Molecular clouds in the NGC 6334 and NGC 6357 region: Evidence for a 100 pc-scale cloud-cloud collision triggering the Galactic mini-starbursts

NASA Astrophysics Data System (ADS)

Fukui, Yasuo; Kohno, Mikito; Yokoyama, Keiko; Torii, Kazufumi; Hattori, Yusuke; Sano, Hidetoshi; Nishimura, Atsushi; Ohama, Akio; Yamamoto, Hiroaki; Tachihara, Kengo

2018-05-01

We carried out new CO (J = 1-0, 2-1, and 3-2) observations with NANTEN2 and ASTE in the region of the twin Galactic mini-starbursts NGC 6334 and NGC 6357. We detected two velocity molecular components of 12 km s-1 velocity separation, which is continuous over 3° along the plane. In NGC 6334 the two components show similar two-peaked intensity distributions toward the young H II regions and are linked by a bridge feature. In NGC 6357 we found spatially complementary distribution between the two velocity components as well as a bridge feature in velocity. Based on these results we hypothesize that the two clouds in the two regions collided with each other in the past few Myr and triggered the formation of the starbursts over ˜ 100 pc. We suggest that the formation of the starbursts happened toward the collisional region of extent ˜ 10 pc with initial high molecular column densities. For NGC 6334 we present a scenario which includes spatial variation of the colliding epoch due to non-uniform cloud separation. The scenario possibly explains the apparent age differences among the young O stars in NGC 6334, which range from 104 yr to 106 yr; the latest collision happened within 105 yr toward the youngest stars in NGC 6334 I(N) and I which exhibit molecular outflows without H II regions. For NGC 6357 the O stars were formed a few Myr ago, and the cloud dispersal by the O stars is significant. We conclude that cloud-cloud collision offers a possible explanation of the mini-starburst over a 100 pc scale.

Cosmic ray interactions in starbursting galaxies

NASA Astrophysics Data System (ADS)

Yoast-Hull, Tova M.

High quality gamma-ray and radio observations of nearby galaxies offer an unprecedented opportunity to quantitatively study the properties of their cosmic ray populations. Accounting for various interactions and energy losses, I developed a multi-component, single-zone model of the cosmic ray populations in the central molecular zones of star-forming galaxies. Using observational knowledge of the interstellar medium and star formation, I successfully predicted the radio, gamma-ray, and neutrino spectra for nearby starbursts. Using chi-squared tests to compare the models with observational radio and gamma-ray data, I placed constraints on magnetic field strengths, cosmic ray energy densities, and galactic wind (advection) speeds. The initial models were applied to and tested on the prototypical starburst galaxy M82. To further test the model and to explore the differences in environment between starbursts and active galactic nuclei, I studied NGC 253 and NGC 1068, both nearby giant spiral galaxies which have been detected in gamma-rays. Additionally, I demonstrated that the excess GeV energy gamma-ray emission in the Galactic Center is likely not diffuse emission from an additional population of cosmic rays accelerated in supernova remnants. Lastly, I investigated cosmic ray populations in the starburst nuclei of Arp 220, a nearby ultraluminous infrared galaxy which displays a high-intensity mode of star formation more common in young galaxies, and I showed that the nuclei are efficient cosmic-ray proton calorimeters.

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

NASA Astrophysics Data System (ADS)

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

1994-03-01

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 104/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 106 K/cu cm, might represent the 'typical' interstellar gas pressure in starburst systems. The Far Ultraviolet (FUV) radiation fields illuminating the clouds are 103-104 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 ne is approximately 400/cu cm. This corresponds to a thermal pressure P(H II)/k approximately 7 x 106 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 105 O7.5 stars would produce the observed Lyman continuum photon luminosity. The average separation between the stars is

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.

Nascent starbursts: a missing link in galaxy evolution

NASA Astrophysics Data System (ADS)

Roussel, Helene; Beck, Rainer; Condon, Jim; Helou, George; Smith, John-David

2005-06-01

We have identified a rare category of galaxies characterized by an extreme deficiency in synchro- tron radiation, relative to dust emission, and very high dust temperatures. We studied in detail the most extreme such object, and concluded in favor of a starburst just breaking out, less than one megayear old, in a galaxy having undergone no major star formation episode in the last 100 Myr. Such systems offer a perfect setting to study the initial conditions and early dynamics of starbursts and understand better the regulation of the infrared-radio continuum correlation in galaxies. For the prototypical nascent starburst, the mid-infrared spectrum is quite peculiar, suggesting tran- sient dust species and high optical depth; tracers of dust and molecular gas are the only indicators of unusual activity, and the active regions are likely very compact and dust-bounded, suppressing ionization. Only Spitzer data can provide the needed physical diagnostics for such regions. A sample of 25 nascent starbursts was drawn from the cross-correlation of the IRAS Faint Source Catalog and the NVSS VLA radio survey, and carefully selected based on our multi-wavelength VLA maps to span a range of infrared to radio ratios and luminosities. This sample allows a first step beyond studying prototypes toward a statistical analysis addressing systematic physical pro- perties, classification and search for starburst development sequences. We propose imaging and spectroscopic observations from 3 to 160 microns to characterize the state of the interstellar medium and the gas and dust excitation origin. Our aim is to learn from these unique systems how a star formation burst may develop in its very earliest phases, how it affects the fueling material and the host galaxy. Acquired observations of the radio continuum, cold molecular gas and tracers of shocks and HII regions will help us interpret the rich Spitzer data set and extract a coherent picture of the interstellar medium in our targets.

Starbursts in interacting galaxies: Observations and models

NASA Technical Reports Server (NTRS)

Bernloehr, Konrad

1990-01-01

Starbursts have been a puzzling field of research for more than a decade. It is evident that they played a significant role in the evolution of many galaxies but still quite little is known about the starburst mechanisms. A way towards a better interpretation of the available data is the comparison with evolution models of starburst. The modelling of starbursts and the fitting of such model starbursts to observed data is discussed. The models were applied to a subset of starburst and post-starburst galaxies in a sample of 30 interacting systems. These galaxies are not ultraluminous far infrared (FIR) galaxies but rather ordinary starburst galaxies with FIR luminosities of a few 10(exp 10) to a few 10(exp 11) solar luminosities.

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.

Evolution of Starburst Galaxies in the Illustris Simulation

NASA Astrophysics Data System (ADS)

Wilkinson, C. L.; Pimbblet, K. A.; Stott, J. P.; Few, C. G.; Gibson, B. K.

2018-06-01

There is a consensus in the literature that starburst galaxies are triggered by interaction events. However, it remains an open question as to what extent both merging and non-merging interactions have in triggering starbursts? In this study, we make use of the Illustris simulation to test how different triggering mechanisms can effect starburst events. We examine star formation rate, colour and environment of starburst galaxies to determine if this could be why we witness a bimodality in post-starburst populations within observational studies. Further, we briefly test the extent of quenching due to AGN feedback. From Illustris, we select 196 starburst galaxies at z = 0.15 and split them into post-merger and pre-merger/harassment driven starburst samples. We find that 55% of this sample not undergone a merger in the past 2 Gyr. Both of our samples are located in low-density environments within the filament regions of the cosmic web, however we find that pre-merger/harassment driven starburst are in higher density environments than post-merger driven starbursts. We also find that pre-merger/harassment starbursts are redder than post-merger starbursts, this could be driven by environmental effects. Both however, produce nuclear starbursts of comparable strengths.

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

The origins of post-starburst galaxies at z < 0.05

NASA Astrophysics Data System (ADS)

Pawlik, M. M.; Taj Aldeen, L.; Wild, V.; Mendez-Abreu, J.; Lahén, N.; Johansson, P. H.; Jimenez, N.; Lucas, W.; Zheng, Y.; Walcher, C. J.; Rowlands, K.

2018-06-01

Post-starburst galaxies can be identified via the presence of prominent Hydrogen Balmer absorption lines in their spectra. We present a comprehensive study of the origin of strong Balmer lines in a volume-limited sample of 189 galaxies with 0.01 < z < 0.05, log ({M}_{\\star }/{M}_{⊙})>9.5 and projected axial ratio b/a > 0.32. We explore their structural properties, environments, emission lines, and star formation histories, and compare them to control samples of star-forming and quiescent galaxies, and simulated galaxy mergers. Excluding contaminants, in which the strong Balmer lines are most likely caused by dust-star geometry, we find evidence for three different pathways through the post-starburst phase, with most events occurring in intermediate-density environments: (1) a significant disruptive event, such as a gas-rich major merger, causing a starburst and growth of a spheroidal component, followed by quenching of the star formation (70 per cent of post-starburst galaxies at 9.5< log ({M}_{\\star}/{M}_{⊙})<10.5 and 60 per cent at log ({M}_{\\star}/{M}_{⊙})>10.5); (2) at 9.5< log ({M}_{\\star}/{M}_{⊙})<10.5, stochastic star formation in blue-sequence galaxies, causing a weak burst and subsequent return to the blue sequence (30 per cent); (3) at log ({M}_{\\star}/{M}_{⊙})>10.5, cyclic evolution of quiescent galaxies which gradually move towards the high-mass end of the red sequence through weak starbursts, possibly as a result of a merger with a smaller gas-rich companion (40 per cent). Our analysis suggests that active galactic nuclei (AGNs) are 'on' for 50 per cent of the duration of the post-starburst phase, meaning that traditional samples of post-starburst galaxies with strict emission-line cuts will be at least 50 per cent incomplete due to the exclusion of narrow-line AGNs.

Starburst Galaxies. III. Properties of a Radio-selected Sample

NASA Astrophysics Data System (ADS)

Smith, Denise A.; Herter, Terry; Haynes, Martha P.

1998-02-01

from comparisons with Galactic H II regions. The near-infrared colors of some of the systems may also be influenced by the presence of a low-luminosity active galactic nucleus (AGN). Emission from blue stars and hot dust, if present, dilutes the observed CO index. The activity in the redder, more luminous systems is strongly peaked. The galaxies hosting the starbursts exhibit a wide range of morphological and star-forming properties. While all of the host galaxies are interacting systems, the nuclear separations of the interacting nuclei range from <1 kpc to >1 Mpc. The dynamical behavior ranges from relaxed to strongly perturbed. The off-nuclear regions of the galaxies are sites of active star formation and are characterized by a range of excitation conditions. Spatially extended LINER emission is consistent with shock excitation produced by superwinds or galaxy-galaxy collisions. Violent star formation activity occurs over a larger physical scale in the most active starbursts. Systems containing mergers and widely separated nuclei possess similar colors and luminosities. The burst properties are most likely regulated by the internal structures of the interacting galaxies and not the separations of the interacting galaxies. Observations at the Palomar Observatory were made as part of a continuing collaborative agreement between the California Institute of Technology and Cornell University.

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.

Hubble Spots a Secluded Starburst Galaxy

NASA Image and Video Library

2017-12-08

This image was taken by the NASA/ESA Hubble Space Telescope’s Advanced Camera for Surveys (ACS) and shows a starburst galaxy named MCG+07-33-027. This galaxy lies some 300 million light-years away from us, and is currently experiencing an extraordinarily high rate of star formation — a starburst. Normal galaxies produce only a couple of new stars per year, but starburst galaxies can produce a hundred times more than that. As MCG+07-33-027 is seen face-on, the galaxy’s spiral arms and the bright star-forming regions within them are clearly visible and easy for astronomers to study. In order to form newborn stars, the parent galaxy has to hold a large reservoir of gas, which is slowly depleted to spawn stars over time. For galaxies in a state of starburst, this intense period of star formation has to be triggered somehow — often this happens due to a collision with another galaxy. MCG+07-33-027, however, is special; while many galaxies are located within a large cluster of galaxies, MCG+07-33-027 is a field galaxy, which means it is rather isolated. Thus, the triggering of the starburst was most likely not due to a collision with a neighboring or passing galaxy and astronomers are still speculating about the cause. The bright object to the right of the galaxy is a foreground star in our own galaxy. Image credit: ESA/Hubble & NASA and N. Grogin (STScI)

The evolutionary sequence of post-starburst galaxies

NASA Astrophysics Data System (ADS)

Wilkinson, C. L.; Pimbblet, K. A.; Stott, J. P.

2017-12-01

There are multiple ways in which to select post-starburst galaxies in the literature. In this work, we present a study into how two well-used selection techniques have consequences on observable post-starburst galaxy parameters, such as colour, morphology and environment, and how this affects interpretations of their role in the galaxy duty cycle. We identify a master sample of H δ strong (EWH δ > 3Å) post-starburst galaxies from the value-added catalogue in the seventh data release of the Sloan Digital Sky Survey (SDSS DR7) over a redshift range 0.01 < z < 0.1. From this sample we select two E+A subsets, both having a very little [O II] emission (EW_[O II] > -2.5 Å) but one having an additional cut on EWHα (>-3 Å). We examine the differences in observables and AGN fractions to see what effect the H α cut has on the properties of post-starburst galaxies and what these differing samples can tell us about the duty cycle of post-starburst galaxies. We find that H δ strong galaxies peak in the 'blue cloud', E+As in the 'green valley' and pure E+As in the 'red sequence'. We also find that pure E+As have a more early-type morphology and a higher fraction in denser environments compared with the H δ strong and E+A galaxies. These results suggest that there is an evolutionary sequence in the post-starburst phase from blue discy galaxies with residual star formation to passive red early-types.

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.

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.

GIANT Hα NEBULA SURROUNDING THE STARBURST MERGER NGC 6240

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshida, Michitoshi; Yagi, Masafumi; Komiyama, Yutaka

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 Hαmore » 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.« less

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.

Radio and infrared emission from Markarian starburst galaxies

NASA Technical Reports Server (NTRS)

Stine, Peter C.

1992-01-01

Radio and infrared emission were compared for a sample of 58 Markarian starburst galaxies, chosen to cover a wide range of 60-micron luminosity density. New radio observations were from the VLA at 6 and 20 cm in the B and A configurations. IRAS data were reanalyzed for 25 of the starbursts that were previously undetected at either 25 or 100 microns. The correlation between the global radio and IR emission for the starbursts in the sample is strongest at 25 and 60 microns, wavelengths in which the warm dust dominates. The radio spectral index steepens away from the center. This indicates that nonthermal emission leaks out of the starburst region. The change in the spectral index implies that while nonthermal sources dominate in the entire region, the bulk of the interior emission at 6 cm is thermal. The radio spectral index does not appear to vary as a function of the infrared luminosity or the infrared colors, which indicates that the slope of the initial mass function does not appear to be a function of either the mass or temperature of the starburst.

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

The Frequency of Circumnuclear Starbursts in Seyfert Galaxies --- Testing the Starburst-AGN Connection

NASA Astrophysics Data System (ADS)

Schinnerer, E.; Colbert, E.; Armus, L.; Scoville, N. Z.; Heckman, T. M.

We obtained sub-arcsecond medium resolution near-infrared spectra of a sample of nearby bright Seyfert galaxies (8 Seyfert 1s, 11 Seyfert 2s) using the KeckII telescope. The stellar absorption lines present in the spectra were used in conjunction with population synthesis models to determine the age of the circumnuclear stellar population. Initial analysis of a sub-sample of the Seyfert galaxies has provided no evidence for a connection between the age of the circumnuclear stellar population and the Seyfert type. The derived ages for the circumnuclear stellar population are in the range of 10 Myr to < 0.5 Gyr assuming an instantaneous starburst (using the STARBURST99 models).

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kepley, Amanda A.; Frayer, David; Leroy, Adam K.

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 galaxiesmore » 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.« less

Are starburst galaxies proton calorimeters?

NASA Astrophysics Data System (ADS)

Wang, Xilu; Fields, Brian D.

2018-03-01

Several starburst galaxies have been observed in the GeV and TeV bands. In these dense environments, gamma-ray emission should be dominated by cosmic ray (CR) interactions with the interstellar medium (pcrpism → π0 → γγ). Indeed, starbursts may act as proton `calorimeters' where a substantial fraction of CR energy input is emitted in gamma-rays. Here, we build a one-zone, `thick-target' model implementing calorimetry and placing a firm upper bound on gamma-ray emission from CR interactions. The model assumes that CRs are accelerated by supernovae (SNe), and all suffer nuclear interactions rather than escape. Our model has only two free parameters: the CR proton acceleration energy per SN ɛcr, and the proton injection spectral index s. We calculate the pionic gamma-ray emission from 10 MeV to 10 TeV, and derive thick-target parameters for six galaxies with Fermi, H.E.S.S., and/or VERITAS data. Our model provides good fits for the M82 and NGC 253, and yields ɛcr and s values suggesting that SN CR acceleration is similar in starbursts and in our Galaxy. We find that these starbursts are indeed nearly if not fully proton calorimeters. For NGC 4945 and NGC 1068, the models are consistent with calorimetry but are less well-constrained due to the lack of TeV data. However, the Circinus galaxy and the ultra-luminous infrared galaxy Arp 220 exceed our pionic upper-limit; possible explanations are discussed.

Detection of Escaping Lyman Continuum Radiation in Two Local Starbursts Using FUSE

NASA Astrophysics Data System (ADS)

Leitet, E.; Bergvall, N.; Andersson, B.-G.; Zackrisson, E.

2007-05-01

Dwarf galaxies may play a significant role in the reionization history of the universe, and as such also for the history of structure formation. These galaxies are however too faint to be observed at high redshifts, and it is therefore important to establish the amount of Lyman continuum (LyC) radiation that escape local starbursting dwarf galaxies. The amount of leakage is important to know also in order to improve models of star formation and spectral evolution of galaxies, which if neglected, might lead to false conclusions about the properties of the galaxies themself. Previous attempts to directly observe the leakage of hydrogen-ionizing radiation from local galaxies has before this resulted only in one successful case. In Bergvall et al. (2006 A&A 448, 513) an escape fraction of 4-10 % for the blue compact galaxy Haro 11, was found. In this work the detection and quantification of the LyC escape fractions for two additional local starburst galaxies using the Far Ultraviolet Spectroscopic Explorer, FUSE, is presented. The detections were made using FUSE archival data reduced with the latest, and much improved, pipeline. The LyC continuum can be seen as a faint structure between the Lyman limit of the target galaxies and the Milky Way. From line profile fitting it was found that both galaxies have high column densities of neutral gas, indicating that the LyC radiation is escaping through holes in the ISM. The escape fractions are calculated using spectral evolutionary models, based on the f(900Å), f(960Å) and f(Ha) fluxes. The fact that LyC leakage now is detected in three local starbursting dwarf galaxies is going to have a deep impact on future research on structure formation and galaxy evolution. The next challenge would be to statistically determine the escape fraction in extended surveys of starbursting dwarf galaxies.

Near--Infrared Imaging of the Starburst Ring in UGC12815

NASA Astrophysics Data System (ADS)

Smith, D. A.; Herter, T.; Haynes, M. P.; Neff, S. G.

1995-05-01

Starburst galaxies define an enigmatic class of objects undergoing a brief, intense episode of star formation. In order to investigate the nature of nearby starbursts, we have analyzed the 20 starburst galaxies with the highest 4.85 GHz luminosities from the survey of Condon, Frayer, & Broderick (1991, AJ, 101, 362) at infrared and optical wavelengths. As part of our study, we recently used the Cassegrain Infrared Camera at the Hale 5 m telescope to obtain high spatial resolution near--infrared images of the cores of 17 of these galaxies in order to better understand the starburst triggering mechanism. We find that one galaxy, UGC12815 (NGC7771), possesses a nucleus surrounded by a bright starburst ring. We present 1.25, 1.65, and 2.2 microns (J, H, and K band) images of the nuclear region of UGC12815 and a preliminary analysis of the properties of the starburst ring. The resolution of our K band image is 0.6('') FWHM. The ring is ~ 1.6 kpc (6('') ) in diameter assuming H_0=75 km/s/Mpc; several knots are detected in the ring at 2.2 microns. The spatial distribution of these knots is compared to that observed at 6 cm. The luminosities of the ring and nucleus, as mapped in the near--infrared and radio, are also discussed. Color maps (H-K and J-H) constructed from the near--infrared images trace the relative roles of extinction, and emission from evolved red stars, blue stars, thermal gas, and hot dust in the nucleus and starburst ring. A comparison between UGC12815 and other systems with circumnuclear starbursts is also made.

Correlation between Post-LASIK Starburst Symptom and Ocular Wavefront Aberrations

NASA Astrophysics Data System (ADS)

Liu, Yong-Ji; Mu, Guo-Guang; Wang, Zhao-Qi; Wang-Yan

2006-06-01

Monochromatic aberrations in post laser in-situ keratomileusis (LASIK) eyes are measured. The data are categorized into reference group and starburst group according to the visual symptoms. Statistic analysis has been made to find the correlation between the ocular wavefront aberrations and the starburst symptom. The rms aberrations of the 3rd and 4th orders for the starburst group are significantly larger than those for the reference group. The starburst symptom shows a strong correlation with vertical coma, total coma, spherical aberrations. For 3-mm pupil size and 5.8-mm pupil size, the modulation transfer function (MTF) of the starburst group are lower than those of the reference group, but their visual acuities are close. MTF and PSF analyses are made for two groups, and the results are consistent with the statistical analysis, which means the difference between the two groups is mainly due to the third- and fourth-order Zernike aberrations.

Starburst Galaxies. II. Imaging and Spectroscopy of a Radio-selected Sample

NASA Astrophysics Data System (ADS)

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

1996-06-01

We present J-, H-, and K-band images and low-resolution K-band spectra of the 20 most luminous starburst galaxies from the survey of Condon, Frayer, & Broderick. Optical rotation curves are also shown for 10 of these galaxies. Near-infrared colors, optical depths, CO indices, and dynamical masses are calculated. The near-infrared colors of the starburst nuclei are significantly redder than those observed in "normal" galaxies. Together, the Brγ and radio fluxes available for five of the galaxies imply that the starbursts are heavily obscured; an average extinction of A_V_~ 25 is derived. Strong CO absorption features indicate that late-type evolved stars are present in many of the starbursts. The average dynamical mass of the starburst region is found to be (1.0 +/- 0.4) x 10^9^ M_sun_.

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.

High-redshift Post-starburst Galaxies from the Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Pattarakijwanich, Petchara

Post-starburst galaxies are a rare class of galaxy that show the spectral signature of recent, but not ongoing, star-formation activity, and are thought to have their star formation suddenly quenched within the one billion years preceding the observations. In other words, these are galaxies in the transitional stage between blue, star-forming galaxies and red, quiescent galaxies, and therefore hold important information regarding our understanding of galaxy evolution. This class of objects can be used to study the mechanisms responsible for star-formation quenching, which is an important unsettled question in galaxy evolution. In this thesis, we study this class of galaxies through a number of different approaches. First of all, we systematically selected a large, statistical sample of post-starburst galaxies from the spectroscopic dataset of the Sloan Digital Sky Survey (SDSS). This sample contains 13219 objects in total, with redshifts ranging from local universe to z ˜ 1.3 and median redshift zmedian = 0.59. This is currently the largest sample of post-starburst galaxies available in the literature. Using this sample, we calculated the luminosity functions for a number of redshift bins. A rapid downsizing redshift evolution of the luminosity function is observed, whereby the number density of post-starburst galaxies at fixed luminosity is larger at higher redshift. From the luminosity functions, we calculated the amount of star-formation quenching accounted for in post-starburst galaxies, and compared to the amount required by the global decline of star-formation rate of the universe. We found that only a small fraction (˜ 0.2%) of all star-formation quenching in the universe goes through the post-starburst galaxy channel, at least for the luminous sources in our sample. We also searched the SDSS spectroscopic database the post-starburst quasars, which are an even more special class of objects that show both a post-starburst stellar population and AGN activity

Luminous Infrared Galaxies and the ``Starburst-AGN Connection"

NASA Astrophysics Data System (ADS)

Sanders, D. B.; Kartaltepe, J. S.; Kewley, L. J.; U, Vivian; Yuan, T.; Evans, A. S.; Armus, L.; Mazzarella, J. M.

