AGN, which would eventually grow a black hole (BH) strong enough to blow off all of the gas and dust leaving an optically luminous QSO. To probe this evolutionary sequence we have focussed on the `missing link' sources, which demonstrate both strong starburst (SB) and AGN signatures, in order to determine if the SB is the main power source even in SMGs when we have evidence that an AGN is present from their IRAC colours. The best way to determine if a dominant AGN is present is to look for their signatures in the mid-infrared with the Spitzer IRS, since often even deep X-ray observations miss identifying the presence of AGN in heavily dust-obscured SMGs. We present the results of our audit of the energy balance between star-formation and AGN within this special sub-population of SMGs-where the BH has grown appreciably to begin heating the dust emission.

  17. Carbon Abundances in Starburst Galaxies of the Local Universe

    NASA Astrophysics Data System (ADS)

    Peña-Guerrero, María A.; Leitherer, Claus; de Mink, Selma; Wofford, Aida; Kewley, Lisa

    2017-10-01

    The cosmological origin of carbon, the fourth most abundant element in the universe, is not well known and a matter of heavy debate. We investigate the behavior of C/O to O/H in order to constrain the production mechanism of carbon. We measured emission-line intensities in the spectral range from 1600 to 10000 Å on Space Telescope Imaging Spectrograph (STIS) long-slit spectra of 18 starburst galaxies in the local universe. We determined chemical abundances through traditional nebular analysis, and we used a Markov Chain Monte Carlo method to determine where our carbon and oxygen abundances lie in the parameter space. We conclude that our C and O abundance measurements are sensible. We analyzed the behavior of our sample in the [C/O] versus [O/H] diagram with respect to other objects such as DLAs, neutral ISM measurements, and disk and halo stars, finding that each type of object seems to be located in a specific region of the diagram. Our sample shows a steeper C/O versus O/H slope with respect to other samples, suggesting that massive stars contribute more to the production of C than N at higher metallicities, only for objects where massive stars are numerous; otherwise, intermediate-mass stars dominate the C and N production.

  18. The Fundamental Parameters of the Starburst Cluster Westerlund 1

    NASA Astrophysics Data System (ADS)

    Damineli, Augusto; de Almeida, Leonardo; Teodoro, Mairan M.; Jablonski, Francisco J.

    2013-06-01

    In spite of many published data about the starburst cluster Westerlund~1, fundamental parameters were not yet published -- at least not with the accuracy necessary for a template to massive star formation. Using several telescopes, ranging from 60-cm to 4-m, we gathered high quality data in the optical and near-infrared. Based on photometric analysis of 30 OBSG stars, we derived a reddening law with α=-1.95±0.16 and A_K= 0.72±0.06 -- compatible with Nishiyama et al. (2006) --, which implies the ratios A_B:A_V:A_R:A_I:A_J:A_K = 1.373:1.00:0.748:0.578:0.198:0.066. Our photometric analysis (using data from a monitoring campaign along 70 nights in the I and H bands) together with radial velocity curve modeling for one of the eclipsing binary systems (Wdeb) resulted in parameters more accurate than those published by Koumpia & Bonanos (2012). We derived a distance of d=4.26 ±0.13 kpc, which was crucial to constrain the luminosities of the massive stellar population (WRs, LBVs, Blue, Yellow, and Red super-giants). Using a reddening-free colour indices, we estimated the spectral type of each star in the sample, identify MS and PMS members, and constrained the cluster age. Variability of massive stars along the last 6 years also is reported.

  19. STAR-FORMING OR STARBURSTING? THE ULTRAVIOLET CONUNDRUM

    SciTech Connect

    Boquien, M.; Calzetti, D.; Hong, S.; Kennicutt, R.; Dale, D.; Engelbracht, C.; Portouw, J.; Gordon, K. D.; Lee, J. C.

    2009-11-20

    Compared to starburst galaxies, normal star-forming galaxies have been shown to display a much larger dispersion of the dust attenuation at fixed reddening through studies of the IRX-beta diagram (the IR/UV ratio 'IRX' versus the UV color 'beta'). To investigate the causes of this larger dispersion and attempt to isolate second parameters, we have used GALEX UV, ground-based optical, and Spitzer infrared imaging of eight nearby galaxies, and examined the properties of individual UV and 24 mum selected star-forming regions. We concentrated on star-forming regions, in order to isolate simpler star formation histories than those that characterize whole galaxies. We find that (1) the dispersion is not correlated with the mean age of the stellar populations; (2) a range of dust geometries and dust extinction curves are the most likely causes for the observed dispersion in the IRX-beta diagram, (3) together with some potential dilution of the most recent star-forming population by older unrelated bursts, at least in the case of star-forming regions within galaxies; and (4) we also recover some general characteristics of the regions, including a tight positive correlation between the amount of dust attenuation and the metal content. Although generalizing our results to whole galaxies may not be immediate, the possibility of a range of dust extinction laws and geometries should be accounted for in the latter systems as well.