2009-10-01

Luminous Infrared Galaxies (LIRGs) represent perhaps the most powerful examples of a connection between the fueling of starbursts and active galactic nuclei (AGNs). Major mergers of gas-rich spirals, which are now understood to trigger the majority of LIRGs, drive the bulk of the disk gas into the central kpc of the merger pair, where it provides fuel for both powerful nuclear starbursts and accretion onto a central massive black hole. The combined feedback from starburst and accretion luminosity eventually expels the gas, shutting down nuclear activity and leaving a gas-poor elliptical. Although there is now general agreement on the origin and evolutionary scenario for LIRGs, the detailed time evolution of starburst activity and black hole growth is still not well understood. We review the basic properties of LIRGs as determined from extensive multi-wavelength studies of a complete sample of local objects, and introduce new results from initial observations of fainter more distant LIRGs detected in the Spitzer survey of the HST-COSMOS 2-deg^2 Field.

Galactic outflows, star formation histories, and time-scales in starburst dwarf galaxies from STARBIRDS

NASA Astrophysics Data System (ADS)

McQuinn, Kristen B. W.; Skillman, Evan D.; Heilman, Taryn N.; Mitchell, Noah P.; Kelley, Tyler

2018-07-01

Winds are predicted to be ubiquitous in low-mass, actively star-forming galaxies. Observationally, winds have been detected in relatively few local dwarf galaxies, with even fewer constraints placed on their time-scales. Here, we compare galactic outflows traced by diffuse, soft X-ray emission from Chandra Space Telescope archival observations to the star formation histories derived from Hubble Space Telescope imaging of the resolved stellar populations in six starburst dwarfs. We constrain the longevity of a wind to have an upper limit of 25 Myr based on galaxies whose starburst activity has already declined, although a larger sample is needed to confirm this result. We find an average 16 per cent efficiency for converting the mechanical energy of stellar feedback to thermal, soft X-ray emission on the 25 Myr time-scale, somewhat higher than simulations predict. The outflows have likely been sustained for time-scales comparable to the duration of the starbursts (i.e. 100s Myr), after taking into account the time for the development and cessation of the wind. The wind time-scales imply that material is driven to larger distances in the circumgalactic medium than estimated by assuming short, 5-10 Myr starburst durations, and that less material is recycled back to the host galaxy on short time-scales. In the detected outflows, the expelled hot gas shows various morphologies that are not consistent with a simple biconical outflow structure. The sample and analysis are part of a larger program, the STARBurst IRregular Dwarf Survey (STARBIRDS), aimed at understanding the life cycle and impact of starburst activity in low-mass systems.

Structure of star-burst dendrimers: a comparison between small angle x-ray scattering and computer simulation results.

PubMed

Rathgeber, Silke; Pakula, Tadeusz; Urban, Volker

2004-08-22

We investigated the generation dependent shape and internal structure of star-burst dendrimers under good solvent conditions using small angle x-ray scattering and molecular modeling. Measurements have been performed on poly(amidoamine) dendrimers with generations ranging from g=0 up to g=8 at low concentrations in methanol. We described the static form factor P(q) by a model taking into account the compact, globular shape as well as the loose, polymeric character of dendrimers. Monomer distributions within dendrimers are of special interest for potential applications and have been characterized by the pair correlation function gamma(r), as well as by the monomer and end-group density profile, rho(r) and rho(e)(r), respectively. Monomer density profiles and gamma(r) can be derived from P(q) by modeling and via a model independent approach using the inverse Fourier transformation algorithm first introduced by Glatter. Experimental results are compared with computer simulations performed for single dendrimers of various generations using the cooperative motion algorithm. The simulation gives direct access to gamma(r) and rho(r), allows an independent determination of P(q), and yields in addition to the scattering experiment information about the distribution of the end groups. Excellent qualitative agreement between experiment and simulation has been found. (c) 2004 American Institute of Physics

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.

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

Multi-Wavelength Diagnostics of Starbirth in Starbursts

NASA Astrophysics Data System (ADS)

Waller, William

2005-07-01

From the Orion Nebula to the Hubble Deep Field, starburst activity can be seen transforming galaxian clouds of gas into populous clusters of stars. The pyrotechnics and chemical enrichment associated with this activity have led to outcomes as ubiquitous as interstellar dust and as exquisite as life on Earth. In this talk, I will focus on the circumstances of star formation in the environmental context of ongoing starburst activity. I begin with the premises that (1) the formation of a single star takes time, (2) the formation of a populous cluster takes even more time, and (3) ``stuff'' happens in the interim. Hubble images of the Orion Nebula and Eagle Nebula show how hot stars can excavate neighboring clouds of gas and photoevaporate the star-forming cores that are exposed. Hubble observations of giant HII regions in M33 reveal a significant variation in the stellar populations, such that the most metal-rich HII regions contain the greatest proportions of the most massive stars. ISO and Spitzer observations of these same HII regions reveal corresponding variations in the nebular response. These multi-wavelength diagnostics of the stellar-nebular feedback in galaxian starbursts suggest a star-forming mechanism which is subject to photo-evaporative ablation -- an erosive process that is mediated by the metal abundance and corresponding amounts of protective dust in the starbursting environment.

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.

Nuclear starburst activity induced by elongated bulges in spiral galaxies

NASA Astrophysics Data System (ADS)

Kim, Eunbin; Kim, Sungsoo S.; Choi, Yun-Young; Lee, Gwang-Ho; de Grijs, Richard; Lee, Myung Gyoon; Hwang, Ho Seong

2018-06-01

We study the effects of bulge elongation on the star formation activity in the centres of spiral galaxies using the data from the Sloan Digital Sky Survey Data Release 7. We construct a volume-limited sample of face-on spiral galaxies with Mr < -19.5 mag at 0.02 ≤z< 0.055 by excluding barred galaxies, where the aperture of the SDSS spectroscopic fibre covers the bulges of the galaxies. We adopt the ellipticity of bulges measured by Simard et al. (2011) who performed two-dimensional bulge+disc decompositions using the SDSS images of galaxies, and identify nuclear starbursts using the fibre specific star formation rates derived from the SDSS spectra. We find a statistically significant correlation between bulge elongation and nuclear starbursts in the sense that the fraction of nuclear starbursts increases with bulge elongation. This correlation is more prominent for fainter and redder galaxies, which exhibit higher ratios of elongated bulges. We find no significant environmental dependence of the correlation between bulge elongation and nuclear starbursts. These results suggest that non-axisymmetric bulges can efficiently feed the gas into the centre of galaxies to trigger nuclear starburst activity.

After the Fall: The Dust and Gas in E+A Post-starburst Galaxies

NASA Astrophysics Data System (ADS)

Smercina, A.; Smith, J. D. T.; Dale, D. A.; French, K. D.; Croxall, K. V.; Zhukovska, S.; Togi, A.; Bell, E. F.; Crocker, A. F.; Draine, B. T.; Jarrett, T. H.; Tremonti, C.; Yang, Yujin; Zabludoff, A. I.

2018-03-01

The traditional picture of post-starburst galaxies as dust- and gas-poor merger remnants, rapidly transitioning to quiescence, has been recently challenged. Unexpected detections of a significant interstellar medium (ISM) in many post-starburst galaxies raise important questions. Are they truly quiescent, and if so, what mechanisms inhibit further star formation? What processes dominate their ISM energetics? We present an infrared spectroscopic and photometric survey of 33 E+A post-starbursts selected by the Sloan Digital Sky Survey, aimed at resolving these questions. We find compact, warm dust reservoirs with high PAH abundances and total gas and dust masses significantly higher than expected from stellar recycling alone. Both polycyclic aromatic hydrocarbon (PAH)/total infrared (TIR) and dust-to-burst stellar mass ratios are seen to decrease with post-burst age, indicative of the accumulating effects of dust destruction and an incipient transition to hot, early-type ISM properties. Their infrared spectral properties are unique, with dominant PAH emission, very weak nebular lines, unusually strong H2 rotational emission, and deep [C II] deficits. There is substantial scatter among star formation rate (SFR) indicators, and both PAH and TIR luminosities provide overestimates. Even as potential upper limits, all tracers show that the SFR has typically experienced a decline of more than two orders of magnitude since the starburst and that the SFR is considerably lower than expected given both their stellar masses and molecular gas densities. These results paint a coherent picture of systems in which star formation was, indeed, rapidly truncated, but in which the ISM was not completely expelled, and is instead supported against collapse by latent or continued injection of turbulent or mechanical heating. The resulting aging burst populations provide a “high-soft” radiation field that seemingly dominates the E+A galaxies’ unusual ISM energetics.

Demographics of Starbursts in Nearby Seyfert Galaxies

NASA Astrophysics Data System (ADS)

Schinnerer, E.; Colbert, E.; Armus, L.; Scoville, N. Z.; Heckman, T.

2002-12-01

We investigate the frequency of circumnuclear starbursts in Seyfert galaxies using medium-resolution H and K band spectroscopy. An unbiased sample of ~20 nearby Seyfert galaxies was observed at the KeckII telescope with an average seeing of ~0.7''. Preliminary analysis shows strong stellar absorption lines for most galaxies in our sample. Comparison of stellar equivalent widths in the H and K band will allow us to determine the average age of the dominating stellar population. Evidence for an age trend with Seyfert type would provide a strong hint toward a starburst/AGN connection.

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

Star-formation in the central kpc of the starburst/LINER galaxy NGC 1614

NASA Astrophysics Data System (ADS)

Olsson, E.; Aalto, S.; Thomasson, M.; Beswick, R.

2010-04-01

Aims: The aim is to investigate the star-formation and LINER (low ionization nuclear emission line region) activity within the central kiloparsec of the galaxy NGC 1614. In this paper the radio continuum morphology, which provides a tracer of both nuclear and star-formation activity, and the distribution and dynamics of the cold molecular and atomic gas feeding this activity, are studied. In particular, the nature of an R ≈ 300 pc nuclear ring of star-formation and its relationship to the LINER activity in NGC 1614 is addressed. Methods: A high angular resolution, multi-wavelength study of the LINER galaxy NGC 1614 has been performed. Deep observations of the CO 1-0 spectral line were performed using the Owens Valley Radio Observatory (OVRO). These data have been complemented by extensive multi-frequency radio continuum and Hi absorption observations using the Very Large Array (VLA) and Multi-Element Radio Linked Interferometer Network (MERLIN). Results: Toward the center of NGC 1614, we have detected a ring of radio continuum emission with a radius of 300 pc. This ring is coincident with previous radio and Paα observations. The dynamical mass of the ring based on Hi absorption is 3.1 × 109 M⊙. The peak of the integrated CO 1-0 emission is shifted by 1” to the north-west of the ring center. An upper limit to the molecular gas mass in the ring region is ~1.7 × 109 M⊙. Inside the ring, there is a north to south elongated 1.4 GHz radio continuum feature, with a nuclear peak. This peak is also seen in the 5 GHz radio continuum and in the CO. Conclusions: We suggest that the R = 300 pc star forming ring represents the radius of a dynamical resonance - as an alternative to the scenario that the starburst is propagating outwards from the center into a molecular ring. The ring-like appearance is probably part of a spiral structure. Substantial amounts of molecular gas have passed the radius of the ring and reached the nuclear region. The nuclear peak seen in 5

On the Origins of Starburst and Poststarburst Galaxies in Nearby Clusters

NASA Astrophysics Data System (ADS)

Caldwell, Nelson; Rose, James A.; Dendy, Kristi

1999-01-01

Hubble Space Telescope (HST) Wide Field Planetary Camera 2 images in B (F450W) and I (F814W) have been obtained for three starburst (SB) and two poststarburst (PSB) galaxies in the Coma Cluster and for three such galaxies in the cluster DC 048-52. V (F555W) and I images for an additional PSB galaxy in Coma have been extracted from the HST archive. Six of these galaxies were previously classified as E/S0 on the basis of ground-based images, two as Sa, and the other as an irregular. The HST images reveal these SB/PSB galaxies to be heterogeneous in morphology. Nevertheless, a common theme is that many of them, especially the SB galaxies, tend to have centralized spiral structure that appears simply as a bright ``bulge'' on ground-based images. In addition, while some PSB galaxies exhibit distinct spiral structure, on the whole they have smoother morphologies than the SB galaxies. The morphologies and luminosity profiles are generally consistent with substantial starbursts, in the form of centralized spiral structure (the SB galaxies), that fade into smoother morphologies (the PSB galaxies), with lingering spectroscopic evidence for past central starbursts. An important point is that the PSB galaxies retain disks; i.e., they have not evolved into spheroidal systems. While the morphologies revealed in the HST images are heterogeneous, and thus may not fit well into a single picture, we see evidence in several cases that the morphologies and centralized star formation have been driven by external tidal perturbations. We discuss several physical mechanisms for inducing star formation in cluster galaxies with a view toward explaining the particular morphologies seen in the HST images.

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.

An Infrared Search for Extinguished Supernovae in Starburst Galaxies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grossan, B.; Spillar, E.; Tripp, R.

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 minimizemore » 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

Acceleration of ultrahigh-energy cosmic rays in starburst superwinds

NASA Astrophysics Data System (ADS)

Anchordoqui, Luis Alfredo

2018-03-01

The sources of ultrahigh-energy cosmic rays (UHECRs) have been stubbornly elusive. However, the latest report of the Pierre Auger Observatory provides a compelling indication for a possible correlation between the arrival directions of UHECRs and nearby starburst galaxies. We argue that if starbursts are sources of UHECRs, then particle acceleration in the large-scale terminal shock of the superwind that flows from the starburst engine represents the best known concept model in the market. We investigate new constraints on the model and readjust free parameters accordingly. We show that UHECR acceleration above about 1 011 GeV remains consistent with observation. We also show that the model could accommodate hard source spectra as required by Auger data. We demonstrate how neutrino emission can be used as a discriminator among acceleration models.

Scaling Relations of Starburst-driven Galactic Winds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanner, Ryan; Cecil, Gerald; Heitsch, Fabian, E-mail: rytanner@augusta.edu

2017-07-10

Using synthetic absorption lines generated from 3D hydrodynamical simulations, we explore how the velocity of a starburst-driven galactic wind correlates with the star formation rate (SFR) and SFR density. We find strong correlations for neutral and low ionized gas, but no correlation for highly ionized gas. The correlations for neutral and low ionized gas only hold for SFRs below a critical limit set by the mass loading of the starburst, above which point the scaling relations flatten abruptly. Below this point the scaling relations depend on the temperature regime being probed by the absorption line, not on the mass loading.more » The exact scaling relation depends on whether the maximum or mean velocity of the absorption line is used. We find that the outflow velocity of neutral gas can be up to five times lower than the average velocity of ionized gas, with the velocity difference increasing for higher ionization states. Furthermore, the velocity difference depends on both the SFR and mass loading of the starburst. Thus, absorption lines of neutral or low ionized gas cannot easily be used as a proxy for the outflow velocity of the hot gas.« less

Welcome to the Twilight Zone: The Mid-infrared Properties of Post-starburst Galaxies

NASA Astrophysics Data System (ADS)

Alatalo, Katherine; Bitsakis, Theodoros; Lanz, Lauranne; Lacy, Mark; Brown, Michael J. I.; French, K. Decker; Ciesla, Laure; Appleton, Philip N.; Beaton, Rachael L.; Cales, Sabrina L.; Crossett, Jacob; Falcón-Barroso, Jesús; Kelson, Daniel D.; Kewley, Lisa J.; Kriek, Mariska; Medling, Anne M.; Mulchaey, John S.; Nyland, Kristina; Rich, Jeffrey A.; Urry, C. Meg

2017-07-01

We investigate the optical and Wide-field Survey Explorer (WISE) colors of “E+A” identified post-starburst galaxies, including a deep analysis of 190 post-starbursts detected in the 2 μm All Sky Survey Extended Source Catalog. The post-starburst galaxies appear in both the optical green valley and the WISE Infrared Transition Zone. Furthermore, we find that post-starbursts occupy a distinct region of [3.4]-[4.6] versus [4.6]-[12] WISE colors, enabling the identification of this class of transitioning galaxies through the use of broadband photometric criteria alone. We have investigated possible causes for the WISE colors of post-starbursts by constructing a composite spectral energy distribution (SED), finding that the mid-infrared (4-12 μm) properties of post-starbursts are consistent with either 11.3 μm polycyclic aromatic hydrocarbon emission, or thermally pulsating asymptotic giant branch (TP-AGB) and post-AGB stars. The composite SED of extended post-starburst galaxies with 22 μm emission detected with signal-to-noise ratio ≥slant 3 requires a hot dust component to produce their observed rising mid-infrared SED between 12 and 22 μm. The composite SED of WISE 22 μm non-detections (S/N < 3), created by stacking 22 μm images, is also flat, requiring a hot dust component. The most likely source of the mid-infrared emission of these E+A galaxies is a buried active galactic nucleus (AGN). The inferred upper limits to the Eddington ratios of post-starbursts are 10-2-10-4, with an average of 10-3. This suggests that AGNs are not radiatively dominant in these systems. This could mean that including selections capable of identifying AGNs as part of a search for transitioning and post-starburst galaxies would create a more complete census of the transition pathways taken as a galaxy quenches its star formation.

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

NASA Astrophysics Data System (ADS)

Banerjee, Sambaran

2017-03-01

How starburst clusters form out of molecular clouds is still an open question. In this article, I highlight some of the key constraints in this regard, that one can get from the dynamical evolutionary properties of dense stellar systems. I particularly focus on secular expansion of massive star clusters and hierarchical merging of sub-clusters, and discuss their implications vis-á-vis the observed properties of young massive clusters. The analysis suggests that residual gas expulsion is necessary for shaping these clusters as we see them today, irrespective of their monolithic or hierarchical mode of formation.

Stellar populations dominated by massive stars in dusty starburst galaxies across cosmic time

NASA Astrophysics Data System (ADS)

Zhang, Zhi-Yu; Romano, D.; Ivison, R. J.; Papadopoulos, Padelis P.; Matteucci, F.

2018-06-01

All measurements of cosmic star formation must assume an initial distribution of stellar masses—the stellar initial mass function—in order to extrapolate from the star-formation rate measured for typically rare, massive stars (of more than eight solar masses) to the total star-formation rate across the full stellar mass spectrum1. The shape of the stellar initial mass function in various galaxy populations underpins our understanding of the formation and evolution of galaxies across cosmic time2. Classical determinations of the stellar initial mass function in local galaxies are traditionally made at ultraviolet, optical and near-infrared wavelengths, which cannot be probed in dust-obscured galaxies2,3, especially distant starbursts, whose apparent star-formation rates are hundreds to thousands of times higher than in the Milky Way, selected at submillimetre (rest-frame far-infrared) wavelengths4,5. The 13C/18O isotope abundance ratio in the cold molecular gas—which can be probed via the rotational transitions of the 13CO and C18O isotopologues—is a very sensitive index of the stellar initial mass function, with its determination immune to the pernicious effects of dust. Here we report observations of 13CO and C18O emission for a sample of four dust-enshrouded starbursts at redshifts of approximately two to three, and find unambiguous evidence for a top-heavy stellar initial mass function in all of them. A low 13CO/C18O ratio for all our targets—alongside a well tested, detailed chemical evolution model benchmarked on the Milky Way6—implies that there are considerably more massive stars in starburst events than in ordinary star-forming spiral galaxies. This can bring these extraordinary starbursts closer to the `main sequence' of star-forming galaxies7, although such main-sequence galaxies may not be immune to changes in initial stellar mass function, depending on their star-formation densities.

Stellar populations dominated by massive stars in dusty starburst galaxies across cosmic time.

PubMed

Zhang, Zhi-Yu; Romano, D; Ivison, R J; Papadopoulos, Padelis P; Matteucci, F

2018-06-01

All measurements of cosmic star formation must assume an initial distribution of stellar masses-the stellar initial mass function-in order to extrapolate from the star-formation rate measured for typically rare, massive stars (of more than eight solar masses) to the total star-formation rate across the full stellar mass spectrum 1 . The shape of the stellar initial mass function in various galaxy populations underpins our understanding of the formation and evolution of galaxies across cosmic time 2 . Classical determinations of the stellar initial mass function in local galaxies are traditionally made at ultraviolet, optical and near-infrared wavelengths, which cannot be probed in dust-obscured galaxies 2,3 , especially distant starbursts, whose apparent star-formation rates are hundreds to thousands of times higher than in the Milky Way, selected at submillimetre (rest-frame far-infrared) wavelengths 4,5 . The 13 C/ 18 O isotope abundance ratio in the cold molecular gas-which can be probed via the rotational transitions of the 13 CO and C 18 O isotopologues-is a very sensitive index of the stellar initial mass function, with its determination immune to the pernicious effects of dust. Here we report observations of 13 CO and C 18 O emission for a sample of four dust-enshrouded starbursts at redshifts of approximately two to three, and find unambiguous evidence for a top-heavy stellar initial mass function in all of them. A low 13 CO/C 18 O ratio for all our targets-alongside a well tested, detailed chemical evolution model benchmarked on the Milky Way 6 -implies that there are considerably more massive stars in starburst events than in ordinary star-forming spiral galaxies. This can bring these extraordinary starbursts closer to the 'main sequence' of star-forming galaxies 7 , although such main-sequence galaxies may not be immune to changes in initial stellar mass function, depending on their star-formation densities.

Ultrahigh energy cosmic rays from nearby starburst galaxies

NASA Astrophysics Data System (ADS)

Attallah, Reda; Bouchachi, Dallel

2018-04-01

Ultrahigh energy cosmic rays are the most energetic of any subatomic particles ever observed in nature. The quest for their mysterious origin is currently a major scientific challenge. Here we explore the possibility that these particles originate from nearby starburst galaxies, a scenario that matches the recent observation by the Telescope Array experiment of a cosmic-ray hotspot above 57 EeV not far from the direction of the starburst galaxy M82. Specifically, we study the stochastic propagation in space of ultrahigh energy cosmic rays through the state-of-the-art simulation framework CRPropa 3, taking into account all relevant particle interactions as well as deflections by the intervening magnetic fields. To ensure a comprehensive understanding of this model, we consider the energy spectrum, the cosmogenic neutrinos and gamma rays, and the distribution of arrival directions. The starburst galaxy scenario reproduces well observations from both the Telescope Array and Pierre Auger Observatories, making it very attractive for explaining the origin of cosmic rays at the highest energies.

Ultrahigh energy cosmic rays from nearby starburst galaxies

NASA Astrophysics Data System (ADS)

Attallah, Reda; Bouchachi, Dallel

2018-07-01

Ultrahigh energy cosmic rays are the most energetic of any subatomic particles ever observed in nature. The quest for their mysterious origin is currently a major scientific challenge. Here we explore the possibility that these particles originate from nearby starburst galaxies, a scenario that matches the recent observation by the Telescope Array experiment of a cosmic ray hotspot above 57 EeV not far from the direction of the starburst galaxy M82. Specifically, we study the stochastic propagation in space of ultrahigh ENERGY cosmic rays through the state-of-the-art simulation framework CRPROPA 3, taking into account all relevant particle interactions as well as deflections by the intervening magnetic fields. To ensure a comprehensive understanding of this model, we consider the energy spectrum, the cosmogenic neutrinos and gamma rays, and the distribution of arrival directions. The starburst galaxy scenario reproduces well observations from both the Telescope Array and Pierre Auger Observatories, making it very attractive for explaining the origin of cosmic rays at the highest energies.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Westmoquette, M. S.; Smith, L. J.; Konstantopoulos, I. S.

2009-12-01

compact clouds 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.« less

Spectral molecular line surveys of active galaxies

NASA Astrophysics Data System (ADS)

Villicana Pedraza, Ilhuiyolitzin

The enormous mass of molecular gas and dust found in the nuclei of active galaxies has a major role in feeding the activity (either starburst or AGN) and therefore in the galactic evolution. Thus, observations of the molecular can provide clues to identify and analyze the type of activity in very deeply obscured galactic nuclei. Indeed, studies of the chemical composition in starburst galaxies via wide band spectral has shown the potential of molecular spectroscopy to trace the physical and chemical propierties of their central ISM material. In this work we present the analysis of the emission of molecules such as HCN, CCH, CN,CS,HCO+, HNC, CH3OH, among others obtained from the survey of spectra of the 3 near seyfert galaxies observed with the APEX Telescope. We have also found that one of the molecules is not at LTE conditions- H3O+ molecule. Whether radiatively pumped or maser enhanced, the emission of H3O+ is emerging from a different region from most other molecules (distributed in two molecular lobes seen as the two velocity components). H3O+ emission peaks close to the systemic velocity of the system, particularly clear in NGC 253, which suggest the emission to be centrally peaked towards the nuclear engine, It is common in the same kind of galaxies? In adition, preliminar conclusions show isotopic ratio 12C/13C in starburst galaxies is higher than nuclei of the Milky Way indicating that interestelar matter in starburst nuclei is less processed than in the nucleus of the Milky Way .There are two possible explanations for this effect in starburst, nucleosynthesis differences due stellar population history and acretion of matter from halo.

Measuring AGN & Starburst Wind Properties with ALMA

NASA Astrophysics Data System (ADS)

Lacy, Mark; Chatterjee, Suchetana; Nyland, Kristina; Kimball, Amy; Mason, Brian; Rocha, Graca

2018-01-01

The Sunyaev-Zeldovich (SZ) effect is one of the few ways to constrain the energetically-dominant hot component of winds from AGN and starbursts. Studies of stacked data from Planck and ground-based mm/submm single dish telescopes have found significant detections of SZ from quasars, but contamination from other phenomena are hard to rule out given the large beams of single dishes. Direct detection of these winds is just feasible with observations with current facilities (VLA and ALMA), but with ngVLA we should be able to go beyond detections, and start to map the SZ effect around these objects. In this poster I will present predictions for the detectability of SZ decrements from AGN and hyperluminous starbursts using ngVLA parameters.

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.

The Lesser Role of Starbursts in Star Formation at z = 2

NASA Astrophysics Data System (ADS)

Rodighiero, G.; Daddi, E.; Baronchelli, I.; Cimatti, A.; Renzini, A.; Aussel, H.; Popesso, P.; Lutz, D.; Andreani, P.; Berta, S.; Cava, A.; Elbaz, D.; Feltre, A.; Fontana, A.; Förster Schreiber, N. M.; Franceschini, A.; Genzel, R.; Grazian, A.; Gruppioni, C.; Ilbert, O.; Le Floch, E.; Magdis, G.; Magliocchetti, M.; Magnelli, B.; Maiolino, R.; McCracken, H.; Nordon, R.; Poglitsch, A.; Santini, P.; Pozzi, F.; Riguccini, L.; Tacconi, L. J.; Wuyts, S.; Zamorani, G.

2011-10-01

Two main modes of star formation are know to control the growth of galaxies: a relatively steady one in disk-like galaxies, defining a tight star formation rate (SFR)-stellar mass sequence, and a starburst mode in outliers to such a sequence which is generally interpreted as driven by merging. Such starburst galaxies are rare but have much higher SFRs, and it is of interest to establish the relative importance of these two modes. PACS/Herschel observations over the whole COSMOS and GOODS-South fields, in conjunction with previous optical/near-IR data, have allowed us to accurately quantify for the first time the relative contribution of the two modes to the global SFR density in the redshift interval 1.5 < z < 2.5, i.e., at the cosmic peak of the star formation activity. The logarithmic distributions of galaxy SFRs at fixed stellar mass are well described by Gaussians, with starburst galaxies representing only a relatively minor deviation that becomes apparent for SFRs more than four times higher than on the main sequence. Such starburst galaxies represent only 2% of mass-selected star-forming galaxies and account for only 10% of the cosmic SFR density at z ~ 2. Only when limited to SFR > 1000 M sun yr-1, off-sequence sources significantly contribute to the SFR density (46% ± 20%). We conclude that merger-driven starbursts play a relatively minor role in the formation of stars in galaxies, whereas they may represent a critical phase toward the quenching of star formation and morphological transformation in galaxies.

Diffuse Hard X-Ray Emission in Starburst Galaxies as Synchrotron from Very High Energy Electrons

NASA Astrophysics Data System (ADS)

Lacki, Brian C.; Thompson, Todd A.

2013-01-01

The origin of the diffuse hard X-ray (2-10 keV) emission from starburst galaxies is a long-standing problem. We suggest that synchrotron emission of 10-100 TeV electrons and positrons (e ±) can contribute to this emission, because starbursts have strong magnetic fields. We consider three sources of e ± at these energies: (1) primary electrons directly accelerated by supernova remnants, (2) pionic secondary e ± created by inelastic collisions between cosmic ray (CR) protons and gas nuclei in the dense interstellar medium of starbursts, and (3) pair e ± produced between the interactions between 10 and 100 TeV γ-rays and the intense far-infrared (FIR) radiation fields of starbursts. We create one-zone steady-state models of the CR population in the Galactic center (R <= 112 pc), NGC 253, M82, and Arp 220's nuclei, assuming a power-law injection spectrum for electrons and protons. We consider different injection spectral slopes, magnetic field strengths, CR acceleration efficiencies, and diffusive escape times, and include advective escape, radiative cooling processes, and secondary and pair e ±. We compare these models to extant radio and GeV and TeV γ-ray data for these starbursts, and calculate the diffuse synchrotron X-ray and inverse Compton (IC) luminosities of these starbursts in the models which satisfy multiwavelength constraints. If the primary electron spectrum extends to ~PeV energies and has a proton/electron injection ratio similar to the Galactic value, we find that synchrotron emission contributes 2%-20% of their unresolved, diffuse hard X-ray emission. However, there is great uncertainty in this conclusion because of the limited information on the CR electron spectrum at these high energies. IC emission is likewise a minority of the unresolved X-ray emission in these starbursts, from 0.1% in the Galactic center to 10% in Arp 220's nuclei, with the main uncertainty being the starbursts' magnetic field. We also model generic starbursts, including

Extragalactic chemistry of molecular gas: lessons from the local universe.

PubMed

García-Burillo, S; Fuente, A; Martín-Pintado, J; Usero, A; Graciá-Carpio, J; Planesas, P

2006-01-01

Observational constraints provided by high resolution and high sensitivity observations of external galaxies made in the millimetre and sub-millimetre range have started to put on a firm footing the study of the extragalactic chemistry of molecular gas. In particular, the availability of multi-species and multi-line surveys of nearby galaxies is central to the interpretation of existent and forthcoming millimetre observations of the high redshift universe. Probing the physical and chemical status of molecular gas in starbursts and active galaxies (AGN) requires the use of specific tracers of the relevant energetic phenomena that are known to be at play in these galaxies: large-scale shocks, strong UV fields, cosmic rays and X-rays. We present below the first results of an ongoing survey, allying the IRAM 30 m telescope with the Plateau de Bure interferometer (PdBI), devoted to the study of the chemistry of molecular gas in a sample of starbursts and AGN of the local universe. These observations highlight the existence of a strong chemical differentiation in the molecular disks of starbursts and AGN.

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

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.

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

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.

The Impact of Starbursts on the Gaseous Halos of Galaxies

NASA Astrophysics Data System (ADS)

Heckman, Timothy

2009-07-01

Perhaps the most important {yet uncertain} aspects of galaxy evolution are the processes by which galaxies accrete gas and by which the resulting star formation and black hole growth affects this accreting gas. It is believed that both the form of the accretion and the nature of the feedback change as a function of the galaxy mass. At low mass the gas comes in cold and the feedback is provided by massive stars. At high mass, the gas comes in hot, and the feedback is from an AGN. The changeover occurs near the mass where the galaxy population transitions from star-forming galaxies to red and dead ones. The population of red and dead galaxies is building with cosmic time, and it is believed that feedback plays an imporant role in this process: shutting down star formation by heating and/or expelling the reservoir of cold halo gas. To investigate these ideas, we propose to use COS far-UV spectra of background QSOs to measure the properties of the halo gas in a sample of galaxies near the transition mass that have undergone starbursts within the past 100 Myr to 1 Gyr. The galactic wind associated with the starburst is predicted to have affected the properties of the gaseous halo. To test this, we will compare the properties of the halos of the post-starburst galaxies to those of a control sample of galaxies matched in mass and QSO impact parameter. Do the halos of the post-starburst galaxies show a higher incidence rate of Ly-Alpha and metal absorption-lines? Are the kinematics of the halo gas more disturbed in the post-starbursts? Has the wind affected the ionization state and/or the metallicity of the halo? These data will provide fresh new insights into the role of feedback from massive stars on the evolution of galaxies, and may also offer clues about the properties of the QSO metal absorption-line systems at high-redshift.

Circumnuclear starbursts in Seyfert galaxies

NASA Technical Reports Server (NTRS)

Wilson, Andrew S.

1987-01-01

Observational diagnostics for the recognition of circumnuclear star formation in Seyfert galaxies are described and illustrated. These methods include: (1) spatially resolved optical spectroscopy, which allows the emission lines for HII regions to be separated from those originating in gas ionized by the Seyfert nucleus; (2) radio continuum mapping, where the linear radio sources characteristic of the nuclear activity may be distinguished from the diffuse morphology of multiple supernova remnants generated in a starburst; (3) infrared spectroscopic searches for emission features of dust, which are seen in starbursts but not in Seyfert nuclei; (4) the shape of the IRAS spectrum. These various diagnostics agree well as to the presence or absence of ongoing star formation. The IRAS spectra of a significant fraction of Seyferts are dominated by emission from dust heated by stars, not the Seyfert nucleus itself. In these cases, the spectrum is curved, being steep between 25 and 60 microns and flatter between 60 and 100 microns. When the Seyfert nucleus dominates, the 25 to 100 micron spectrum is much flatter. It is suggested that the location of a Seyfert galaxy in the IRAS color-color diagram reflects primarily the relative contributions of the active nucleus and dust heated by stars to the infrared fluxes.

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.

From Luminous Hot Stars to Starburst Galaxies

NASA Astrophysics Data System (ADS)

Conti, Peter S.; Crowther, Paul A.; Leitherer, Claus

2012-10-01

1. Introduction; 2. Observed properties; 3. Stellar atmospheres; 4. Stellar winds; 5. Evolution of single stars; 6. Binaries; 7. Birth of massive stars and star clusters; 8. The interstellar environment; 9. From giant HII regions to HII galaxies; 10. Starburst phenomena; 11. Cosmological implications; References; Index.

THE EVOLUTION OF POST-STARBURST GALAXIES FROM z  ∼ 1 TO THE PRESENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pattarakijwanich, Petchara; Strauss, Michael A.; Ho, Shirley

Post-starburst galaxies are in the transitional stage between blue, star-forming galaxies and red, quiescent galaxies and therefore hold important clues for our understanding of galaxy evolution. In this paper, we systematically searched for and identified a large sample of post-starburst galaxies from the spectroscopic data set of the Sloan Digital Sky Survey (SDSS) Data Release 9. In total, we found more than 6000 objects with redshifts between z  ∼ 0.05 and z  ∼ 1.3, making this the largest sample of post-starburst galaxies in the literature. We calculated the luminosity function of the post-starburst galaxies using two uniformly selected subsamples: the SDSS mainmore » galaxy sample and the Baryon Oscillation Spectroscopic Survey CMASS sample. The luminosity functions are reasonably fit by half-Gaussian functions. The peak magnitudes shift as a function of redshift from M  ∼ −23.5 at z  ∼ 0.8 to M  ∼ −20.3 at z  ∼ 0.1. This is consistent with the downsizing trend, whereby more massive galaxies form earlier than low-mass galaxies. We compared the mass of the post-starburst stellar population found in our sample to the decline of the global star formation rate and found that only a small amount (∼1%) of all star formation quenching in the redshift range z  = 0.2–0.7 results in post-starburst galaxies in the luminosity range our sample is sensitive to. Therefore, luminous post-starburst galaxies are not the place where most of the decline in the star formation rate of the universe is happening.« less

PROBING ELECTRON-CAPTURE SUPERNOVAE: X-RAY BINARIES IN STARBURSTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Linden, T.; Sepinsky, J. F.; Kalogera, V.

We develop population models of high-mass X-ray binaries (HMXBs) formed after bursts of star formation and we investigate the effect of electron-capture supernovae (ECS) of massive ONeMg white dwarfs and the hypothesis that ECS events are associated with typically low supernova kicks imparted to the nascent neutron stars. We identify an interesting ECS bump in the time evolution of HMXB numbers; this bump is caused by significantly increased production of wind-fed HMXBs 20-60 Myr post-starburst. The amplitude and age extent of the ECS bump depend on the strength of ECS kicks and the mass range of ECS progenitors. We alsomore » find that ECS-HMXBs form through a specific evolutionary channel that is expected to lead to binaries with Be donors in wide orbits. These characteristics, along with their sensitivity to ECS properties, provide us with an intriguing opportunity to probe ECS physics and progenitors through studies of starbursts of different ages. Specifically, the case of the Small Magellanic Cloud, with a significant observed population of Be-HMXBs and starburst activity 30-60 Myr ago, arises as a promising laboratory for understanding the role of ECS in neutron star formation.« less

The life cycle of starbursting circumnuclear gas discs

NASA Astrophysics Data System (ADS)

Schartmann, M.; Mould, J.; Wada, K.; Burkert, A.; Durré, M.; Behrendt, M.; Davies, R. I.; Burtscher, L.

2018-01-01

High-resolution observations from the submm to the optical wavelength regime resolve the central few 100 pc region of nearby galaxies in great detail. They reveal a large diversity of features: thick gas and stellar discs, nuclear starbursts, inflows and outflows, central activity, jet interaction, etc. Concentrating on the role circumnuclear discs play in the life cycles of galactic nuclei, we employ 3D adaptive mesh refinement hydrodynamical simulations with the RAMSES code to self-consistently trace the evolution from a quasi-stable gas disc, undergoing gravitational (Toomre) instability, the formation of clumps and stars and the disc's subsequent, partial dispersal via stellar feedback. Our approach builds upon the observational finding that many nearby Seyfert galaxies have undergone intense nuclear starbursts in their recent past and in many nearby sources star formation is concentrated in a handful of clumps on a few 100 pc distant from the galactic centre. We show that such observations can be understood as the result of gravitational instabilities in dense circumnuclear discs. By comparing these simulations to available integral field unit observations of a sample of nearby galactic nuclei, we find consistent gas and stellar masses, kinematics, star formation and outflow properties. Important ingredients in the simulations are the self-consistent treatment of star formation and the dynamical evolution of the stellar distribution as well as the modelling of a delay time distribution for the supernova feedback. The knowledge of the resulting simulated density structure and kinematics on pc scale is vital for understanding inflow and feedback processes towards galactic scales.

Characterizing the origin and impact of the most extreme molecular outflows in the nearby universe

NASA Astrophysics Data System (ADS)

Gowardhan, Avani; Riechers, Dominik A.; Spoon, Henrik; Farrah, Duncan

2018-01-01

Observations over the last decade have revealed that feedback in the form of molecular gas outflows is ubiquitous in local ultra luminous infrared galaxies (ULIRGs). Such outflows can clear the nuclear environments of gas and dust, quench star formation and active galactic nuclei (AGN) growth, and they are a key step in the evolution of dust-obscured AGN to optically luminous quasars. We here present multi-spectral line observations of feedback in the two most powerful molecular gas outflows in the local universe. We spatially resolve the outflows to determine their kinematics and structure and find that they can drive out the molecular gas and quench star formation within ~ few Myr. Applying mid-IR diagnostics to constrain the relative contributions of AGN and nuclear starburst activity, we find that starburst activity plays a significant role in driving the outflow. We discuss the implications for future studies of feedback in the local universe and obscured AGN at high redshift, which is a key target population for JWST and ALMA over the next decade.

The Post-starburst Evolution of Tidal Disruption Event Host Galaxies

DOE Office of Scientific and Technical Information (OSTI.GOV)

French, K. Decker; Zabludoff, Ann; Arcavi, Iair

We constrain the recent star formation histories of the host galaxies of eight optical/UV-detected tidal disruption events (TDEs). Six hosts had quick starbursts of <200 Myr duration that ended 10–1000 Myr ago, indicating that TDEs arise at different times in their hosts’ post-starburst evolution. If the disrupted star formed in the burst or before, the post-burst age constrains its mass, generally excluding O, most B, and highly massive A stars. If the starburst arose from a galaxy merger, the time since the starburst began limits the coalescence timescale and thus the merger mass ratio to more equal than 12:1 inmore » most hosts. This uncommon ratio, if also that of the central supermassive black hole (SMBH) binary, disfavors the scenario in which the TDE rate is boosted by the binary but is insensitive to its mass ratio. The stellar mass fraction created in the burst is 0.5%–10% for most hosts, not enough to explain the observed 30–200× boost in TDE rates, suggesting that the host’s core stellar concentration is more important. TDE hosts have stellar masses 10{sup 9.4}–10{sup 10.3} M {sub ☉}, consistent with the Sloan Digital Sky Survey volume-corrected, quiescent Balmer-strong comparison sample and implying SMBH masses of 10{sup 5.5}–10{sup 7.5} M {sub ☉}. Subtracting the host absorption line spectrum, we uncover emission lines; at least five hosts have ionization sources inconsistent with star formation that instead may be related to circumnuclear gas, merger shocks, or post-AGB stars.« less

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.

Very Luminous X-ray Point Sources in Starburst Galaxies

NASA Astrophysics Data System (ADS)

Colbert, E.; Heckman, T.; Ptak, A.; Weaver, K. A.; Strickland, D.

Extranuclear X-ray point sources in external galaxies with luminosities above 1039.0 erg/s are quite common in elliptical, disk and dwarf galaxies, with an average of ~ 0.5 and dwarf galaxies, with an average of ~0.5 sources per galaxy. These objects may be a new class of object, perhaps accreting intermediate-mass black holes, or beamed stellar mass black hole binaries. Starburst galaxies tend to have a larger number of these intermediate-luminosity X-ray objects (IXOs), as well as a large number of lower-luminosity (1037 - 1039 erg/s) point sources. These point sources dominate the total hard X-ray emission in starburst galaxies. We present a review of both types of objects and discuss possible schemes for their formation.

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.

Exploring the Merger/Starburst/AGN Connection in Nearby Infrared- Luminous Galaxies

NASA Astrophysics Data System (ADS)

Chynoweth, Katie; Knop, Robert; Gibbons, Rachel

2007-02-01

We propose to explore the connection between galaxy interactions, starburst activity, and (in a few cases) AGN activity by obtaining spatially resolved optical spectroscopy of a sample of 11 infrared- luminous galaxies. The targets are chosen from the IRAS Bright Galaxy Sample (BGS), all of which show evidence for an ongoing starburst. Additionally, many of these galaxies are advanced mergers, or show clear signs of strong interactions. The kinematics of these galaxies are complicated, and many of them have significant off-nuclear star formation activity. We plan to use the DensePak Fiber Array on the WIYN 3.5m telescope to obtain spectra across the entire face of each galaxy system. These data in combination with similar data obtained for southern galaxies will contribute to understanding of interacting galaxies, galaxy evolution, and star formation. We will use line ratios, velocities, and profile as a means of tracing the dynamics of the gas, the age, strength, and progress of starburst activity throughout the system, and (for those few galaxies that show it) dynamical processes (e.g. outflows) arising from a central AGN.

Starbursts and Wispy Drops : Surfactants Spreading on Gel Substrates

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Shomeek; Daniels, Karen; Behringer, Robert

2005-11-01

We report a phase diagram for a novel instability seen in drops of nonionic surfactant solution (Triton X-305) spreading on viscoelastic agar gel substrate . This system allows us to examine the effect of varying the effective fluidity/stiffness of aqueous substrates. The morphology is strongly affected by the substrate fluidity, ranging from spreading starbursts of arms on weak gels, to wispy drops on intermediate strength gels, to circular drops on stiff gels. We analyze the dynamics of spreading in the starburst phase, where the arm length grows as t ^3/4 at early times, independent of the gel strength and surfactant concentration. The number of arms is proportional to the surfactant concentration and inversely proportional to the gel strength. Ongoing work is exploring the effects of changing the drop volume.

Zooming in on the Starburst at the Core of the Phoenix Cluster

NASA Astrophysics Data System (ADS)

McDonald, Michael

2011-10-01

In a recently published letter to Nature, we report the discovery of the most X-ray luminous galaxy cluster in the known Universe, within which the intracluster medium is cooling at an unprecedented rate. In the core of this cluster, the brightest cluster galaxy is forming stars at an unmatched rate of 740 Msun/yr, which is highly unusual for this class of galaxy which are typically referred to as "red and dead". We suspect that the extreme cooling and star formation rates are intimately linked: the cooling intracluster gas is most likely providing fuel for the starburst. We request 2 orbits of near-UV and optical broadband WFC3-UVIS imaging in order to morphologically classify this starburst as a result of i} cooling, infalling gas {filamentary UV emission}; ii} a recent merger {tidal tails with both UV and optical emission}; or iii} a starburst- or AGN-driven wind {wide opening angle}. These data will also allow us to determine the stellar populations of both the starburst and the underlying, older stellar populations, and will provide a much sharper view of the central AGN, allowing us to more carefully extract the contribution to the extended UV emission from young stars. Our early results have already received substantial attention from the international press, and we expect that a dramatically improved picture of the heart of this cluster would stir up as much, if not more, interest from the public.

Post-Starburst Galaxies At The End of The E+A Phase

NASA Astrophysics Data System (ADS)

Liu, Charles; Marinelli, Mariarosa; Chang, Madeleine; Lyczko, Camilla; Vega Orozco, Cecilia; SDSS-IV Collaboration

2018-06-01

Post-starburst galaxies, once thought to be rare curiosities, are now recognized to represent a key phase in the galaxy evolution. The post-starburst, or E+A phase, should however not be considered as a single, short-lived phenomenon; rather, it is an extended evolutionary process that occurs a galaxy transitions from an actively star-forming system into a quiescent one. We present a study of nearby galaxies at or near the end of the E+A phase, wherein all star formation has been quenched, the fossilized stellar population of the most recent starburst is highly localized, and the remainder of the galaxy's stellar population is old and quiescent. The luminosity and stellar age distribution of these "end-phase E+As" can provide insights into the evolution of galaxies onto and within the red sequence, from active to passive systems. This work is supported by National Science Foundation grants to CUNY College of Staten Island and the American Museum of Natural History; the College of Staten Island Office of Academic Affairs; the Sherman Fairchild Science Pathways Scholars Program (SP^2) at Barnard College; and the Alfred P. Sloan Foundation.

Starburst Galaxies: Hard X-ray spectra and contribution to the diffuse background

NASA Technical Reports Server (NTRS)

Gruber, Duane E.

1993-01-01

During the period of this grant two main tasks were performed: a determination of a selection criterion for starburst galaxies most likely to emit X-rays, and performance of a pilot study of the X-ray emission from nine such systems. Starburst galaxies may be expected to emit flat-spectrum X-ray at energies above 10 keV resulting from the various remnants of the short-lived massive stars which characterize the starburst. The investigation to determine the optimum sample resulted in a change from an X-ray selected (HEAO-2) sample to infrared selection based on the IRAS catalogue. A much broader sample thereby available for study, and selection could be limited to only the nearest objects and still obtain a reasonably large sample. A sample of 99 of the brightest infrared starburst galaxies was settled on for the X-ray survey. For a set of practical size, this was then reduced to a subset of 53, based on luminosity and nearness. X-ray emission from these objects was individually measured from the UCSD HEAO-1 all-sky survey in four energy bands between 13 keV to 160 keV. This data base consists of about 20 optical disk volumes. Net significance for the result was roughly two sigma, and a very hard spectral shape is indicated for the net spectrum of the surveyed galaxies. With the possibility of detection of the class, it was then felt worthwhile to examine fluxes from these sources in other archival data. This was performed with the HEAO-1 A2 data and the HEAO-2 (EINSTEIN) main archive and slew survey. Positive results were also obtained for the sample, but again at weak significance. With three independent measures of weak X-ray fluxes from nearby starburst galaxies, we wrote a letter to the Astrophysical Journal (enclosed) discussing these results and their likely significance, in particular, for the contribution to the cosmic diffuse x-ray background, perhaps as much as 25 percent.