  20. Radio identifications of UGC galaxies - Starbursts and monsters

    NASA Astrophysics Data System (ADS)

    Condon, J. J.; Broderick, J. J.

    1988-07-01

    Radio identifications of galaxies in the Uppsala General Catalogue of Galaxies with δ < +82° were made from the Green Bank 1400 MHz sky maps. Every source having peak flux density SP ≥ 150 mJy in the ≈12 arcmin FWHM map point-source response and position <5 arcmin in both coordinates from the optical position of any UGC galaxy was considered a candidate identification to ensure that very extended (up to 1 Mpc) and asymmetric sources would not be missed. Maps in the literature or new 1.49 GHz VLA C array maps made with 18 arcsec resolution were used to confirm or reject candidate identifications. The resulting list of 176 confirmed identifications should be complete, reliable, and suitable for statistical investigations of radio emission from nearby (D < 300 Mpc for H0 = 50 km s-1Mpc-1) galaxies of all morphological types. Three criteria for distinguishing starbursts from monsters on the basis of radio and far-infrared continuum only are given and used to classify the dominant energy sources in the N = 176 confirmed galaxy identifications.

  1. STAR CLUSTER DISRUPTION IN THE STARBURST GALAXY MESSIER 82

    SciTech Connect

    Li, Shuo; Li, Chengyuan; De Grijs, Richard; Anders, Peter

    2015-01-01

    Using high-resolution, multiple-passband Hubble Space Telescope images spanning the entire optical/near-infrared wavelength range, we obtained a statistically complete U-band-selected sample of 846 extended star clusters across the disk of the nearby starburst galaxy M82. Based on a careful analysis of the clusters' spectral energy distributions, we determined their galaxy-wide age and mass distributions. The M82 clusters exhibit three clear peaks in their age distribution, thus defining relatively young, log (t yr{sup –1}) ≤ 7.5, intermediate-age, log (t yr{sup –1}) in [7.5, 8.5], and old samples, log (t yr{sup –1}) ≥ 8.5. Comparison of the completeness-corrected mass distributions offers a firm handle on the galaxy's star cluster disruption history. The most massive star clusters in the young and old samples are (almost) all concentrated in the most densely populated central region, while the intermediate-age sample's most massive clusters are more spatially dispersed, which may reflect the distribution of the highest-density gas throughout the galaxy's evolutionary history, combined with the solid-body nature of the galaxy's central region.

  2. Pathways to Structure-Property Relationships of Peptide-Materials Interfaces: Challenges in Predicting Molecular Structures.

    PubMed

    Walsh, Tiffany R

    2017-07-18

    An in-depth appreciation of how to manipulate the molecular-level recognition between peptides and aqueous materials interfaces, including nanoparticles, will advance technologies based on self-organized metamaterials for photonics and plasmonics, biosensing, catalysis, energy generation and harvesting, and nanomedicine. Exploitation of the materials-selective binding of biomolecules is pivotal to success in these areas and may be particularly key to producing new hierarchically structured biobased materials. These applications could be accomplished by realizing preferential adsorption of a given biomolecule onto one materials composition over another, one surface facet over another, or one crystalline polymorph over another. Deeper knowledge of the aqueous abiotic-biotic interface, to establish clear structure-property relationships in these systems, is needed to meet this goal. In particular, a thorough structural characterization of the surface-adsorbed peptides is essential for establishing these relationships but can often be challenging to accomplish via experimental approaches alone. In addition to myriad existing challenges associated with determining the detailed molecular structure of any molecule adsorbed at an aqueous interface, experimental characterization of materials-binding peptides brings new, complex challenges because many materials-binding peptides are thought to be intrinsically disordered. This means that these peptides are not amenable to experimental techniques that rely on the presence of well-defined secondary structure in the peptide when in the adsorbed state. To address this challenge, and in partnership with experiment, molecular simulations at the atomistic level can bring complementary and critical insights into the origins of this abiotic/biotic recognition and suggest routes for manipulating this phenomenon to realize new types of hybrid materials. For the reasons outlined above, molecular simulation approaches also face

  3. The W43-MM1 mini-starburst ridge, a test for star formation efficiency models

    NASA Astrophysics Data System (ADS)

    Louvet, F.; Motte, F.; Hennebelle, P.; Maury, A.; Bonnell, I.; Bontemps, S.; Gusdorf, A.; Hill, T.; Gueth, F.; Peretto, N.; Duarte-Cabral, A.; Stephan, G.; Schilke, P.; Csengeri, T.; Nguyen Luong, Q.; Lis, D. C.

    2014-10-01

    Context. Star formation efficiency (SFE) theories are currently based on statistical distributions of turbulent cloud structures and a simple model of star formation from cores. They remain poorly tested, especially at the highest densities. Aims: We investigate the effects of gas density on the SFE through measurements of the core formation efficiency (CFE). With a total mass of ~2 × 104 M⊙, the W43-MM1 ridge is one of the most convincing candidate precursor