The shape of the cosmic X-ray background: nuclear starburst discs and the redshift evolution of AGN obscuration

NASA Astrophysics Data System (ADS)

Gohil, R.; Ballantyne, D. R.

2018-04-01

A significant number of active galactic nuclei (AGNs) are observed to be hidden behind dust and gas. The distribution of material around AGNs plays an important role in modelling the cosmic X-ray background (CXB), especially the fraction of type 2 AGNs (f2). One of the possible explanations for obscuration in Seyfert galaxies at intermediate redshifts is dusty starburst discs. We compute the two-dimensional (2D) hydrostatic structure of 768 nuclear starburst discs (NSDs) under various physical conditions and also the distribution of column density along the line of sight (NH) associated with these discs. Then the NH distribution is evolved with redshift by using the redshift-dependent distribution function of input parameters. Parameter f2 shows a strong positive evolution up to z = 2, but only a weak level of enhancement at higher z. The Compton-thin and Compton-thick AGN fractions associated with these starburst regions increase ∝ (1 + z)δ, where δ is estimated to be 1.12 and 1.45, respectively. The reflection parameter Rf associated with column density NH ≥ 1023.5 cm-2 extends from 0.13 at z = 0 to 0.58 at z = 4. A CXB model employing this evolving NH distribution indicates that more compact (Rout < 120 pc) NSDs provide a better fit to the CXB. In addition to `Seyfert-like' AGNs obscured by nuclear starbursts, we predict that 40-60 per cent of quasars must be Compton-thick to produce a peak of the CXB spectrum within the observational uncertainty. The predicted total number counts of AGNs in 8-24 keV bands are in fair agreement with observations from the Nuclear Spectroscopic Telescope Array (NuSTAR).

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}⊙ )˜ 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.

STELLAR POPULATION AND GAS KINEMATICS OF POST-STARBURST QUASARS

NASA Astrophysics Data System (ADS)

Sanmartim, David; Storchi-Bergmann, Thaisa

2018-01-01

Post-Starburst Quasars (PSQs) are an intriguing set of galaxies that simultaneously host AGNs and post-starburst stellar populations, making them one of the most suitable objects to investigate the nature of the connection between these two components. The simultaneous presence of a post-starburst population and nuclear activity may be explained by two possible scenarios. In the secular evolutionary scenario star formation may cease due to exhaustion of the gas, while in the quenching one it may cease abruptly when the nuclear activity is triggered. In order to test these scenarios we have mapped the star formation history, manifestations of nuclear activity and excitation mechanisms in the central kpc of two nearby PSQs by using GMOS-IFU observations. In these two first exploratory studies, we have found that the young and intermediate age populations are located in a ring at ≈300-500 kpc, with some contribution of the intermediate age component also in the central region. In both of them, the gas outflow does not coincide with the young stellar population ring, which suggests that the ring is not being affected by the AGN feedback, but only the innermost regions. The individual study one of the PSQs of the sample has supported the evolutionary scenario, since the post-starburst population is not located close enough to the nucleus, where the outflow is observed. As a general behaviour, we found that outflows velocity are on the order of ~600-800 km/s and the mass outflow rates of ≈0.03-0.1 M⊙/yr, one order of magnitude greater than the AGN accretion rate, which suggests a scenario where the AGN-driven wind has entrained material from the circumnuclear region. In order to increase the statistical significance of our previous results and to distinguish between the proposed scenarios, we are conducting the same analysis to a wider sample of PSQs, which we hope will indicate more conclusively which is the favored scenario. During the meeting, we will present

The identification of post-starburst galaxies at z ˜ 1 using multiwavelength photometry: a spectroscopic verification

NASA Astrophysics Data System (ADS)

Maltby, David T.; Almaini, Omar; Wild, Vivienne; Hatch, Nina A.; Hartley, William G.; Simpson, Chris; McLure, Ross J.; Dunlop, James; Rowlands, Kate; Cirasuolo, Michele

2016-06-01

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 provide a rare opportunity to study this transition phase, but few have currently been spectroscopically identified at high redshift (z > 1). In this paper, we present the spectroscopic verification of a new photometric technique to identify post-starbursts in high-redshift surveys. The method classifies the broad-band optical-near-infrared spectral energy distributions (SEDs) of galaxies using three spectral shape parameters (supercolours), derived from a principal component analysis of model SEDs. When applied to the multiwavelength photometric data in the UKIDSS Ultra Deep Survey, this technique identified over 900 candidate post-starbursts at redshifts 0.5 < z < 2.0. In this study, we present deep optical spectroscopy for a subset of these galaxies, in order to confirm their post-starburst nature. Where a spectroscopic assessment was possible, we find the majority (19/24 galaxies; ˜80 per cent) exhibit the strong Balmer absorption (H δ equivalent width Wλ > 5 Å) and Balmer break, characteristic of post-starburst galaxies. We conclude that photometric methods can be used to select large samples of recently-quenched galaxies in the distant Universe.

A JWST Study of the Starburst-AGN Connection in Merging LIRGs

NASA Astrophysics Data System (ADS)

Armus, Lee; Appleton, P.; Barcos-Munoz, L.; Charmandaris, V.; Diaz-Santos, T.; Evans, A.; Howell, J.; Inami, H.; Larson, K.; Linden, S.; Malkan, M.; Marshall, J.; Mazzarella, J.; Medling, A.; Murphy, E.; Privon, G.; Rich, J.; Sanders, D.; Stierwalt, S.; Surace, J.; U, V.

2017-11-01

Galaxies evolve through a combination of secular processes, such as cold gas accretion, and nonsecular processes, such as galactic mergers, which can trigger massive starbursts and powerful AGN. JWST will transform our understanding of galactic evolution, providing a detailed look at the physics of star formation and black hole growth in nearby and distant galaxies. By using NIRSPEC, NIRCAM and MIRI, we will create a rich dataset for understanding the dynamics and energetics of the ISM on scales of 50-100pc in the nuclei of local Luminous Infrared Galaxies (LIRGs). Our targets cover a range of starburst-to-AGN power and IR spectral properties, and are all visible to JWST over the first 5 months of Cycle-1. We will target each nucleus with the NIRSPEC and MIRI IFUs to cover the full spectral range from 0.96-29 microns, and obtain deep, wide-field NIRCAM and MIRI images in the F150W, F200W, F335M, F444W, F560W, F770W and F1500W filters. The total time for our proposal (NOI #80) is 30.97hrs. Our science-enabling products include multi-wavelength, ancillary datasets from Spitzer, ALMA, JVLA, AKARI and HST, valuable cross-calibration infrared data from Spitzer and AKARI, together with custom spectral fitting software which we will deliver and use to analyze the JWST spectral cubes. The proposed observations will be scientifically compelling in their own right, and they will also demonstrate to the community how to fully explore the power of JWST to unravel the complex galactic ecosystems in nearby active and starburst galaxies. This proposal will set the stage for more extensive studies of active and starburst galaxies at low and high-redshift in Cycle-2 and beyond.

Efficient transfer of genetic material into mammalian cells using Starburst polyamidoamine dendrimers.

PubMed Central

Kukowska-Latallo, J F; Bielinska, A U; Johnson, J; Spindler, R; Tomalia, D A; Baker, J R

1996-01-01

Starburst polyamidoamine dendrimers are a new class of synthetic polymers with unique structural and physical characteristics. These polymers were investigated for the ability to bind DNA and enhance DNA transfer and expression in a variety of mammalian cell lines. Twenty different types of polyamidoamine dendrimers were synthesized, and the polymer structure was confirmed using well-defined analytical techniques. The efficiency of plasmid DNA transfection using dendrimers was examined using two reporter gene systems: firefly luciferase and bacterial beta-galactosidase. The transfections were performed using various dendrimers, and levels of expression of the reporter protein were determined. Highly efficient transfection of a broad range of eukaryotic cells and cell lines was achieved with minimal cytotoxicity using the DNA/dendrimer complexes. However, the ability to transfect cells was restricted to certain types of dendrimers and in some situations required the presence of additional compounds, such as DEAE-dextran, that appeared to alter the nature of the complex. A few cell lines demonstrated enhanced transfection with the addition of chloroquine, indicating endosomal localization of the complexes. The capability of a dendrimer to transfect cells appeared to depend on the size, shape, and number of primary amino groups on the surface of the polymer. However, the specific dendrimer most efficient in achieving transfection varied between different types of cells. These studies demonstrate that Starburst dendrimers can transfect a wide variety of cell types in vitro and offer an efficient method for producing permanently transfected cell lines. Images Fig. 1 Fig. 2 Fig. 4 PMID:8643500

Analytical solution of reaction-diffusion equations for calcium wave propagation in a starburst amacrine cell.

PubMed

Poznanski, R R

2010-09-01

A reaction-diffusion model is presented to encapsulate calcium-induced calcium release (CICR) as a potential mechanism for somatofugal bias of dendritic calcium movement in starburst amacrine cells. Calcium dynamics involves a simple calcium extrusion (pump) and a buffering mechanism of calcium binding proteins homogeneously distributed over the plasma membrane of the endoplasmic reticulum within starburst amacrine cells. The system of reaction-diffusion equations in the excess buffer (or low calcium concentration) approximation are reformulated as a nonlinear Volterra integral equation which is solved analytically via a regular perturbation series expansion in response to calcium feedback from a continuously and uniformly distributed calcium sources. Calculation of luminal calcium diffusion in the absence of buffering enables a wave to travel at distances of 120 μm from the soma to distal tips of a starburst amacrine cell dendrite in 100 msec, yet in the presence of discretely distributed calcium-binding proteins it is unknown whether the propagating calcium wave-front in the somatofugal direction is further impeded by endogenous buffers. If so, this would indicate CICR to be an unlikely mechanism of retinal direction selectivity in starburst amacrine cells.

A connection between star formation activity and cosmic rays in the starburst galaxy M82.

PubMed

2009-12-10

Although Galactic cosmic rays (protons and nuclei) are widely believed to be mainly accelerated by the winds and supernovae of massive stars, definitive evidence of this origin remains elusive nearly a century after their discovery. The active regions of starburst galaxies have exceptionally high rates of star formation, and their large size-more than 50 times the diameter of similar Galactic regions-uniquely enables reliable calorimetric measurements of their potentially high cosmic-ray density. The cosmic rays produced in the formation, life and death of massive stars in these regions are expected to produce diffuse gamma-ray emission through interactions with interstellar gas and radiation. M82, the prototype small starburst galaxy, is predicted to be the brightest starburst galaxy in terms of gamma-ray emission. Here we report the detection of >700-GeV gamma-rays from M82. From these data we determine a cosmic-ray density of 250 eV cm(-3) in the starburst core, which is about 500 times the average Galactic density. This links cosmic-ray acceleration to star formation activity, and suggests that supernovae and massive-star winds are the dominant accelerators.

Very deep IRAS survey - constraints on the evolution of starburst galaxies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hacking, P.; Houck, J.R.; Condon, J.J.

1987-05-01

Counts of sources (primarily starburst galaxies) from a deep 60 microns IRAS survey published by Hacking and Houck (1987) are compared with four evolutionary models. The counts below 100 mJy are higher than expected if no evolution has taken place out to a redshift of approximately 0.2. Redshift measurements of the survey sources should be able to distinguish between luminosity-evolution and density-evolution models and detect as little as a 20 percent brightening or increase in density of infrared sources per billion years ago (H/0/ = 100 km/s per Mpc). Starburst galaxies cannot account for the reported 100 microns background withoutmore » extreme evolution at high redshifts. 21 references.« less

The radial distribution of supernovae in nuclear starbursts

NASA Astrophysics Data System (ADS)

Herrero-Illana, R.; Pérez-Torres, M. A.; Alberdi, A.

2013-05-01

Galaxy-galaxy interactions are expected to be responsible for triggering massive star formation and possibly accretion onto a supermassive black hole, by providing large amounts of dense molecular gas down to the central kiloparsec region. Several scenarios to drive the gas further down to the central ˜100 pc, have been proposed, including the formation of a nuclear disk around the black hole, where massive stars would produce supernovae. Here, we probe the radial distribution of supernovae and supernova remnants in the nuclear regions of the starburst galaxies M82, Arp 299-A, and Arp 220, by using high-angular resolution (≲ 0.''1) radio observations. We derived scale-length values for the putative nuclear disks, which range from ˜20-30 pc for Arp 299-A and Arp 220, up to ˜140 pc for M82. The radial distribution of SNe for the nuclear disks in Arp 299-A and Arp 220 is also consistent with a power-law surface density profile of exponent γ = 1, as expected from detailed hydrodynamical simulations of nuclear disks. This study is detailed in te{herrero-illana12}.

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.

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

Minor Merger Origin for the Circumnuclear Starburst in NGC 7742

NASA Technical Reports Server (NTRS)

Mazzuca, Lisa M.; Sarzi, M.; Knapen, J. H.; Veilleux, S.; Swaters, R.

2006-01-01

We present an emission-line diagnostic analysis of integral-field spectroscopic observations that cover the central kiloparsec of NGC 7742. This Sa galaxy hosts a spectacular nuclear starburst ring and nuclear regions characterized by low-ionization emission. The gas in the ring rotates in the opposite sense to the stars in the galaxy, suggesting a recent merging or acquisition event. The combination of integral-field measurements for the H alpha+[N II] emission lines from DensePak and the H beta and [O 111] emission from SAURON allow the construction of diagnostic diagrams that highlight the transition from star formation in the nuclear ring to excitation by high-velocity shocks or by a central AGN towards the center. DensePak measurements for the [S II] line ratio reveal very low gas densities in the nuclear ring, N(sub e) less than 100 per cubic centimeters, characteristic of massive H II regions. Comparison with MAPPINGS III models for starbursts with low gas densities show that the ring is of roughly solar metallicity. This suggests that the gas in the nuclear ring originated in a stellar system capable of substantially enriching the gas metallicity through sustained star formation. We propose that NGC 7742 cannibalised a smaller galaxy rich in metal-poor gas, and that star formation episodes in the ring have since increased the metallicity to its present value. The techniques explored here can be widely used to study similar systems, including composite (AGN+starburst) galaxies.

A very deep IRAS survey - Constraints on the evolution of starburst galaxies

NASA Astrophysics Data System (ADS)

Hacking, Perry; Condon, J. J.; Houck, J. R.

1987-05-01

Counts of sources (primarily starburst galaxies) from a deep 60 microns IRAS survey published by Hacking and Houck (1987) are compared with four evolutionary models. The counts below 100 mJy are higher than expected if no evolution has taken place out to a redshift of approximately 0.2. Redshift measurements of the survey sources should be able to distinguish between luminosity-evolution and density-evolution models and detect as little as a 20 percent brightening or increase in density of infrared sources per billion years ago (H/0/ = 100 km/s per Mpc). Starburst galaxies cannot account for the reported 100 microns background without extreme evolution at high redshifts.

Evolution of Clustering of Starburst Galaxies in the COSMOS Field

NASA Astrophysics Data System (ADS)

Tribiano, S. M.; Paglione, T. A. D.; Shopbell, P. L.; Capek, P.; Liu, C.; Tyson, N. D.; COSMOS Team

2005-12-01

We measure the angular and spatial correlation function, ω (θ ) on scales of θ = 3" - 300" and ξ (r) on scales of 1-25 h-1 Mpc of 18,801 starburst galaxies (SBGs) with 20 < i+AB < 25 in the COSMOS Field and compare to the correlation functions of the full galaxy sample (180,451 objects) over 0 < z ≤ 2.4. We find in all redshift slices of thickness dz = 0.4, except 0.8 < z ≤ 1.2 for ω (θ ) only, that the amplitude of the clustering of SBGs is greater than that of the full galaxy sample. We report results of fits to a power law profile, measured correlation lengths, and discuss implications for starburst environments. This work is supported by the CUNY Community College Collaborative Research Incentive Grant and the American Museum of Natural History.

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.

A near infrared spectroscopic study of the interstellar gas in the starburst core of M82

NASA Technical Reports Server (NTRS)

Lester, Dan F.; Carr, John; Joy, Marshall; Gaffney, Niall

1990-01-01

Researchers used the McDonald Observatory Infrared Grating Spectrometer, to complete a program of spatially resolved spectroscopy of M82. The inner 300 pc of the starburst was observed with 4 inch (50 pc) resolution. Complete J, H and K band spectra with resolution 0.0035 micron (lambda/delta lambda=620 at K) were measured at the near-infrared nucleus of the galaxy. Measurements of selected spectral features including lines of FeII, HII and H2 were observed along the starburst ridge-line, so the relative distribution of the diagnostic features could be understood. This information was used to better define the extinction towards the starburst region, the excitation conditions in the gas, and to characterize the stellar populations there.

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.

AMPA Receptors Mediate Acetylcholine Release from Starburst Amacrine Cells in the Rabbit Retina

PubMed Central

FIRTH, SALLY I.; LI, WEI; MASSEY, STEPHEN C.; MARSHAK, DAVID W.

2012-01-01

The light response of starburst amacrine cells is initiated by glutamate released from bipolar cells. To identify the receptors that mediate this response, we used a combination of anatomical and physiological techniques. An in vivo, rabbit eyecup was preloaded with [3H]-choline, and the [3H]-acetylcholine (ACh) released into the superfusate was monitored. A photopic, 3 Hz flashing light increased ACh release, and the selective AMPA receptor antagonist, GYKI 53655, blocked this light-evoked response. Nonselective AMPA/kainate agonists increased the release of ACh, but the specific kainate receptor agonist, SYM 2081, did not increase ACh release. Selective AMPA receptor antagonists, GYKI 53655 or GYKI 52466, also blocked the responses to agonists. We conclude that the predominant excitatory input to starburst amacrine cells is mediated by AMPA receptors. We also labeled lightly fixed rabbit retinas with antisera to choline acetyltransferase (ChAT), AMPA receptor subunits GluR1, GluR2/3, or GluR4, and kainate receptor subunits GluR6/7 and KA2. Labeled puncta were observed in the inner plexiform layer with each of these antisera to glutamate receptors, but only GluR2/3-IR puncta and GluR4-IR puncta were found on the ChAT-IR processes. The same was true of starburst cells injected intracellularly with Neurobiotin, and these AMPA receptor subunits were localized to two populations of puncta. The AMPA receptors are expected to desensitize rapidly, enhancing the sensitivity of starburst amacrine cells to moving or other rapidly changing stimuli. PMID:14515241

From H I to Stars: H I Depletion in Starbursts and Star-forming Galaxies in the ALFALFA Hα Survey

NASA Astrophysics Data System (ADS)

Jaskot, A. E.; Oey, M. S.; Salzer, J. J.; Van Sistine, A.; Bell, E. F.; Haynes, M. P.

2015-07-01

H i in galaxies traces the fuel for future star formation and reveals the effects of feedback on neutral gas. Using a statistically uniform, H i-selected sample of 565 galaxies from the Arecibo Legacy Fast ALFA (ALFALFA) Hα survey, we explore H i properties as a function of star formation activity. ALFALFA Hα provides R-band and Hα imaging for a volume-limited subset of the 21 cm ALFALFA survey. We identify eight starbursts based on Hα equivalent width and six with enhanced star formation relative to the main sequence. Both starbursts and non-starbursts have similar H i-to-stellar mass ratios ({M}{{H} {{I}}}/{M}*), which suggests that feedback is not depleting the starbursts’ H i. Consequently, the starbursts do have shorter H i depletion times ({t}{dep}), implying more efficient H i-to-H2 conversion. While major mergers likely drive this enhanced efficiency in some starbursts, the lowest-mass starbursts may experience periodic bursts, consistent with enhanced scatter in {t}{dep} at low {M}*. Two starbursts appear to be pre-coalescence mergers; their elevated {M}{{H} {{I}}}/{M}* suggest that H i-to-H2 conversion is still ongoing at this stage. By comparing with the GASS sample, we find that {t}{dep} anticorrelates with stellar surface density for disks, while spheroids show no such trend. Among early-type galaxies, {t}{dep} does not correlate with bulge-to-disk ratio; instead, the gas distribution may determine the star formation efficiency. Finally, the weak connection between galaxies’ specific star formation rates and {M}{{H} {{I}}}/{M}* contrasts with the well-known correlation between {M}{{H} {{I}}}/{M}* and color. We show that dust extinction can explain the H i-color trend, which may arise from the relationship between {M}*, {M}{{H} {{I}}}, and metallicity.

THE PANCHROMATIC STARBURST IRREGULAR DWARF SURVEY (STARBIRDS): OBSERVATIONS AND DATA ARCHIVE

DOE Office of Scientific and Technical Information (OSTI.GOV)

McQuinn, Kristen B. W.; Mitchell, Noah P.; Skillman, Evan D., E-mail: kmcquinn@astro.umn.edu

2015-06-22

Understanding star formation in resolved low mass systems requires the integration of information obtained from observations at different wavelengths. We have combined new and archival multi-wavelength observations on a set of 20 nearby starburst and post-starburst dwarf galaxies to create a data archive of calibrated, homogeneously reduced images. Named the panchromatic “STARBurst IRregular Dwarf Survey” archive, the data are publicly accessible through the Mikulski Archive for Space Telescopes. This first release of the archive includes images from the Galaxy Evolution Explorer Telescope (GALEX), the Hubble Space Telescope (HST), and the Spitzer Space Telescope (Spitzer) Multiband Imaging Photometer instrument. The datamore » sets include flux calibrated, background subtracted images, that are registered to the same world coordinate system. Additionally, a set of images are available that are all cropped to match the HST field of view. The GALEX and Spitzer images are available with foreground and background contamination masked. Larger GALEX images extending to 4 times the optical extent of the galaxies are also available. Finally, HST images convolved with a 5″ point spread function and rebinned to the larger pixel scale of the GALEX and Spitzer 24 μm images are provided. Future additions are planned that will include data at other wavelengths such as Spitzer IRAC, ground-based Hα, Chandra X-ray, and Green Bank Telescope H i imaging.« less

E+A Galaxy Properties and Post-Starburst Galaxy Evolution Data through SDSS-IV MaNGA and Illustris: A Co-Analysis

NASA Astrophysics Data System (ADS)

Ojanen, Winonah; Dudley, Raymond; Edwards, Kay; Gonzalez, Andrea; Johnson, Amalya; Kerrison, Nicole; Marinelli, Mariarosa; Melchert, Nancy; Liu, Charles; Sloan Collaboration, SDSS-IV MaNGA

2018-01-01

E+A galaxies (Elliptical + A-type stars) are post-starburst galaxies that have experienced a sudden quenching phase. Using previous research methods, 39 candidates out of 2,812 galaxies observed, or 1.4%, were selected from the SDSS-IV MaNGA survey. We then identified morphological characteristics of the 39 galaxies including stellar kinematics, Gini coefficient, gas density and distribution and stellar ages. To study the origin of how E+A galaxies evolved to their present state, galaxy simulation data from the Illustris simulation was utilized to identify similar quenched post-starburst candidates. Seven post-starburst candidates were identified through star formation rate histories of Illustris simulated galaxies. The evolution of these galaxies is studied from 0 to 13.8 billion years ago to identify what caused the starburst and quenching of the Illustris candidates. Similar morphological characteristics of Illustris post-starburst candidates are pulled from before, during, and post-starburst and compared to the same morphological characteristics of the E+A galaxies from SDSS-IV MaNGA. The characteristics and properties of the Illustris galaxies are used to identify the possible evolutionary histories of the observed E+A galaxies. This work was supported by grants AST-1460860 from the National Science Foundation and SDSS FAST/SSP-483 from the Alfred P. Sloan Foundation to the CUNY College of Staten Island.

Obscured Activity and Stellar Mass in z~0.7 Post-starburst Galaxies

NASA Astrophysics Data System (ADS)

Rieke, George; Diamond-Stanic, Aleks; Moustakas, John; Tremonti, Christy

2008-03-01

We are proposing 3.6-24 micron imaging of a sample of z~0.7 post-starburst galaxies. These galaxies are presumed to be late-stage mergers that have evolved past their ULIRG/quasar phase and are in transition to becoming early-type galaxies. We have detected outflowing winds with velocities ranging from 500-2200 km/s for 2/3 of the sample, so it is tempting to conclude that these spectacular outflows are the result of feedback from an AGN that has expelled cold gas quenched star formation. However, it is not clear that the existing near-UV and optical data are telling the full story. With Spitzer, we can verify whether or not these 'post-starburst' galaxies are truly quiescent by measuring the amount obscured star formation and black hole activity. We will also be able to determine how significant the recent starburst event was by accurately measuring stellar mass using the red end of the stellar SED. If these galaxies do have non-negligible dust emission, we will be able to use broad-band colors as blunt tools to measure spectral features and compare to known star-forming galaxies, AGNs, and LIRGs. If not, we will have strong evidence that the feedback event has been able to halt galaxy-wide star formation.

Mathematical Description of Dendrimer Structure

NASA Technical Reports Server (NTRS)

Majoros, Istvan J.; Mehta, Chandan B.; Baker, James R., Jr.

2004-01-01

Characteristics of starburst dendrimers can be easily attributed to the multiplicity of the monomers used to synthesize them. The molecular weight, degree of polymerization, number of terminal groups and branch points for each generation of a dendrimer can be calculated using mathematical formulas incorporating these variables. Mathematical models for the calculation of degree of polymerization, molecular weight, and number of terminal groups and branching groups previously published were revised and elaborated on for poly(amidoamine) (PAMAM) dendrimers, and introduced for poly(propyleneimine) (POPAM) dendrimers and the novel POPAM-PAMAM hybrid, which we call the POMAM dendrimer. Experimental verification of the relationship between theoretical and actual structure for the PAMAM dendrimer was also established.

The State of the Warm and Cold Gas in the Extreme Starburst at the Core of the Phoenix Galaxy Cluster (SPT-CLJ2344-4243)

NASA Astrophysics Data System (ADS)

McDonald, Michael; Swinbank, Mark; Edge, Alastair C.; Wilner, David J.; Veilleux, Sylvain; Benson, Bradford A.; Hogan, Michael T.; Marrone, Daniel P.; McNamara, Brian R.; Wei, Lisa H.; Bayliss, Matthew B.; Bautz, Marshall W.

2014-03-01

We present new optical integral field spectroscopy (Gemini South) and submillimeter spectroscopy (Submillimeter Array) of the central galaxy in the Phoenix cluster (SPT-CLJ2344-4243). This cluster was previously reported to have a massive starburst (~800 M ⊙ yr-1) in the central, brightest cluster galaxy, most likely fueled by the rapidly cooling intracluster medium. These new data reveal a complex emission-line nebula, extending for >30 kpc from the central galaxy, detected at [O II]λλ3726, 3729, [O III]λλ4959, 5007, Hβ, Hγ, Hδ, [Ne III]λ3869, and He II λ4686. The total Hα luminosity, assuming Hα/Hβ = 2.85, is L Hα = 7.6 ± 0.4 ×1043 erg s-1, making this the most luminous emission-line nebula detected in the center of a cool core cluster. Overall, the relative fluxes of the low-ionization lines (e.g., [O II], Hβ) to the UV continuum are consistent with photoionization by young stars. In both the center of the galaxy and in a newly discovered highly ionized plume to the north of the galaxy, the ionization ratios are consistent with both shocks and active galactic nucleus (AGN) photoionization. We speculate that this extended plume may be a galactic wind, driven and partially photoionized by both the starburst and central AGN. Throughout the cluster we measure elevated high-ionization line ratios (e.g., He II/Hβ, [O III]/Hβ), coupled with an overall high-velocity width (FWHM gsim 500 km s-1), suggesting that shocks are likely important throughout the interstellar medium of the central galaxy. These shocks are most likely driven by a combination of stellar winds from massive young stars, core-collapse supernovae, and the central AGN. In addition to the warm, ionized gas, we detect a substantial amount of cold, molecular gas via the CO(3-2) transition, coincident in position with the galaxy center. We infer a molecular gas mass of M_{H_2} = 2.2 ± 0.6 × 1010 M ⊙, which implies that the starburst will consume its fuel in ~30 Myr if it is not

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.

X-ray detections of submillimetre galaxies: active galactic nuclei versus starburst contribution

NASA Astrophysics Data System (ADS)

Johnson, S. P.; Wilson, G. W.; Wang, Q. D.; Williams, C. C.; Scott, K. S.; Yun, M. S.; Pope, A.; Lowenthal, J.; Aretxaga, I.; Hughes, D.; Kim, M. J.; Kim, S.; Tamura, Y.; Kohno, K.; Ezawa, H.; Kawabe, R.; Oshima, T.

2013-05-01

We present a large-scale study of the X-ray properties and near-IR-to-radio spectral energy distributions (SEDs) of submillimetre galaxies (SMGs) detected at 1.1 mm with the AzTEC instrument across a ˜1.2 square degree area of the sky. Combining deep 2-4 Ms Chandra data with Spitzer IRAC/MIPS and Very Large Array data within the Great Observatories Origins Deep Survey North (GOODS-N), GOODS-S and COSMOS fields, we find evidence for active galactic nucleus (AGN) activity in ˜14 per cent of 271 AzTEC SMGs, ˜28 per cent considering only the two GOODS fields. Through X-ray spectral modelling and multiwavelength SED fitting using Monte Carlo Markov chain techniques to Siebenmorgen et al. (AGN) and Efstathiou, Rowan-Robinson & Siebenmorgen (starburst) templates, we find that while star formation dominates the IR emission, with star formation rates (SFRs) ˜100-1000 M⊙ yr-1, the X-ray emission for most sources is almost exclusively from obscured AGNs, with column densities in excess of 1023 cm-2. Only for ˜6 per cent of our sources do we find an X-ray-derived SFR consistent with NIR-to-radio SED derived SFRs. Inclusion of the X-ray luminosities as a prior to the NIR-to-radio SED effectively sets the AGN luminosity and SFR, preventing significant contribution from the AGN template. Our SED modelling further shows that the AGN and starburst templates typically lack the required 1.1 mm emission necessary to match observations, arguing for an extended, cool dust component. The cross-correlation function between the full samples of X-ray sources and SMGs in these fields does not indicate a strong correlation between the two populations at large scales, suggesting that SMGs and AGNs do not necessarily trace the same underlying large-scale structure. Combined with the remaining X-ray-dim SMGs, this suggests that sub-mm-bright sources may evolve along multiple tracks, with X-ray-detected SMGs representing transitionary objects between periods of high star formation and AGN

ALMA reveals starburst-like interstellar medium conditions in a compact star-forming galaxy at z 2 using [CI] and CO

NASA Astrophysics Data System (ADS)

Popping, Gergö; Decarli, Roberto; Man, Allison W. S.; Nelson, Erica J.; Béthermin, Matthieu; De Breuck, Carlos; Mainieri, Vincenzo; van Dokkum, Pieter G.; Gullberg, Bitten; van Kampen, Eelco; Spaans, Marco; Trager, Scott C.

2017-06-01

We present ALMA detections of the [CI] 1-0, CO J = 3-2, and CO J = 4-3 emission lines, as well as the ALMA band 4 continuum for a compact star-forming galaxy (cSFG) at z = 2.225, 3D-HST GS30274. As is typical for cSFGs, this galaxy has a stellar mass of 1.89 ± 0.47 × 1011M⊙, with a star formation rate (SFR) of 214 ± 44 M⊙ yr-1 putting it on the star-forming "main-sequence", but with an H-band effective radius of 2.5 kpc, making it much smaller than the bulk of "main-sequence" star-forming galaxies. The intensity ratio of the line detections yield an ISM density ( 6 × 104 cm-3) and a UV-radiation field ( 2 × 104G0), similar to the values in local starburst and ultra-luminous infrared galaxy environments. A starburst phase is consistent with the short depletion times (tH2,dep ≤ 140 Myr) we find in 3D-HST GS30274 using three different proxies for the H2 mass ([CI], CO, dust mass). This depletion time is significantly shorter than in more extended SFGs with similar stellar masses and SFRs. Moreover, the gas fraction of 3D-HST GS30274 is smaller than typically found in extended galaxies. We measure the CO and [CI] kinematics and find a FWHM line width of 750 ± 41 km s-1. The CO and [CI] FWHM are consistent with a previously measured Hα FWHM for this source. The line widths are consistent with gravitational motions, suggesting we are seeing a compact molecular gas reservoir. A previous merger event, as suggested by the asymmetric light profile, may be responsible for the compact distribution of gas and has triggered a central starburst event. This event gives rise to the starburst-like ISM properties and short depletion times in 3D-HST GS30274. The centrally located and efficient star formation is quickly building up a dense core of stars, responsible for the compact distribution of stellar light in 3D-HST GS30274.

MOLECULAR GAS DISK STRUCTURES AROUND ACTIVE GALACTIC NUCLEI

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wada, Keiichi; Papadopoulos, Padeli P.; Spaans, Marco

We present new high-resolution numerical simulations of the interstellar medium (ISM) in a central R {<=} 32 parsecs region around a supermassive black hole (1.3 x 10{sup 7} M{sub sun}) at a galactic center. Three-dimensional hydrodynamic modeling of the ISM (Wada and Norman 2002) with the nuclear starburst now includes tracking of the formation of molecular hydrogen (H{sub 2}) out of the neutral hydrogen phase as a function of the evolving ambient ISM conditions with a finer spatial resolution (0.125 pc). In a quasi-equilibrium state, mass fraction of H{sub 2} is about 0.4 (total H{sub 2} mass is {approx_equal}1.5 xmore » 10{sup 6} M{sub sun}) of the total gas mass for the uniform far ultra-violet (FUV) with G {sub 0} = 10 in Habing unit. As shown in the previous model, the gas forms an inhomogeneous disk, whose scale height becomes larger in the outer region. H{sub 2} forms a thin nuclear disk in the inner {approx_equal}5 pc, which is surrounded by molecular clouds swelled up toward h {approx}< 10 pc. The velocity field of the disk is highly turbulent in the torus region, whose velocity dispersion is {approx_equal}20 km s{sup -1} on average. Average supernova (SN) rate of {approx_equal}5 x 10{sup -5} yr{sup -1} is large enough to energize these structures. Gas column densities toward the nucleus larger than 10{sup 22} cm{sup -2} are observed if the viewing angle is smaller than {theta} {sub v} {approx_equal} 50 deg. from the edge-on. However, the column densities are distributed over almost two orders of magnitude around the average for any given viewing angle due to the clumpy nature of the torus. For a stronger FUV (G {sub 0} = 100), the total H{sub 2} mass in an equilibrium is only slightly smaller ({approx_equal}0.35), a testimony to the strong self-shielding nature of H{sub 2}, and the molecular gas is somewhat more concentrated in a midplane. Other properties of the ISM are not very sensitive either to the FUV intensity or the SN rate. Finally, the

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.

Infrared fine-structure line diagnostics of shrouded active galactic nuclei

NASA Technical Reports Server (NTRS)

Voit, G. M.

1993-01-01

Far-infrared spectroscopy of celestial objects will improve dramatically in the coming decade, allowing astronomers to use fine-structure line emission to probe photoionized regions obscured in the optical band by thick clouds of dust. 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. This paper shows 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 AGN's 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.

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.

New places and phases of CO-poor/CI-rich molecular gas in the Universe

NASA Astrophysics Data System (ADS)

Papadopoulos, Padelis P.; Bisbas, Thomas G.; Zhang, Zhiyu

2018-04-01

In this work we extend the work on the recently discovered role of Cosmic Rays (CRs) in regulating the average CO/H_2 abundance ratio in molecular clouds (and thus their CO line visibility) in starburst galaxies, and find that it can lead to a CO-poor/CI-rich H_2 gas phase even in environments with Galactic or in only modestly enhanced CR backgrounds expected in ordinary star-forming galaxies. Furthermore, the same CR-driven astro-chemistry raises the possibility of a widespread phase transition of molecular gas towards a CO-poor/CI-rich phase in: a) molecular gas outflows found in star-forming galaxies, b) active galactic nuclei (AGNs), and c) near synchrotron-emitting radio jets and the radio-loud cores of powerful radio galaxies. For main sequence galaxies we find that CRs can render some of their molecular gas mass CO-invisible, compounding the effects of low metallicities. Imaging the two fine structure lines of atomic carbon with resolution high enough to search beyond the CI/CO-bright line regions associated with central starbursts can reveal such a CO-poor/CI-rich molecular gas phase, provided that relative brightness sensitivity levels of Tb(CI 1 - 0)/Tb(CO J = 1 - 0) ˜0.15 are reached. The capability to search for such gas in the Galaxy is now at hand with the new high-frequency survey telescope HEAT deployed in Antarctica and future ones to be deployed in Dome A. ALMA can search for such gas in star-forming spiral disks, galactic molecular gas outflows and the CR-intense galactic and circumgalactic gas-rich environments of radio-loud objects.

The Discovery of a New Massive Molecular Gas Component Associated with the Submillimeter Galaxy SMM J02399-0136

NASA Astrophysics Data System (ADS)

Frayer, David T.; Maddalena, Ronald J.; Ivison, R. J.; Smail, Ian; Blain, Andrew W.; Vanden Bout, Paul

2018-06-01

We present CO(1–0), CO(3–2), and CO(7–6) observations using the Green Bank Telescope (GBT) and the Atacama Large Millimeter Array (ALMA) of the z = 2.8 submillimeter galaxy SMM J02399‑0136. This was the first submillimeter-selected galaxy discovered and remains an archetype of the class, comprising a merger of several massive and active components, including a quasar-luminosity AGN and a highly obscured, gas-rich starburst spread over a ∼25 kpc extent. The GBT CO(1–0) line profile is comprised of two distinct velocity components separated by about 600 km s‑1 and suggests the presence of a new component of molecular gas that had not been previously identified. The CO(3–2) observations with ALMA show that this new component, designated W1, is associated with a large extended structure stretching 13 kpc westward from the AGN. W1 is not detected in the ALMA CO(7–6) data, implying that this gas has much lower CO excitation than the central starburst regions, which are bright in CO(7–6). The molecular gas mass of W1 is about 30% of the total molecular gas mass in the system, depending on the CO-to-H2 conversion factor. W1 is arguably a merger remnant; alternatively, it could be a massive molecular outflow associated with the AGN, or perhaps inflowing metal-enriched molecular gas fueling the ongoing activity.

Star-forming Galaxies as AGN Imposters? A Theoretical Investigation of the Mid-infrared Colors of AGNs and Extreme Starbursts

NASA Astrophysics Data System (ADS)

Satyapal, Shobita; Abel, Nicholas P.; Secrest, Nathan J.

2018-05-01

We conduct for the first time a theoretical investigation of the mid-infrared spectral energy distribution (SED) produced by dust heated by an active galactic nucleus (AGN) and an extreme starburst. These models employ an integrated modeling approach using photoionization and stellar population synthesis models in which both the line and emergent continuum is predicted from gas exposed to the ionizing radiation from a young starburst and an AGN. In this work, we focus on the infrared colors from the Wide-field Infrared Survey Explorer, predicting the dependence of the colors on the input radiation field, the interstellar medium conditions, the obscuring column, and the metallicity. We find that an extreme starburst can mimic an AGN in two band mid-infrared color cuts employed in the literature. However, the three-band color cuts employed in the literature require starbursts with extremely high ionization parameters or gas densities. We show that the extreme mid-infrared colors seen in some blue compact dwarf galaxies are not due to metallicity but rather a combination of high ionization parameters and high column densities. Based on our theoretical calculations, we present a theoretical mid-infrared color cut that will exclude even the most extreme starburst that we have modeled in this work. The theoretical AGN demarcation region presented here can be used to identify elusive AGN candidates for future follow-up studies with the James Webb Space Telescope. The full suite of simulated SEDs are available online.

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.

The Panchromatic STARBurst IRregular Dwarf Survey (STARBIRDS): Observations and Data Archive

NASA Astrophysics Data System (ADS)

McQuinn, Kristen B. W.; Mitchell, Noah P.; Skillman, Evan D.

2015-06-01

Understanding star formation in resolved low mass systems requires the integration of information obtained from observations at different wavelengths. We have combined new and archival multi-wavelength observations on a set of 20 nearby starburst and post-starburst dwarf galaxies to create a data archive of calibrated, homogeneously reduced images. Named the panchromatic “STARBurst IRregular Dwarf Survey” archive, the data are publicly accessible through the Mikulski Archive for Space Telescopes. This first release of the archive includes images from the Galaxy Evolution Explorer Telescope (GALEX), the Hubble Space Telescope (HST), and the Spitzer Space Telescope (Spitzer) Multiband Imaging Photometer instrument. The data sets include flux calibrated, background subtracted images, that are registered to the same world coordinate system. Additionally, a set of images are available that are all cropped to match the HST field of view. The GALEX and Spitzer images are available with foreground and background contamination masked. Larger GALEX images extending to 4 times the optical extent of the galaxies are also available. Finally, HST images convolved with a 5″ point spread function and rebinned to the larger pixel scale of the GALEX and Spitzer 24 μm images are provided. Future additions are planned that will include data at other wavelengths such as Spitzer IRAC, ground-based Hα, Chandra X-ray, and Green Bank Telescope H i imaging. Based on observations made with the NASA/ESA Hubble Space Telescope, and obtained from the Hubble Legacy Archive, which is a collaboration between the Space Telescope Science Institute (STScI/NASA), the Space Telescope European Coordinating Facility (ST-ECF/ESA), and the Canadian Astronomy Data Centre (CADC/NRC/CSA).

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 modelmore » 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.« less

Angular correlation between IceCube high-energy starting events and starburst sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moharana, Reetanjali; Razzaque, Soebur, E-mail: moharana.reetanjali@mail.huji.ac.il, E-mail: srazzaque@uj.ac.za

Starburst galaxies and star-forming regions in the Milkyway, with high rate of supernova activities, are candidate sources of high-energy neutrinos. Using a gamma-ray selected sample of these sources we perform statistical analysis of their angular correlation with the four-year sample of high-energy starting events (HESE), detected by the IceCube Neutrino Observatory. We find that the two samples (starburst galaxies and local star-forming regions) are correlated with cosmic neutrinos at ∼ (2–3)σ (pre-trial) significance level, when the full HESE sample with deposited energy ∼> 20 TeV is considered. However when we consider the HESE sample with deposited energy ∼> 60 TeV,more » which is almost free of atmospheric neutrino and muon backgrounds, the significance of correlation decreased drastically. We perform a similar study for Galactic sources in the 2nd Catalog of Hard Fermi -LAT Sources (2FHL, >50 GeV) catalog as well, obtaining ∼ (2–3)σ (pre-trial) correlation, however the significance of correlation increases with higher cutoff energy in the HESE sample for this case. We also fit available gamma-ray data from these sources using a pp interaction model and calculate expected neutrino fluxes. We find that the expected neutrino fluxes for most of the sources are at least an order of magnitude lower than the fluxes required to produce the HESE neutrinos from these sources. This puts the starburst sources being the origin of the IceCube HESE neutrinos in question.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oteo, I.; Ivison, R. J.; Dunne, L.

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 {sub IR} ∼ 2.5 × 10{sup 13} L {sub ⊙} and a star formation rate of ∼ 4500 M {sub ⊙} yr{sup −1}. SGP 38326 also contains a molecular gas reservoir among the most massive yet found in themore » 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.« less

Spatial distribution of GRBs and large scale structure of the Universe

NASA Astrophysics Data System (ADS)

Bagoly, Zsolt; Rácz, István I.; Balázs, Lajos G.; Tóth, L. Viktor; Horváth, István

We studied the space distribution of the starburst galaxies from Millennium XXL database at z = 0.82. We examined the starburst distribution in the classical Millennium I (De Lucia et al. (2006)) using a semi-analytical model for the genesis of the galaxies. We simulated a starburst galaxies sample with Markov Chain Monte Carlo method. The connection between the large scale structures homogenous and starburst groups distribution (Kofman and Shandarin 1998), Suhhonenko et al. (2011), Liivamägi et al. (2012), Park et al. (2012), Horvath et al. (2014), Horvath et al. (2015)) on a defined scale were checked too.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao Yinghe; Lu, Nanyao; Xu, C. Kevin

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 μ m 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 COmore » (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{sup −1} (71 ± 7 mJy), which accounts for 22% (2.4%) of the total value measured by Herschel .« less

Starburst in the Interacting HII Galaxy II Zw 40 and in Non-Interacting HII Galaxies

NASA Astrophysics Data System (ADS)

Telles, E.

2010-06-01

In this poster, I summarize the results of our integral field spectroscopic observations of the nearby prototype of HII galaxies, II Zw 40. Observations with GMOS-IFU on GEMINI-North in the optical allowed us to make a detailed kinematic picture of the central starburst, while SINFONI with adaptive optics on the ESO-VLT gave us a near-IR view of the interplay between the ISM phases. Here, I also address the question that not all starbursts require an external trigger such as a galaxy-galaxy encounter, as it seems to be the case for a fraction of low luminosity HII galaxies. We speculate that these may form stars spontaneously like "popcorn in a pan".

Filaments, ridges and a mini-starburst - HOBYS' view of high mass star formation with Herschel

NASA Astrophysics Data System (ADS)

Hill, T.; Motte, F.; Didelon, P.

2012-03-01

With its unprecedented spatial resolution and high sensitivity, Herschel is revolutionising our understanding of high mass star formation and the interstellar medium (ISM). In particular, Herschel is unveiling the filamentary structure and molecular cloud constituents of the ISM where star formation takes place. The Herschel Imaging Survey of OB Young Stellar objects (HOBYS; Motte, Zavagno, Bontemps, see http://www.herschel.fr/cea/hobys/en/index.php) key program targets burgeoning young stellar objects with the aim of characterising them and the environments in which they form. HOBYS has already proven fruitful with many clear examples of high-mass star formation in nearby molecular cloud complexes (e.g. Motte et al., 2010). Through multi-wavelength Herschel observations I will introduce select regions of the HOBYS program, including Vela C, M16 and W48 to start. These data are rich with filamentary structures and a wealth of sources which span a large mass range including, low, intermediate and high-mass objects in the pre-collapse or protostellar phase of formation, many of which will proceed to form stars. The natal filaments themselves come in many shapes and sizes, they can form thick ridge-like structures, be dispersed in low column density regions or cluster in higher density regions. In Vela C, high-mass star formation proceeds preferentially in high column density supercritical filaments, called ridges, which may result from the constructive convergence of flows (Hill et al., 2011). I will present other examples of ridges identified in HOBYS regions. In addition, I will present the latest results on the Eagle Nebula (M16). This region was made iconic by Hubble, but only Herschel can trace the cold, dense early prestellar phases of star formation, and their natal interstellar filaments, in this infamous star-forming complex. The cavity ionised by the nearby OB cluster in M16 serves to heat the Pillars of Creation and the surrounding interstellar filaments

Obscured and powerful AGN and starburst activities at z ~ 3.5

NASA Astrophysics Data System (ADS)

Polletta, M.; Omont, A.; Berta, S.; Bergeron, J.; Stalin, C. S.; Petitjean, P.; Giorgetti, M.; Trinchieri, G.; Srianand, R.; McCracken, H. J.; Pei, Y.; Dannerbauer, H.

2008-12-01

Aims: Short phases of coeval powerful starburst and AGN activity during the lifetimes of the most massive galaxies are predicted by various models of galaxy formation and evolution. In spite of their recurrence and high luminosity, such events are rarely observed. Finding such systems, understanding their nature, and constraining their number density can provide key constraints to galaxy evolutionary models and insights into the interplay between starburst and AGN activities. Methods: We report the discovery of two sources at z=3.867 and z=3.427 that exhibit both powerful starburst and AGN activities. They benefit from multi-wavelength data from radio to X rays from the CFHTLS-D1/SWIRE/XMDS surveys. Follow-up optical and near-infrared spectroscopy, and millimeter IRAM/MAMBO observations are also available. We performed a multi-wavelength analysis of their spectral energy distributions with the aim of understanding the origin of their emission and constraining their luminosities. A comparison with other composite systems at similar redshifts from the literature is also presented. Results: The AGN and starburst bolometric luminosities are 1013 L⊙. The AGN emission dominates at X ray, optical, mid-infrared wavelengths, and probably also in the radio. The starburst emission dominates in the far-infrared. The estimated star formation rates range from 500 to 3000 M⊙/yr. The AGN near-infrared and X ray emissions are heavily obscured in both sources with an estimated dust extinction {A_V} ≥ 4, and Compton-thick gas column densities. The two sources are the most obscured and most luminous AGNs detected at millimeter wavelengths currently known. Conclusions: The sources presented in this work are heavily obscured QSOs, but their properties are not fully explained by the standard AGN unification model. In one source, the ultraviolet and optical spectra suggest the presence of outflowing gas and shocks, and both sources show emission from hot dust, most likely in the

ROSAT observations of NGC 2146: Evidence for a starburst-driven superwind

NASA Technical Reports Server (NTRS)

Armus, L.; Heckman, T. M.; Weaver, K. A.; Lehnert, M. D.

1995-01-01

We have imaged the edge-on starburst galaxy NGC 2146 with the Position Sensitive Proportional Counter (PSPC) and the High Resolution Imager (HRI) on board ROSAT and have compared these data to optical images and long-slit spectra. NGC 2146 possesses a very large X-ray nebula with a half-light radius of 1 min (4 kpc) and a maximum diameter of approximately 4 min, or 17 kpc. The X-ray emission is resolved by the PSPC and preferentially oriented along the minor axis, with a total flux of 1.1 x 10(exp -12) ergs/sq cm/s over 0.2 - 2.4 keV and a luminosity of approximately 3 x 10(exp 40) ergs/s. The inner X-ray nebula is resolved by the HRI into at least four bright knots together with strong diffuse emission responsible for at least 50% of the flux within a radius of 0.5 min (approximately 2 kpc). The brightest knot has a luminosity of (2 - 3) x 10(exp 39) ergs/s. The X-ray nebula has a spatial extent much larger than the starburst ridge seen at centimeter wavelengths by Kronberg & Biermann (1981) and is oriented in a `X-like' pattern along the galaxy minor axis at a position angle of approximately 30 degrees. This minor-axis X-ray emission is associated with a region of H alpha and dust filaments seen in optical images. Optical spectra show that the emission-line gas along the minor axis is characterized by relatively broad lines (approximately 250 km/s full width half-maximum (FWHM)) and by `shocklike' emission-line flux ratios. Together with the blue-asymmetric nuclear emission-line and NaD interstellar absorption-line profiles, these optical data strongly suggest the presence of a starburst-driven superwind. The X-ray spectrum extracted from the central 5 min contains a strong Fe L emission-line complex at 0.6 - 1.0 keV and a hard excess above 1.0 keV. The spectrum is best described with a two-component model, containing a soft (kT approximately 400 - 500 eV) Raymond-Smith thermal plasma together with either a Gamma = 1.7 power-law or a kT greater than 2.2 ke

The Dense Molecular Gas and Nuclear Activity in the ULIRG IRAS 13120-5453

NASA Astrophysics Data System (ADS)

Privon, G. C.; Aalto, S.; Falstad, N.; Muller, S.; González-Alfonso, E.; Sliwa, K.; Treister, E.; Costagliola, F.; Armus, L.; Evans, A. S.; Garcia-Burillo, S.; Izumi, T.; Sakamoto, K.; van der Werf, P.; Chu, J. K.

2017-02-01

We present new Atacama Large Millimeter/submillimeter Array Band 7 (˜340 GHz) observations of the dense gas tracers HCN, HCO+, and CS in the local, single-nucleus, ultraluminous infrared galaxy IRAS 13120-5453. We find centrally enhanced HCN (4-3) emission, relative to HCO+ (4-3), but do not find evidence for radiative pumping of HCN. Considering the size of the starburst (0.5 kpc) and the estimated supernovae rate of ˜1.2 yr-1, the high HCN/HCO+ ratio can be explained by an enhanced HCN abundance as a result of mechanical heating by the supernovae, though the active galactic nucleus and winds may also contribute additional mechanical heating. The starburst size implies a high ΣIR of 4.7 × 1012 L ⊙ kpc-2, slightly below predictions of radiation-pressure limited starbursts. The HCN line profile has low-level wings, which we tentatively interpret as evidence for outflowing dense molecular gas. However, the dense molecular outflow seen in the HCN line wings is unlikely to escape the Galaxy and is destined to return to the nucleus and fuel future star formation. We also present modeling of Herschel observations of the H2O lines and find a nuclear dust temperature of ˜40 K. IRAS 13120-5453 has a lower dust temperature and ΣIR than is inferred for the systems termed “compact obscured nuclei (CONs)” (such as Arp 220 and Mrk 231). If IRAS 13120-5453 has undergone a CON phase, we are likely witnessing it at a time when the feedback has already inflated the nuclear ISM and diluted star formation in the starburst/active galactic nucleus core.

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

The heating of dust in starburst galaxies: The contribution of the nonionizing radiation

NASA Technical Reports Server (NTRS)

Calzetti, D.; Bohlin, R. C.; Kinney, Anne L.; Storchi-Bergmann, T.; Heckman, Timothy M.

1995-01-01

The IUE UV and optical spectra and the far-infrared (FIR) IRAS flux densities of a sample of starburst and blue compact galaxies are used to investigate the relationship between dust obscuration and dust emission. The amount of dust obscuration at UV wavelengths correlates with the FIR-to-blue ratio; and an analysis of the correlation indicates that not only the ionizing but also the nonionizing radiation contribute to the FIR emission. The amount of UV and optical energy lost to dust obscuration accounts for most of the cool dust FIUR emission and for about 70% of the warm dust FIR emission. The remaining 30% of the warm dust FIR flux is probably due to dust emission from regions of star formation which are embedded in opaque giant molecular clouds and do not contribute to the integrated UV and optical spectrum. The use of the FIR emission as an indicator of high-mass star formation rate in star-forming galaxies can be problematic, since the contribution to the FIR flux from cool dust emission heated by relatively old stars is nonnegligible.

The evolution of and starburst-agn connection in luminous and ultraluminous infrared galaxies and their link to globular cluster formation

NASA Astrophysics Data System (ADS)

Fiorenza, Stephanie Lynn

The evolutionary connection between nuclear starbursts and active galactic nuclei (AGN) in luminous infrared galaxies (LIRGs; 1011 < LIR < 1012 L[special character omitted]) and ultraluminous infrared galaxies (ULIRGs; 1012 < LIR < 1013 L[special character omitted]), which result from galaxy interactions and mergers and produce the bulk of their radiation as infrared (IR) emission, is not well understood. To this effort, I first spectroscopically examine U/LIRGs (1011 < LIR < 1013 L[special character omitted]) within the IRAS 2 Jansky Redshift Survey with 0.05 < z < 0.16. Using new spectrophotometric data, I classify the primary source of IR radiation as being a nuclear starburst or a type of AGN by using the Baldwin-Phillips-Terlevich (BPT) diagrams. I show that for the U/LIRGs in my sample the properties that describe their nuclear starbursts and AGN (e.g. star formation rate (SFR), L[O III], optical D parameter, D4000, and EW(Hdelta)) are independent of one another, ensuring that no biases affect correlations between these properties and objects' locations on the BPT diagrams. I then derive evolutionary paths on the BPT diagram involving [N II]/Halpha that are based on how these properties vary between two U/LIRGs positioned at the end-points. The paths involve U/LIRGs that decrease in SFR and increase in AGN activity. Paths with U/LIRGs that evolve into high luminosity AGN likely do so due to recent, strong starbursts. Second, to study how the properties of the IR power sources in U/LIRGs vary, I use a combination of photometric data points that I carefully measure (using photometry from SDSS, 2MASS, WISE, and Spitzer) and that I retrieve from catalogues (IRAS, AKARI, and ISO) to perform UV to FIR SED-fitting with CIGALE (Code Investigating GALaxy Emission) for 34 U/LIRGs from the IRAS 2 Jy Redshift Survey with 0.01 < z < 0.16. I find evidence that the nuclear starburst forms first in U/LIRGs, and also find that U/LIRGs with relatively similar SFRs show

Neon and [CII] 158 μm Emission Line Profiles in Dusty Starbursts and Active Galactic Nuclei

NASA Astrophysics Data System (ADS)

Samsonyan, A.; Weedman, D.; Lebouteiller, V.; Barry, D.; Sargsyan, L.

2017-07-01

Identifying and understanding the initial formation of massive galaxies and quasars in the early universe is a fundamental goal of observational cosmology. A rapidly developing capability for tracing luminosity sources to high redshifts is the observation of the [CII] 158 μm emission line at redshifts z > 4 using ground based submillimeter interferometers, with detections now having been made to z = 7. This has long been known as the strongest far-infrared line in most sources, often carrying about 1% of the total source luminosity, and is thought to be associated with star formation because it should arise within the photodissociation region (PDR) surrounding starbursts. The sample of 382 extragalactic sources has been analysed that have mid-infrared,high resolution spectroscopy with the Spitzer Infrared Spectrograph (IRS) and also spectroscopy of the [CII] 158 μm line with the Herschel Photodetector Array Camera and Spectrometer (PACS). The emission line profiles of [NeII] 12.81μm , [NeIII] 15.55 μm , and [CII] 158 μm are studied, and intrinsic line widths are determined. All line profiles together with overlays comparing positions of PACS and IRS observations are made available in the Cornell Atlas of Spitzer IRS Sources (CASSIS). Sources are classified from AGN to starburst based on equivalent widths of the 6.2 μm polycyclic aromatic hydrocarbon feature. It is found that intrinsic line widths do not change among classification for [CII], with median widths of 207 km s-1 for AGN, 248 km s-1 for composites, and 233 km s-1 for starbursts. The [NeII] line widths also do not change with classification, but [NeIII] lines are progressively broader from starburst to AGN. A small number of objects with unusually broad lines or unusual redshift differences in any feature are identified.

Molecular structure of quinoa starch.

PubMed

Li, Guantian; Zhu, Fan

2017-02-20

Quinoa starch has very small granules with unique properties. However, the molecular structure of quinoa starch remains largely unknown. In this study, composition and amylopectin molecular structure of 9 quinoa starch samples were characterised by chromatographic techniques. In particular, the amylopectin internal molecular structure, represented by φ, β-limit dextrins (LDs), was explored. Great variations in the composition and molecular structures were recorded among samples. Compared with other amylopectins, quinoa amylopectin showed a high ratio of short chain to long chains (mean:14.6) and a high percentage of fingerprint A-chains (A fp ) (mean:10.4%). The average chain length, external chain length, and internal chain length of quinoa amylopectin were 16.6, 10.6, and 5.00 glucosyl residues, respectively. Pearson correlation and principal component analysis revealed some inherent correlations among structural parameters and a similarity of different samples. Overall, quinoa amylopectins are structurally similar to that from starches with A-type polymorph such as oat and amaranth starches. Copyright © 2016 Elsevier Ltd. All rights reserved.

Formation of retinal direction-selective circuitry initiated by starburst amacrine cell homotypic contact

PubMed Central

Ray, Thomas A; Roy, Suva; Kozlowski, Christopher; Wang, Jingjing; Cafaro, Jon; Hulbert, Samuel W; Wright, Christopher V; Field, Greg D

2018-01-01

A common strategy by which developing neurons locate their synaptic partners is through projections to circuit-specific neuropil sublayers. Once established, sublayers serve as a substrate for selective synapse formation, but how sublayers arise during neurodevelopment remains unknown. Here, we identify the earliest events that initiate formation of the direction-selective circuit in the inner plexiform layer of mouse retina. We demonstrate that radially migrating newborn starburst amacrine cells establish homotypic contacts on arrival at the inner retina. These contacts, mediated by the cell-surface protein MEGF10, trigger neuropil innervation resulting in generation of two sublayers comprising starburst-cell dendrites. This dendritic scaffold then recruits projections from circuit partners. Abolishing MEGF10-mediated contacts profoundly delays and ultimately disrupts sublayer formation, leading to broader direction tuning and weaker direction-selectivity in retinal ganglion cells. Our findings reveal a mechanism by which differentiating neurons transition from migratory to mature morphology, and highlight this mechanism’s importance in forming circuit-specific sublayers. PMID:29611808

Spatially resolved medium resolution spectroscopy of an interacting E+A (post-starburst) system with the Subaru Telescope

NASA Astrophysics Data System (ADS)

Goto, Tomotsugu; Yagi, Masafumi; Yamauchi, Chisato

2008-12-01

We have performed spatially resolved medium resolution long-slit spectroscopy of a nearby E+A (post-starburst) galaxy system, SDSSJ161330.18+510335.5, with the FOCAS spectrograph mounted on the Subaru Telescope. This E+A galaxy has an obvious companion galaxy 14kpc in front with the velocity difference of 61.8kms-1. Both galaxies have obviously disturbed morphology. Thus, this E+A system provides us with a perfect opportunity to investigate the relation between the post-starburst phenomena and galaxy-galaxy interaction. We have found that the Hδ equivalent width (EW) of the E+A galaxy is greater than 7Å galaxy wide (8.5kpc) with no significant spatial variation. The E+A galaxy has a weak [OIII] emission (EW ~ 1Å) offset by ~2.6kpc from the peak of the Balmer absorption lines. We detected a rotational velocity in the companion galaxy of >175kms-1. The progenitor of the companion may have been a rotationally supported, but yet passive S0 galaxy. We did not detect significant rotation on the E+A galaxy. A metallicity estimate based on the r - H colour suggests Z = 0.008 and 0.02, for the E+A and the companion galaxies, respectively. Assuming these metallicity estimates, the age of the E+A galaxy after quenching the star formation is estimated to be 100-500Myr, with its centre having a slightly younger stellar population. The companion galaxy is estimated to have an older stellar population of >2Gyr of age with no significant spatial variation. These findings are inconsistent with a simple picture where the dynamical interaction creates infall of the gas reservoir that causes the central starburst/post-starburst. Instead, our results present an important example where the galaxy-galaxy interaction can trigger a galaxy-wide post-starburst phenomenon. Based on data collected at the Subaru Telescope, which is operated by the National Astronomical Observatory of Japan. E-mail: tomo@ifa.hawaii.edu ‡ Japan Society for the Promotion of Science (JSPS) SPD Fellow. �

Feedback and Feeding in the Context of Galaxy Evolution with SPICA: Direct Characterisation of Molecular Outflows and Inflows

NASA Astrophysics Data System (ADS)

González-Alfonso, E.; Armus, L.; Carrera, F. J.; Charmandaris, V.; Efstathiou, A.; Egami, E.; Fernández-Ontiveros, J. A.; Fischer, J.; Granato, G. L.; Gruppioni, C.; Hatziminaoglou, E.; Imanishi, M.; Isobe, N.; Kaneda, H.; Koziel-Wierzbowska, D.; Malkan, M. A.; Martín-Pintado, J.; Mateos, S.; Matsuhara, H.; Miniutti, G.; Nakagawa, T.; Pozzi, F.; Rico-Villas, F.; Rodighiero, G.; Roelfsema, P.; Spinoglio, L.; Spoon, H. W. W.; Sturm, E.; van der Tak, F.; Vignali, C.; Wang, L.

2017-11-01

A far-infrared observatory such as the SPace Infrared telescope for Cosmology and Astrophysics, with its unprecedented spectroscopic sensitivity, would unveil the role of feedback in galaxy evolution during the last 10 Gyr of the Universe (z = 1.5-2), through the use of far- and mid-infrared molecular and ionic fine structure lines that trace outflowing and infalling gas. Outflowing gas is identified in the far-infrared through P-Cygni line shapes and absorption blueshifted wings in molecular lines with high dipolar moments, and through emission line wings of fine-structure lines of ionised gas. We quantify the detectability of galaxy-scale massive molecular and ionised outflows as a function of redshift in AGN-dominated, starburst-dominated, and main-sequence galaxies, explore the detectability of metal-rich inflows in the local Universe, and describe the most significant synergies with other current and future observatories that will measure feedback in galaxies via complementary tracers at other wavelengths.

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.

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.

A molecular line survey toward the nearby galaxies NGC 1068, NGC 253, and IC 342 at 3 mm with the Nobeyama 45 m radio telescope: Impact of an AGN on 1 kpc scale molecular abundances

NASA Astrophysics Data System (ADS)

Nakajima, Taku; Takano, Shuro; Kohno, Kotaro; Harada, Nanase; Herbst, Eric

2018-01-01

It is important to investigate the relationships between the power sources and the chemical compositions of galaxies in order to understand the scenario of galaxy evolution. We carried out an unbiased molecular line survey towards active galactic nucleus (AGN) host galaxy NGC1068, and prototypical starburst galaxies, NGC 253 and IC 342, with the Nobeyama 45 m telescope in the 3 mm band. The advantage of this line survey is that the obtained spectra have the highest angular resolution ever obtained with single-dish telescopes. In particular, the beam size of this telescope is ˜15″-19″, which is able to separate spatially the nuclear molecular emission from that of the starburst ring (d ˜ 30″) in NGC 1068. We successfully detected approximately 23 molecular species in each galaxy, and calculated rotation temperatures and column densities. We estimate the molecular fractional abundances with respect to 13CO and CS molecules and compare them among three galaxies in order to investigate the chemical signatures of an AGN environment. As a result, we found clear trends in the abundances of molecules surrounding the AGN on a 1-kpc scale. HCN, H13CN, CN, 13CN, and HC3N are more abundant, and CH3CCH is deficient in NGC 1068 compared with the starburst galaxies. High abundances of HCN, H13CN, and HC3N suggest that the circumnuclear disk in NGC 1068 is in a high-temperature environment. The reason for the non-detection of CH3CCH is likely to be dissociation by high-energy radiation or less sublimation of a precursor of CH3CCH from grains.

ALMA Reveals Weak [N II] Emission in "Typical" Galaxies and Intense Starbursts at z = 5-6

NASA Astrophysics Data System (ADS)

Pavesi, Riccardo; Riechers, Dominik A.; Capak, Peter L.; Carilli, Christopher L.; Sharon, Chelsea E.; Stacey, Gordon J.; Karim, Alexander; Scoville, Nicholas Z.; Smolčić, Vernesa

2016-12-01

We report interferometric measurements of [N II] 205 μm fine-structure line emission from a representative sample of three galaxies at z = 5-6 using the Atacama Large (sub)Millimeter Array (ALMA). These galaxies were previously detected in [C II] and far-infrared continuum emission and span almost two orders of magnitude in star formation rate (SFR). Our results show at least two different regimes of ionized interstellar medium properties for galaxies in the first billion years of cosmic time, separated by their {L}[{{C}{{II}}]}/{L}[{{N}{{II}}]} ratio. We find extremely low [N II] emission compared to [C II] ({L}[{{C}{{II}}]}/{L}[{{N}{{II}}]}={68}-28+200) from a “typical” ˜ {L}{UV}* star-forming galaxy, likely directly or indirectly (by its effect on the radiation field) related to low dust abundance and low metallicity. The infrared-luminous modestly star-forming Lyman-break galaxy (LBG) in our sample is characterized by an ionized-gas fraction ({L}[{{C}{{II}}]}/{L}[{{N}{{II}}]}≲ 20) typical of local star-forming galaxies and shows evidence for spatial variations in its ionized-gas fraction across an extended gas reservoir. The extreme SFR, warm and compact dusty starburst AzTEC-3 shows an ionized fraction higher than expected given its SFR surface density ({L}[{{C}{{II}}]}/{L}[{{N}{{II}}]}=22+/- 8) suggesting that [N II] dominantly traces a diffuse ionized medium rather than star-forming H II regions in this type of galaxy. This highest redshift sample of [N II] detections provides some of the first constraints on ionized and neutral gas modeling attempts and on the structure of the interstellar medium at z = 5-6 in “normal” galaxies and starbursts.

Panchromatic observations of dwarf starburst galaxies: Infant super star clusters and a low-luminosity AGN

NASA Astrophysics Data System (ADS)

Reines, Amy Ellen

2011-01-01

Globular star clusters and supermassive black holes are fundamental components of today's massive galaxies, with origins dating back to the very early universe. Both globular clusters and the seeds of supermassive black holes are believed to have formed in the progenitors of modern massive galaxies, although the details are poorly understood. Direct observations of these low-mass, distant, and hence faint systems are unobtainable with current capabilities. However, gas-rich dwarf starburst galaxies in the local universe, analogous in many ways to protogalaxies at high-redshift, can provide critical insight into the early stages of galaxy evolution including the formation of globular clusters and massive black holes. This thesis presents a panchromatic study of nearby dwarf starburst galaxies harboring nascent globular clusters still embedded in their birth material. Infant clusters are identified via their production of thermal radio emission at centimeter wavelengths, which comes from dense gas ionized by young massive stars. By combining radio observations with complementary data at ultraviolet, optical and infrared wavelengths, we obtain a comprehensive view of massive clusters emerging from their gaseous and dusty birth cocoons. This thesis also presents the first example of a nearby dwarf starburst galaxy hosting an actively accreting massive central black hole. The black hole in this dwarf galaxy is unusual in that it is not associated with a bulge, a nuclear star cluster, or any other well-defined nucleus, likely reflecting an early phase of black hole and galaxy evolution that has not been previously observed.

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.;

First Detection of the [O(sub III)] 88 Micrometers Line at High Redshifts: Characterizing the Starburst and Narrow-Line Regions in Extreme Luminosity Systems

NASA Technical Reports Server (NTRS)

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

2010-01-01

We have made the first detections of the 88 micrometers [O(sub III)] line from galaxies in the early universe, detecting the line from the lensed active galactic nucleus (AGN)/starburst composite systems APM 08279+5255 at z 3.911 and SMM J02399-0136 at z = 2.8076. The line is exceptionally bright from both systems, with apparent (lensed) luminosities approx.10(exp 11) Solar Luminosity, For APM 08279, the [O(sub III)] line flux can be modeled in a star formation paradigm, with the stellar radiation field dominated by stars with effective temperatures, T(sub eff) > 36,000 K, similar to the starburst found in M82. The model implies approx.35% of the total far-IR luminosity of the system is generated by the starburst, with the remainder arising from dust heated by the AGN. The 881,tm line can also be generated in the narrow-line region of the AGN if gas densities are around a few 1000 cu cm. For SMM J02399, the [O(sub III)] line likely arises from HII regions formed by hot (T(sub eff) > 40,000 K) young stars in a massive starburst that dominates the far-IR luminosity of the system. The present work demonstrates the utility of the [O(sub III)] line for characterizing starbursts and AGN within galaxies in the early universe. These are the first detections of this astrophysically important line from galaxies beyond a redshift of 0.05.s

Variations in the 6.2 μm emission profile in starburst-dominated galaxies: a signature of polycyclic aromatic nitrogen heterocycles (PANHs)?

NASA Astrophysics Data System (ADS)

Canelo, Carla M.; Friaça, Amâncio C. S.; Sales, Dinalva A.; Pastoriza, Miriani G.; Ruschel-Dutra, Daniel

2018-04-01

Analyses of the polycyclic aromatic hydrocarbon (PAH) feature profiles, especially the 6.2 μm feature, could indicate the presence of nitrogen incorporated in their aromatic rings. In this work, 155 predominantly starburst-dominated galaxies (including H II regions and Seyferts, for example), extracted from the Spitzer/Infrared Spectrograph ATLAS project, have their 6.2 μm profiles fitted allowing their separation into the Peeters' A, B, and C classes. 67 per cent of these galaxies were classified as class A, 31 per cent were as class B, and 2 per cent as class C. Currently, class A sources, corresponding to a central wavelength near 6.22 μm, seem only to be explained by polycyclic aromatic nitrogen heterocycles (PANHs), whereas class B may represent a mix between PAHs and PANHs emissions or different PANH structures or ionization states. Therefore, these spectra suggest a significant presence of PANHs in the interstellar medium (ISM) of these galaxies that could be related to their starburst-dominated emission. These results also suggest that PANHs constitute another reservoir of nitrogen in the Universe, in addition to the nitrogen in the gas phase and ices of the ISM.

The Secrets of the Nearest Starburst Cluster. II. The Present-Day Mass Function in NGC 3603

NASA Astrophysics Data System (ADS)

Stolte, Andrea; Brandner, Wolfgang; Brandl, Bernhard; Zinnecker, Hans

2006-07-01

Based on deep Very Large Telescope Infrared Spectrometer and Array Camera JHK photometry, we have derived the present-day mass function (MF) of the central starburst cluster NGC 3603 YC (Young Cluster) in the giant H II region NGC 3603. The effects of field contamination, individual reddening, and a possible binary contribution are investigated. The MF slopes resulting from the different methods are compared and lead to a surprisingly consistent cluster MF with a slope of Γ=-0.9+/-0.15. Analyzing different radial annuli around the cluster core, no significant change in the slope of the MF is observed. However, mass segregation in the cluster is evidenced by the increasing depletion of the high-mass tail of the stellar mass distribution with increasing radius. We discuss the indications of mass segregation with respect to the changes observed in the binned and cumulative stellar MFs and argue that the cumulative function, as well as the fraction of high- to low-mass stars, provides better indicators for mass segregation than the MF slope alone. Finally, the observed MF and starburst morphology of NGC 3603 YC are discussed in the context of massive local star-forming regions such as the Galactic center Arches cluster, R136/30 Dor in the LMC, and the Orion Trapezium cluster, all providing resolved templates for extragalactic star formation. Despite the similarity in the observed MF slopes, dynamical considerations suggest that the starburst clusters do not form gravitationally bound systems over a Hubble time. Both the environment (gravitational potential of the Milky Way) and the concentration of stars in the cluster core determine the dynamical stability of a dense star cluster, such that the long-term evolution of a starburst is not exclusively determined by the stellar evolution of its members, as frequently assumed for globular cluster systems. Based on observations obtained at the ESO Very Large Telescope on Paranal, Chile, under programs 63.I-0015 and 65.I

The Dense Molecular Gas and Nuclear Activity in the ULIRG IRAS 13120–5453

DOE Office of Scientific and Technical Information (OSTI.GOV)

Privon, G. C.; Treister, E.; Aalto, S.

2017-02-01

We present new Atacama Large Millimeter/submillimeter Array Band 7 (∼340 GHz) observations of the dense gas tracers HCN, HCO{sup +}, and CS in the local, single-nucleus, ultraluminous infrared galaxy IRAS 13120–5453. We find centrally enhanced HCN (4–3) emission, relative to HCO{sup +} (4–3), but do not find evidence for radiative pumping of HCN. Considering the size of the starburst (0.5 kpc) and the estimated supernovae rate of ∼1.2 yr{sup −1}, the high HCN/HCO{sup +} ratio can be explained by an enhanced HCN abundance as a result of mechanical heating by the supernovae, though the active galactic nucleus and winds maymore » also contribute additional mechanical heating. The starburst size implies a high Σ{sub IR} of 4.7 × 10{sup 12} L {sub ⊙} kpc{sup −2}, slightly below predictions of radiation-pressure limited starbursts. The HCN line profile has low-level wings, which we tentatively interpret as evidence for outflowing dense molecular gas. However, the dense molecular outflow seen in the HCN line wings is unlikely to escape the Galaxy and is destined to return to the nucleus and fuel future star formation. We also present modeling of Herschel observations of the H{sub 2}O lines and find a nuclear dust temperature of ∼40 K. IRAS 13120–5453 has a lower dust temperature and Σ{sub IR} than is inferred for the systems termed “compact obscured nuclei (CONs)” (such as Arp 220 and Mrk 231). If IRAS 13120–5453 has undergone a CON phase, we are likely witnessing it at a time when the feedback has already inflated the nuclear ISM and diluted star formation in the starburst/active galactic nucleus core.« less

The Metal Content of Dwarf Starburst Winds: Results from Chandra Observations of NGC 1569

NASA Astrophysics Data System (ADS)

Martin, Crystal L.; Kobulnicky, Henry A.; Heckman, Timothy M.

2002-08-01

We present deep Chandra spectral imaging of the dwarf starburst galaxy NGC 1569. The unprecedented spatial resolution allows us to spatially identify the components of the integrated X-ray spectrum. Fitted spectral models require an intrinsic absorption component and higher metal abundances than previous studies indicated. Our results provide the first direct evidence for metal-enriched winds from dwarf starburst galaxies. We identify 14 X-ray point sources in NGC 1569. Most have properties consistent with those of high-mass X-ray binaries, but one is a steep-spectrum radio source that is probably a supernova remnant. The X-ray luminosity of NGC 1569 is dominated by diffuse, thermal emission from the disk (0.7 keV) and bipolar halo (0.3 keV). Photoelectric absorption from the inclined H I disk hardens the X-ray spectrum on the northern side of the disk relative to the southern side. Requiring the fitted absorption column to match the H I column measured at 21 cm implies that the metallicity of the H I disk is significantly less than solar but greater than 0.1 Zsolar. Hence, much of the H I is enriched to levels comparable to the metallicity of the H II regions [O/H=0.2(O/H)solar]. The X-ray color variations in the halo are inconsistent with a free-streaming wind and probably reveal the location of shocks created by the interaction of the wind with a gaseous halo. The X-ray spectrum of the diffuse gas presents strong emission lines from α-process elements. Fitted models require α-element abundances greater than 0.25 Zα,solar and ratios of α-elements to iron 2-4 times higher than the solar ratio. The best fit to the spectrum is obtained with solar mass fractions for the α-elements, 1.0 Zα,solar, but a degeneracy between the metallicity and the spectral normalization prevents us from deriving an upper limit on the wind metallicity from the X-ray spectrum alone. We argue, however, that abundances larger than 2.0 Zα,solar pose awkward implications for the

Photometric Signatures of Starbursts in Interacting Galaxies and the Butcher-Oemler Effect

NASA Technical Reports Server (NTRS)

Rakos, Karl D.; Maindl, Thomas I.; Schombert, James M.

1996-01-01

This paper presents new and synthetic narrow band photometry of ellipticals, spirals, Seyferts and interacting galaxies in an attempt to identify the cause of the unusually high fraction of blue cluster galaxies in distant clusters (the Butcher-Oemler Effect). The properties and distribution of the low redshift sample specifically points to starbursts as the origin of the blue narrow band colors in interacting Arp galaxies.

Evidence of Nuclear Disks from the Radial Distribution of CCSNe in Starburst Galaxies

NASA Astrophysics Data System (ADS)

Herrero-Illana, Rubén; Pérez-Torres, Miguel Ángel; Alberdi, Antxon

Galaxy-galaxy interactions are expected to be responsible for triggering massive star formation and possibly accretion onto a supermassive black hole, by providing large amounts of dense molecular gas down to the central kiloparsec region. Several scenarios to drive the gas further down to the central ˜ 100 pc, have been proposed, including the formation of a nuclear disk around the black hole, where massive stars would produce supernovae. Here, we probe the radial distribution of supernovae and supernova remnants in the nuclear regions of the starburst galaxies M82, Arp 299-A, and Arp 220, by using high-angular resolution (≲ 0.'1) radio observations. We derived scale-length values for the putative nuclear disks, which range from ˜ 20-30 pc for Arp 299-A and Arp 220, up to ˜ 140 pc for M82. The radial distribution of SNe for the nuclear disks in Arp 299-A and Arp 220 is also consistent with a power-law surface density profile of exponent γ = 1, as expected from detailed hydrodynamical simulations of nuclear disks. This study is detailed in Herrero-Illana, Perez-Torres, and Alberdi [11].

The first high resolution image of coronal gas in a starbursting cool core cluster

NASA Astrophysics Data System (ADS)

Johnson, Sean

2017-08-01

Galaxy clusters represent a unique laboratory for directly observing gas cooling and feedback due to their high masses and correspondingly high gas densities and temperatures. Cooling of X-ray gas observed in 1/3 of clusters, known as cool-core clusters, should fuel star formation at prodigious rates, but such high levels of star formation are rarely observed. Feedback from active galactic nuclei (AGN) is a leading explanation for the lack of star formation in most cool clusters, and AGN power is sufficient to offset gas cooling on average. Nevertheless, some cool core clusters exhibit massive starbursts indicating that our understanding of cooling and feedback is incomplete. Observations of 10^5 K coronal gas in cool core clusters through OVI emission offers a sensitive means of testing our understanding of cooling and feedback because OVI emission is a dominant coolant and sensitive tracer of shocked gas. Recently, Hayes et al. 2016 demonstrated that synthetic narrow-band imaging of OVI emission is possible through subtraction of long-pass filters with the ACS+SBC for targets at z=0.23-0.29. Here, we propose to use this exciting new technique to directly image coronal OVI emitting gas at high resolution in Abell 1835, a prototypical starbursting cool-core cluster at z=0.252. Abell 1835 hosts a strong cooling core, massive starburst, radio AGN, and at z=0.252, it offers a unique opportunity to directly image OVI at hi-res in the UV with ACS+SBC. With just 15 orbits of ACS+SBC imaging, the proposed observations will complete the existing rich multi-wavelength dataset available for Abell 1835 to provide new insights into cooling and feedback in clusters.

High-Resolution Near-Infrared Spectroscopy of an Equivalent Width-Selected Sample of Starbursting Dwarf Galaxies

NASA Technical Reports Server (NTRS)

Maseda, Michael V.; VanDerWeL, Arjen; DaChuna, Elisabete; Rix, Hans-Walter; Pacafichi, Camilla; Momcheva, Ivelina; Brammer, Gabriel B.; Franx, Marijn; VanDokkum, Pieter; Bell, Eric F.;

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 .

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Privon, G. C.; Stierwalt, S.; Johnson, K. E.

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 H α emission is widespread and corresponds to a total unobscured star formation rate (SFR) of 0.44 M {sub ⊙} yr{sup −1}, which is 2.7 times higher than the SFR inferred from Sloan Digital Sky Survey (SDSS) data. The implied specific SFR (sSFR) formore » 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.« less

The Occurence of Nuclear Starbursts in Seyfert 1 Galaxies

NASA Astrophysics Data System (ADS)

Schinnerer, E.; Colbert, E.; Armus, L.; Scoville, N. Z.

2001-05-01

Medium resolution H and K band spectra with high angular reesolution were obtained for a small sample of nearby Seyfert galaxies using NIRSPEC at the Keck telescope. Recent studies with medium resolution have found evidence for a lack of powerful starbursts in Seyfert1 galaxies. Differences between the two Seyfert types might provide a challenge for the unified scheme proposed for Seyfert galaxies. A preliminary analysis indicates that most of the Seyfert1 galaxies do indeed show signs of circumnuclar star formation. Detailed modelling using population synthesis in conjunction with NIR spectral synthesis will allow to estimate the age, star formation history and mass of these stellar population.

High-resolution molecular line observations of active galaxies

NASA Astrophysics Data System (ADS)

García-Burillo, S.; Combes, F.; Usero, A.; Graciá-Carpio, J.

2008-10-01

The study of the content, distribution and kinematics of interstellar gas is a key to understand the origin and maintenance of both starburst and nuclear (AGN) activity in galaxies. The processes involved in AGN fueling encompass a wide range of scales, both spatial and temporal, which have to be studied. Probing the gas flow from the outer disk down to the central engine of an AGN host, requires the use of specific tracers of the interstellar medium adapted to follow the change of phase of the gas as a function of radius. Current mm-interferometers can provide a sharp view of the distribution and kinematics of molecular gas in the circumnuclear disks of galaxies through extensive CO line mapping. As such, CO maps are an essential tool to study AGN feeding mechanisms in the local universe. This is the scientific driver of the NUclei of GAlaxies (NUGA) survey, whose latest results are here reviewed. On the other hand, the use of specific molecular tracers of the dense gas phase can probe the feedback influence of activity on the chemistry and energy balance/redistribution in the interstellar medium of nearby galaxies. Millimeter interferometers are able to unveil the strong chemical differentiation present in the molecular gas disks of nearby starbursts and AGNs. Nearby active galaxies can be used as local templates to address the study of more distant galaxies where both star formation and AGN activity are deeply embedded.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagg, J.; Carilli, C. L.; Lentati, L.

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} Kmore » 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%.« less

A Massive Star Census of the Starburst Cluster R136

NASA Astrophysics Data System (ADS)

Crowther, Paul

2011-10-01

We propose to carry out a comprehensive census of the most massive stars in the central parsec {4"} of the starburst cluster, R136, which powers the Tarantula Nebula in the LMC. R136 is both sufficiently massive that the upper mass function is richly populated and young enough that its most massive stars have yet to explode as supernovae. The identification of very massive stars in R136, up to 300 solar masses, raises general questions of star formation, binarity and feedback in young massive clusters. The proposed STIS spectral survey of 36 stars more massive than 50 solar masses within R136 is ground-breaking, of legacy value, and is specifically tailored to a} yield physical properties; b} detect the majority of binaries by splitting observations between Cycles 19 and 20; c} measure rotational velocities, relevant for predictions of rotational mixing; d} quantify mass-loss properties for very massive stars; e} determine surface compositions; f} measure radial velocities, relevant for runaway stars and cluster dynamics; g} quantify radiative and mechanical feedback. This census will enable the mass function of very massive stars to be measured for the first time, as a result of incomplete and inadequate spectroscopy to date. It will also perfectly complement our Tarantula Survey, a ground-based VLT Large Programme, by including the most massive stars that are inaccessible to ground-based visual spectroscopy due to severe crowding. These surveys, together with existing integrated UV and optical studies will enable 30 Doradus to serve as a bona-fide template for unresolved extragalactic starburst regions.

A Massive Star Census of the Starburst Cluster R136

NASA Astrophysics Data System (ADS)

Crowther, Paul

2012-10-01

We propose to carry out a comprehensive census of the most massive stars in the central parsec {4"} of the starburst cluster, R136, which powers the Tarantula Nebula in the LMC. R136 is both sufficiently massive that the upper mass function is richly populated and young enough that its most massive stars have yet to explode as supernovae. The identification of very massive stars in R136, up to 300 solar masses, raises general questions of star formation, binarity and feedback in young massive clusters. The proposed STIS spectral survey of 36 stars more massive than 50 solar masses within R136 is ground-breaking, of legacy value, and is specifically tailored to a} yield physical properties; b} detect the majority of binaries by splitting observations between Cycles 19 and 20; c} measure rotational velocities, relevant for predictions of rotational mixing; d} quantify mass-loss properties for very massive stars; e} determine surface compositions; f} measure radial velocities, relevant for runaway stars and cluster dynamics; g} quantify radiative and mechanical feedback. This census will enable the mass function of very massive stars to be measured for the first time, as a result of incomplete and inadequate spectroscopy to date. It will also perfectly complement our Tarantula Survey, a ground-based VLT Large Programme, by including the most massive stars that are inaccessible to ground-based visual spectroscopy due to severe crowding. These surveys, together with existing integrated UV and optical studies will enable 30 Doradus to serve as a bona-fide template for unresolved extragalactic starburst regions.

Cosmic rays and the magnetic field in the nearby starburst galaxy NGC 253

NASA Astrophysics Data System (ADS)

Heesen, Volker

2008-02-01

The transport of cosmic rays (CR's) in large-scale magnetic fields can be bes t investigated in edge-on galaxies with radio continuum observations including p olarization. I observed the nearby starburst galaxy NGC 253 which hosts one of t he brightest known radio halos with the Effelsberg 100-m telescope and the VLA i nterferometer. The vertical emission profiles follow closely a two-component exp onential distribution where the scaleheight is a linear function of the synchrot ron lifetime of the CR electrons. This requires a convection dominated CR transp ort from the disk into the halo while the CR's lose their energy due to synchrot ron radiation the so-called CR aging. The interaction of the "disk-wind" with th e magnetic field explains the "X"-shaped magnetic field structure centered on th e nucleus where the ordered magnetic field is amplified by compression in the bo undaries of the expanding superbubbles of hot gas.

Circumstantial Starbirth in Starbursts: Systematic Variations in the Stellar and Nebular Content of Giant HII Regions in the Local Group Galaxy M33

NASA Astrophysics Data System (ADS)

Waller, W. H.; Murphy, E. J.; Gherz, R. D.; Polomski, E.; Woodward, C. E.; Fazio, G. G.; Rieke, G. H.; Spitzer/M33 Research Team

2005-12-01

From the Orion Nebula to the Hubble Deep Field, starburst activity can be seen transforming galaxian clouds of gas into populous clusters of stars. The pyrotechnics and chemical enrichment associated with this activity have led to outcomes as ubiquitous as interstellar dust and as exquisite as life on Earth. In this talk, I will focus on the circumstances of star formation in the environmental context of ongoing starburst activity. I begin with the premises that (1) the formation of a single star takes time, (2) the formation of a populous cluster takes even more time, and (3) ''stuff'' happens in the interim. Hubble images of the Orion Nebula and Eagle Nebula show how hot stars can excavate neighboring clouds of gas and photoevaporate the star-forming cores that are exposed. Hubble observations of giant HII regions in M33 reveal a significant variation in the stellar populations, such that the most metal-rich HII regions contain the greatest proportions of the most massive stars. ISO and Spitzer observations of these same HII regions reveal corresponding variations in the nebular content. These multi-wavelength diagnostics of the stellar-nebular feedback in galaxian starbursts suggest a star-forming mechanism which is subject to photo-evaporative ablation -- an erosive process that is systematically mediated by the metal abundance and corresponding amounts of protective dust in the starbursting environment.

Sub-arcsecond imaging of Arp 299-A at 150 MHz with LOFAR: Evidence for a starburst-driven outflow

NASA Astrophysics Data System (ADS)

Ramírez-Olivencia, N.; Varenius, E.; Pérez-Torres, M.; Alberdi, A.; Pérez, E.; Alonso-Herrero, A.; Deller, A.; Herrero-Illana, R.; Moldón, J.; Barcos-Muñoz, L.; Martí-Vidal, I.

2018-03-01

We report on the first sub-arcsecond (0.44 × 0.41 arcsec2) angular resolution image at 150 MHz of the A-nucleus in the luminous infrared galaxy Arp 299, from International Low Frequency Array (LOFAR) Telescope observations. The most remarkable finding is that of an intriguing two-sided, filamentary structure emanating from the A-nucleus, which we interpret as an outflow that extends up to at least 14 arcsec from the A-nucleus in the N-S direction ( ≈5 kpc deprojected size) and accounts for almost 40% of the extended emission of the entire galaxy system. We also discuss HST/NICMOS [FeII] 1.64 μm and H2 2.12 μm images of Arp 299-A, which show similar features to those unveiled by our 150 MHz LOFAR observations, providing strong morphological support for the outflow scenario. Finally, we discuss unpublished Na I D spectra that confirm the outflow nature of this structure. From energetic arguments, we rule out the low-luminosity active galactic nucleus in Arp 299-A as a driver for the outflow. On the contrary, the powerful, compact starburst in the central regions of Arp 299-A provides plenty of mechanical energy to sustain an outflow, and we conclude that the intense supernova (SN) activity in the nuclear region of Arp 299-A is driving the observed outflow. We estimate that the starburst wind can support a mass-outflow rate in the range (11-63 M⊙ yr-1) at speeds of up to 370-890 km s-1, and is relatively young, with an estimated kinematic age of 3-7 Myr. Those results open an avenue to the use of low-frequency (150 MHz), sub-arcsecond imaging with LOFAR to detect outflows in the central regions of local luminous infrared galaxies.

Submillimetre flux as a probe of molecular ISM mass in high-z galaxies

NASA Astrophysics Data System (ADS)

Liang, Lichen; Feldmann, Robert; Faucher-Giguère, Claude-André; Kereš, Dušan; Hopkins, Philip F.; Hayward, Christopher C.; Quataert, Eliot; Scoville, Nick Z.

2018-07-01

Recent long-wavelength observations on the thermal dust continuum suggest that the Rayleigh-Jeans tail can be used as a time-efficient quantitative probe of the dust and interstellar medium (ISM) mass in high-z galaxies. We use high-resolution cosmological simulations from the Feedback in Realistic Environment (FIRE) project to analyse the dust emission of M* ≳ 1010 M⊙ galaxies at z= 2-4. Our simulations (MASSIVEFIRE) explicitly include various forms of stellar feedback, and they produce the stellar masses and star formation rates of high-z galaxies in agreement with observations. Using radiative transfer modelling, we show that sub-millimetre (sub-mm) luminosity and molecular ISM mass are tightly correlated and that the overall normalization is in quantitative agreement with observations. Notably, sub-mm luminosity traces molecular ISM mass even during starburst episodes as dust mass and mass-weighted temperature evolve only moderately between z = 4 and z = 2, including during starbursts. Our finding supports the empirical approach of using broadband sub-mm flux as a proxy for molecular gas content in high-z galaxies. We thus expect single-band sub-mm observations with ALMA to dramatically increase the sample size of high-z galaxies with reliable ISM masses in the near future.

Submillimeter flux as a probe of molecular ISM mass in high-z galaxies

NASA Astrophysics Data System (ADS)

Liang, Lichen; Feldmann, Robert; Faucher-Giguère, Claude-André; Kereš, Dušan; Hopkins, Philip F.; Hayward, Christopher C.; Quataert, Eliot; Scoville, Nick Z.

2018-04-01

Recent long wavelength observations on the thermal dust continuum suggest that the Rayleigh-Jeans (RJ) tail can be used as a time-efficient quantitative probe of the dust and ISM mass in high-z galaxies. We use high-resolution cosmological simulations from the Feedback in Realistic Environment (FIRE) project to analyze the dust emission of M* ≳ 1010M⊙ galaxies at z = 2 - 4. Our simulations (MassiveFIRE) explicitly include various forms of stellar feedback, and they produce the stellar masses and star formation rates of high-z galaxies in agreement with observations. Using radiative transfer modelling, we show that sub-millimeter (sub-mm) luminosity and molecular ISM mass are tightly correlated and that the overall normalization is in quantitative agreement with observations. Notably, sub-mm luminosity traces molecular ISM mass even during starburst episodes as dust mass and mass-weighted temperature evolve only moderately between z = 4 and z = 2, including during starbursts. Our finding supports the empirical approach of using broadband sub-mm flux as a proxy for molecular gas content in high-z galaxies. We thus expect single-band sub-mm observations with ALMA to dramatically increase the sample size of high-z galaxies with reliable ISM masses in the near future.

High resolution radio and optical observations of the central starburst in the low-metallicity dwarf galaxy II Zw 40

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kepley, Amanda A.; Reines, Amy E.; Johnson, Kelsey E.

2014-02-01

The extent to which star formation varies in galaxies with low masses, low metallicities, and high star formation rate surface densities is not well constrained. To gain insight into star formation under these physical conditions, this paper estimates the ionizing photon fluxes, masses, and ages for young massive clusters in the central region of II Zw 40—the prototypical low-metallicity dwarf starburst galaxy—from radio continuum and optical observations. Discrete, cluster-sized sources only account for half the total radio continuum emission; the remainder is diffuse. The young (≲ 5 Myr) central burst has a star formation rate surface density that significantly exceedsmore » that of the Milky Way. Three of the 13 sources have ionizing photon fluxes (and thus masses) greater than R136 in 30 Doradus. Although isolating the effects of galaxy mass and metallicity is difficult, the H II region luminosity function and the internal extinction in the center of II Zw 40 appear to be primarily driven by a merger-related starburst. The relatively flat H II region luminosity function may be the result of an increase in interstellar medium pressure during the merger and the internal extinction is similar to that generated by the clumpy and porous dust in other starburst galaxies.« less

N-Band Observations of Henize 2-10: Unveiling the Dusty Engine of a Starburst Galaxy

NASA Astrophysics Data System (ADS)

Vacca, William D.; Johnson, Kelsey E.; Conti, Peter S.

2002-02-01

As part of an ongoing program to better understand the early stages of massive star cluster evolution and the physical conditions for their formation, we have obtained J, H, K', and N (10.8 μm) images of the nuclear region of the starburst galaxy He 2-10. The N-band images were obtained with the Gemini North Telescope. In only 10 minutes of on-source integration time with Gemini, we were able to detect four of the five enshrouded clusters, or ``ultradense H II regions'' (UD H II regions) recently discovered in radio maps. None of these sources appears in either the optical Hubble Space Telescope images or the near-infrared (J, H, and K') images. These sources make up about 60% of the total N-band flux from He 2-10 and, we suspect, a similar fraction of the total far-infrared flux measured by IRAS. The inferred spectra of the UD H II regions are strikingly similar to those of Galactic ultracompact H II regions. We have modeled the radio and IR spectra of these UD H II regions under the assumption that they are ``scaled-up'' Galactic ultracompact H II regions. From this model, the bolometric luminosity of the brightest cluster alone is estimated to be ~2×109 Lsolar. The total mass of the dust and gas in this UD H II region is Mshell~107 Msolar. We have also used the observed spectra to place constraints on the masses and ages of the stellar clusters enshrouded within the UD H II regions. For the brightest UD H II region, we find that the stellar mass must be Mcluster>~2.5×106 Msolar, and the age must be <~4.8×106 yr, with the most probable age being <~3.6×106 yr. If we assume that the region is pressure confined and enforce the requirement that the star formation efficiency must be less than ~90%, we find that the age of this stellar cluster must lie within a very narrow range, 4×105<τ<5×106 yr. All the clusters within the UD H II regions in He 2-10 are estimated to have ages less than about 5×106 yr and masses greater than about 5×105 Msolar. We find that

STRUCTURED MOLECULAR GAS REVEALS GALACTIC SPIRAL ARMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sawada, Tsuyoshi; Hasegawa, Tetsuo; Koda, Jin, E-mail: sawada.tsuyoshi@nao.ac.jp

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 highermore » 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.« less

Comparing Low-Redshift Compact Dwarf Starbursts in the RESOLVE Survey with High-Redshift Blue Nuggets

NASA Astrophysics Data System (ADS)

Palumbo, Michael Louis; Kannappan, Sheila; Snyder, Elaine; Eckert, Kathleen; Norman, Dara; Fraga, Luciano; Quint, Bruno; Amram, Philippe; Mendes de Oliveira, Claudia; RESOLVE Team

2018-01-01

We identify and characterize a population of compact dwarf starburst galaxies in the RESOLVE survey, a volume-limited census of galaxies in the local universe, to probe the possibility that these galaxies are related to “blue nuggets,” a class of intensely star-forming and compact galaxies previously identified at high redshift. Blue nuggets are thought to form as the result of intense compaction events that drive fresh gas to their centers. They are expected to display prolate morphology and rotation along their minor axes. We report IFU observations of three of our compact dwarf starburst galaxies, from which we construct high-resolution velocity fields, examining the evidence for minor axis or otherwise misaligned rotation. We find multiple cases of double nuclei in our sample, which may be indicative of a merger origin as in some blue nugget formation scenarios. We compare the masses, radii, gas-to-stellar mass ratios, star formation rates, stellar surface mass densities, and environmental contexts of our sample to expectations for blue nuggets.

A case study of an extremely luminous, highly spatially extended starburst only 1.7Gyr after the Big Bang

NASA Astrophysics Data System (ADS)

Farrah, Duncan

2017-08-01

Luminous starbursts, systems with SFRs exceeding 1000Msun yr-1, are predicted to be extremely rare at z>3. However, recent observations find such systems at rates of tens to hundreds above predictions. This discrepancy is extremely difficult to explain. Case studies of such luminous starbursts are thus of profound importance to understand how star formation is triggered and quenched at z > 3, and help reconcile models with observations. Our group has been intensively studying the quasar SDSS J160705.16, at z = 3.65 (or 1.7Gyr after the Big Bang). This quasar is an excellent case study of luminous star formation at z > 3, and how AGN activity may affect such star formation. SDSS J160705.16 harbors both a broad-line, luminous quasar and an extremely high star formation rate, with an AGN luminosity of 10^47 ergs s-1 and an SFR of 2000 Msol yr-1. Sub-mm interferometry has further revealed that the star formation is highly spatially extended on scales up to 40kpc. Furthermore, VLA observations show an emerging 4kpc radio jet.We here propose WFC3 imaging with the following goals: (1) to set precise constraints on any lensing magnification, (2) to determine the morphology and color structure of the extended star formation, (3) to compare the optical morphology of the star formation to that seen in the sub-mm data, and (4) to search for evidence that SDSS J160705.16 resides in a protocluster.

H I observations of the nearest starburst galaxy NGC 253 with the SKA precursor KAT-7

NASA Astrophysics Data System (ADS)

Lucero, D. M.; Carignan, C.; Elson, E. C.; Randriamampandry, T. H.; Jarrett, T. H.; Oosterloo, T. A.; Heald, G. H.

2015-07-01

We present H I observations of the Sculptor group starburst spiral galaxy NGC 253, obtained with the Karoo Array Telescope (KAT-7). KAT-7 is a pathfinder for the Square Kilometre Array precursor MeerKAT, under construction. The short baselines and low system temperature of the telescope make it very sensitive to large-scale, low-surface-brightness emission. The KAT-7 observations detected 33 per cent more flux than previous Very Large Array observations, mainly in the outer parts and in the halo for a total H I mass of 2.1 ± 0.1 × 109 M⊙. H I can be found at large distances perpendicular to the plane out to projected distances of ˜9-10 kpc away from the nucleus and ˜13-14 kpc at the edge of the disc. A novel technique, based on interactive profile fitting, was used to separate the main disc gas from the anomalous (halo) gas. The rotation curve (RC) derived for the H I disc confirms that it is declining in the outer parts, as seen in previous optical Fabry-Perot measurements. As for the anomalous component, its RC has a very shallow gradient in the inner parts and turns over at the same radius as the disc, kinematically lagging by 100 km s-1. The kinematics of the observed extra-planar gas is compatible with an outflow due to the central starburst and galactic fountains in the outer parts. However, the gas kinematics shows no evidence for inflow. Analysis of the near-IR WISE data, shows clearly that the star formation rate is compatible with the starburst nature of NGC 253.

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.

Molecular and Supermolecular Structure of Commercial Pyrodextrins.

PubMed

Le Thanh-Blicharz, Joanna; Błaszczak, Wioletta; Szwengiel, Artur; Paukszta, Dominik; Lewandowicz, Grażyna

2016-09-01

Size exclusion chromatography with triple detection as well as infrared spectroscopy studies of commercially available pyrodextrins proved that these molecules are characterized not only by significantly lower molecular mass, in comparison to that of native starch, but also by increased branching. Therefore, pyrodextrins adopt a very compact structure in solution and show Newtonian behavior under shear in spite of their molecular masses of tens of thousands Daltons. The results also indicate that 50% reduction of digestibility of pyrodextrins is, to a minor extent, caused by formation of low-molecular color compounds containing carbonyl functional groups. The main reason is, as postulated in the literature, transglycosidation that leads to decreased occurrence of α-1,4-glycoside bonds in the molecular structure. In the process of dextrinization starch also undergoes changes in supermolecular structure, which, however, have no influence on digestibility. Likewise, the effect of formation of low-molecular colorful compounds containing carbonyl groups is not crucial. © 2016 Institute of Food Technologists®

The Mid-Infrared Spectrum of the Galactic Center: A Starburst Nucleus

NASA Technical Reports Server (NTRS)

Simpson, J. P.; Witteborn, F. C.; Cohen, M.; Price, S. D.

1998-01-01

Using the Michelson interferometer on the Midcourse Space Experiment (MSX), we have taken spectra of many positions in the central 25 min of the Galactic Center (GC) with a 6 min x 9 min FOV. The spectral coverage was 380 to 1700/ cm (6 to 26 microns) and the resolution was approx. 21/cm. The spectra exhibit strong UIR/PAH features at 6.2, 7.7, 8.6 and 11.3 microns, in addition to the ionic lines of (Ne II), at 12.8 microns, (S III) 18.7 microns, and (Ar II) 6.98 microns. There are deep silicate absorption features at 10 and 18 microns and a cold continuum increasing at the longest wavelengths. Additional weak features are present in the spectra. We discuss the variation in the extinction at 10 microns as a function of location in the GC. Compared to the MSX spectrum of the Orion nebula, smoothed to the same resolution and multiplied by the estimated GC extinction, the GC spectra have similar PAH features, but the Orion Nebula also has strong lines of (He III) 15.6 microns, (S IV) 10.5 microns, and (Ar III) 8.99 microns and its 25 microns continuum is stronger (colder). Thus, the GC exhibits the mid-IR spectrum of a low excitation H II region and a nearby molecular cloud with a surface photodissociation region (PDR). This is in excellent agreement with the canonical model of a starburst nucleus in which the hot stars and molecular clouds are randomly distributed. The outer surfaces of the clouds are photodissociated and ionized by the photons from the stars located outside the clouds. The PAH molecules are transiently heated by the stellar photons. Since the exciting stars are located well outside the clouds, the radiation field is dilute compared to a newly-formed blister H II region like Orion; this dilute radiation field causes the relatively low excitation of the ionic lines.

13CO 1-0 imaging of the Medusa merger, NGC 4194. Large scale variations in molecular cloud properties

NASA Astrophysics Data System (ADS)

Aalto, S.; Beswick, R.; Jütte, E.

2010-11-01

Aims: Studying molecular gas properties in merging galaxies gives important clues to the onset and evolution of interaction-triggered starbursts. The frac{12CO}{13CO} line intensity ratio can be used as a tracer of how dynamics and star formation processes impact the gas properties. The Medusa merger (NGC 4194) is particularly interesting to study since its {L_FIRover L_CO} ratio rivals that of ultraluminous galaxies (ULIRGs), despite the comparatively modest luminosity, indicating an exceptionally high star formation efficiency (SFE) in the Medusa merger. Methods: High resolution OVRO (Owens Valley Radio Observatory) observations of the 13CO 1-0 have been obtained and compared with matched resolution OVRO 12CO 1-0 data to investigate the molecular gas cloud properties in the Medusa merger. Results: Interferometric observations of 12CO and 13CO 1-0 in the Medusa (NGC 4194) merger show the {{12CO} over {13CO}} 1-0 intensity ratio ({\\cal R}) increases from normal, quiescent values (7-10) in the outer parts (r > 2 kpc) of the galaxy to high (16 to > 40) values in the central (r < 1 kpc) starburst region. In the central two kpc there is an east-west gradient in {\\cal R} where the line ratio changes by more than a factor of three over 5” (945 pc). The integrated 13CO emission peaks in the north-western starburst region while the central 12CO emission is strongly associated with the prominent crossing dust-lane. Conclusions: We discuss the central east-west gradient in {\\cal R} in the context of gas properties in the starburst and the central dust lane. We suggest that the central gradient in {\\cal R} is mainly caused by diffuse gas in the dust lane. In this scenario, the actual molecular mass distribution is better traced by the 13CO 1-0 emission than the 12CO. The possibilities of temperature and abundance gradients are also discussed. We compare the central gas properties of the Medusa to those of other minor mergers and suggest that the extreme and transient

Herschel-ATLAS: A Binary HyLIRG Pinpointing a Cluster of Starbursting Protoellipticals

NASA Technical Reports Server (NTRS)

Ivison, R.J.; Swinbank, A.M.; Smail, Ian; Harris, A. I.; Bussmann, R. S.; Cooray, A.; Cox, P.; Fu, H.; Kovacs, A.; Krips, M.;

Self-assembly of monodisperse starburst carbon spheres into hierarchically organized nanostructured supercapacitor electrodes.

PubMed

Kim, Sung-Kon; Jung, Euiyeon; Goodman, Matthew D; Schweizer, Kenneth S; Tatsuda, Narihito; Yano, Kazuhisa; Braun, Paul V

2015-05-06

We report a three-dimensional (3D) porous carbon electrode containing both nanoscale and microscale porosity, which has been hierarchically organized to provide efficient ion and electron transport. The electrode organization is provided via the colloidal self-assembly of monodisperse starburst carbon spheres (MSCSs). The periodic close-packing of the MSCSs provides continuous pores inside the 3D structure that facilitate ion and electron transport (electrode electrical conductivity ∼0.35 S m(-1)), and the internal meso- and micropores of the MSCS provide a good specific capacitance. The capacitance of the 3D-ordered porous MSCS electrode is ∼58 F g(-1) at 0.58 A g(-1), 48% larger than that of disordered MSCS electrode at the same rate. At 1 A g(-1) the capacitance of the ordered electrode is 57 F g(-1) (95% of the 0.24 A g(-1) value), which is 64% greater than the capacitance of the disordered electrode at the same rate. The ordered electrode preserves 95% of its initial capacitance after 4000 charging/discharging cycles.

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

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.

Compact Starburst Galaxies with Fast Outflows: Spatially Resolved Stellar Mass Profiles

NASA Astrophysics Data System (ADS)

Gottlieb, Sophia; Diamond-Stanic, Aleksandar; Lipscomb, Charles; Ohene, Senyo; Rines, Josh; Moustakas, John; Sell, Paul; Tremonti, Christy; Coil, Alison; Rudnick, Gregory; Hickox, Ryan C.; Geach, James; Kepley, Amanda

2018-01-01

Powerful galactic winds driven by stellar feedback and black hole accretion are thought to play an important role in regulating star formation in galaxies. In particular, strong stellar feedback from supernovae, stellar winds, radiation pressure, and cosmic rays is required by simulations of star-forming galaxies to prevent the vast majority of baryons from cooling and collapsing to form stars. However, it remains unclear whether these stellar processes play a significant role in expelling gas and shutting down star formation in massive progenitors of quiescent galaxies. What are the limits of stellar feedback? We present multi-band photometry with HST/WFC3 (F475W, F814W, F160W) for a dozen compact starburst galaxies at z~0.6 with half-light radii that suggest incredibly large central escape velocities. These massive galaxies are driving fast (>1000 km/s) outflows that have been previously attributed to stellar feedback associated with the compact (r~100 pc) starburst. But how compact is the stellar mass? In the context of the stellar feedback hypothesis, it is unclear whether these fast outflows are being driven at velocities comparable to the escape velocity of an incredibly dense stellar system (as predicted by some models of radiation-pressure winds) or at velocities that exceed the central escape velocity by large factor. Our spatially resolved measurements with HST show that the stellar mass is more extended than the light, and this requires that the physical mechanism responsible for driving the winds must be able to launch gas at velocities that are factors of 5-10 beyond the central escape velocity.

New tools for the tracing of ancient starbursts: Analysing globular cluster systems using Lick indices

NASA Astrophysics Data System (ADS)

Lilly, T.; Fritze-v. Alvensleben, U.; de Grijs, R.

2005-05-01

We present mathematically advanced tools for the determination of age, metallicity, and mass of old Globular Clusters (CGs) using both broad-band colors and spectral indices, and we present their application to the Globular Cluster Systems (GCSs) of elliptical galaxies. Since one of the most intriguing questions of today's astronomy aims at the evolutionary connection between (young) violently interacting galaxies at high-redshift and the (old) elliptical galaxies we observe nearby, it is necessary to reveal the possibly violent star-formation history of these old galaxies. By means of evolutionary synthesis models, we can show that, using the integrated light of a galaxy's (composite) stellar content alone, it is impossible to date (and, actually, to identify) even very strong starbursts if these events took place more than two or three Gyr ago. However, since large and violent starbursts are associated with the formation of GCs, GCSs are very good tracers of the most violent starburst events in the history of their host galaxies. Using our well-established Göttingen SED (Spectral Energy Distribution) analysis tool, we can reveal the age, metallicity, mass (and possibly extinction) of GCs by comparing the observations with an extensive grid of SSP model colors. This is done in a statistically advanced and reasonable way, including their 1 σ uncertainties. However, since for all colors the evolution slows down considerably at ages older than about 8 Gyr, even with several passbands and a long wavelength base line, the results are severely uncertain for old clusters. Therefore, we incorporated empirical calibrations for Lick indices in our models and developed a Lick indices analysis tool that works in the same way as the SED analysis tool described above. We compare the theoretical possibilities and limitations of both methods as well as their results for the example of the cD galaxy NGC 1399, for which both multi-color observations and, for a subsample of

Discovery of a z = 0.65 post-starburst BAL quasar in the DES supernova fields

DOE PAGES

Mudd, Dale; Martini, Paul; Tie, Suk Sien; ...

2017-03-23

In this paper, we present the discovery of a z = 0.65 low-ionization broad absorption line (LoBAL) quasar in a post-starburst galaxy in data from the Dark Energy Survey (DES) and spectroscopy from the Australian Dark Energy Survey (OzDES). LoBAL quasars are a minority of all BALs, and rarer still is that this object also exhibits broad Fe ii (an FeLoBAL) and Balmer absorption. This is the first BAL quasar that has signatures of recently truncated star formation, which we estimate ended about 40 Myr ago. The characteristic signatures of an FeLoBAL require high column densities, which could be explainedmore » by the emergence of a young quasar from an early, dust-enshrouded phase, or by clouds compressed by a blast wave. Finally, the age of the starburst component is comparable to estimates of the lifetime of quasars, so if we assume the quasar activity is related to the truncation of the star formation, this object is better explained by the blast wave scenario.« less

Discovery of a z = 0.65 post-starburst BAL quasar in the DES supernova fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mudd, Dale; Martini, Paul; Tie, Suk Sien

We present the discovery of a z=0.65 low-ionization broad absorption line (LoBAL) quasar in a post-starburst galaxy in data from the Dark Energy Survey (DES) and spectroscopy from the Australian Dark Energy Survey (OzDES). LoBAL quasars are a minority of all BALs, and rarer still is that this object also exhibits broad FeII (an FeLoBAL) and Balmer absorption. This is the first BAL quasar that has signatures of recently truncated star formation, which we estimate ended about 40 Myr ago. The characteristic signatures of an FeLoBAL require high column densities, which could be explained by the emergence of a youngmore » quasar from an early, dust-enshrouded phase, or by clouds compressed by a blast wave. The age of the starburst component is comparable to estimates of the lifetime of quasars, so if we assume the quasar activity is related to the truncation of the star formation, this object is better explained by the blast wave scenario.« less

Discovery of a z = 0.65 post-starburst BAL quasar in the DES supernova fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mudd, Dale; Martini, Paul; Tie, Suk Sien

In this paper, we present the discovery of a z = 0.65 low-ionization broad absorption line (LoBAL) quasar in a post-starburst galaxy in data from the Dark Energy Survey (DES) and spectroscopy from the Australian Dark Energy Survey (OzDES). LoBAL quasars are a minority of all BALs, and rarer still is that this object also exhibits broad Fe ii (an FeLoBAL) and Balmer absorption. This is the first BAL quasar that has signatures of recently truncated star formation, which we estimate ended about 40 Myr ago. The characteristic signatures of an FeLoBAL require high column densities, which could be explainedmore » by the emergence of a young quasar from an early, dust-enshrouded phase, or by clouds compressed by a blast wave. Finally, the age of the starburst component is comparable to estimates of the lifetime of quasars, so if we assume the quasar activity is related to the truncation of the star formation, this object is better explained by the blast wave scenario.« less

An optical-near-IR study of a triplet of super star clusters in the starburst core of M82

DOE Office of Scientific and Technical Information (OSTI.GOV)

Westmoquette, M. S.; Bastian, N.; Smith, L. J.

2014-07-10

We present HST/STIS optical and Gemini/NIFS near-IR IFU spectroscopy and archival Hubble Space Telescope (HST) imaging of the triplet of super star clusters (A1, A2, and A3) in the core of the M82 starburst. Using model fits to the Space Telescope Imaging Spectrograph (STIS) spectra and the weakness of red supergiant CO absorption features (appearing at ∼6 Myr) in the NIFS H-band spectra, the ages of A2 and A3 are 4.5 ± 1.0 Myr. A1 has strong CO bands, consistent with our previously determined age of 6.4 ± 0.5 Myr. The photometric masses of the three clusters are 4-7 ×more » 10{sup 5} M{sub ☉}, and their sizes are R{sub eff} = 159, 104, 59 mas (∼2.8, 1.8, 1.0 pc) for A1, A2, and A3. The STIS spectra yielded radial velocities of 320 ± 2, 330 ± 6, and 336 ± 5 km s{sup –1} for A1, A2, and A3, placing them at the eastern end of the x{sub 2} orbits of M82's bar. Clusters A2 and A3 are in high-density (800-1000 cm{sup –3}) environments, and like A1, are surrounded by compact H II regions. We suggest the winds from A2 and A3 have stalled, as in A1, due to the high ISM ambient pressure. We propose that the three clusters were formed in situ on the outer x{sub 2} orbits in regions of dense molecular gas subsequently ionized by the rapidly evolving starburst. The similar radial velocities of the three clusters and their small projected separation of ∼25 pc suggest that they may merge in the near future unless this is prevented by velocity shearing.« less

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.

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

Learning surface molecular structures via machine vision

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

The Inner Structure of OH Megamaser Galaxies: The Genesis of the Unified Scheme of Active Galactic Nuclei

NASA Astrophysics Data System (ADS)

Axon, David

OH megamaser galaxies (OHMG) represent a key post-merger phase in the evolution of the Ultra-Luminous Infrared Galaxies (ULIRGs) population, in which an edge-on circum-nuclear gas disk (proto-torus) has already formed. Detailed interferometric mapping of maser sources implies that they originate in dense edge-on rotating molecular gas within a few tens of parsecs of the AGN. In addition, the OH lines are often broad (Doppler widths ~ 1000 km/s), implying large dynamical masses in the central few parsecs. In many systems the OH lines also show high velocity asymmetric tails suggesting large-scale outflows that could be clearing away enshrouding dense molecular material. Taken together this evidence points to a picture in which an OHMG hosts a nascent QSO surrounded by a flattened distribution of dense molecular gas that is in the process of being cleared away along the rotation axis of the maser disk. A great advantage of studying OHMG systems over the general ULIRG population is that the circum-nuclear disks are effectively "fixed" at an edge on orientation, thereby breaking the degeneracy between the number of clumps and inclination in state of the art clumpy torus models. We have been awarded HST time in cycle 17 to conduct a comprehensive study of structure of the circum-nuclear gas, and its relationship to the radio structure and that of the maser disk, of large sample (80) of OHMG. This work is supported by ground-based spectropolarimetry, integral field spectroscopy and new radio continuum observations, Our overall objective is to probe the final stages of evolution immediately before the full- emergence of an enshrouded AGN as the circum-nuclear dust is dispersed by starburst and AGN-induced outflows. The specific scientific goals of this ADP proposal are to retrieve and analyze the Spitzer thermal-IR 5-70 micron imaging and IRS spectra of the subset of 72 of our targets for which Spitzer observations are available in the archive. We aim to establish the

Scales of Star Formation: Does Local Environment Matter?

NASA Astrophysics Data System (ADS)

Bittle, Lauren

2018-01-01

I will present my work on measuring molecular gas properties in local universe galaxies to assess the impact of local environment on the gas and thus star formation. I will also discuss the gas properties on spatial scales that span an order of magnitude to best understand the layers of star formation processes. Local environments within these galaxies include external mechanisms from starburst supernova shells, spiral arm structure, and superstar cluster radiation. Observations of CO giant molecular clouds (GMC) of ~150pc resolution in IC 10, the Local Group dwarf starburst, probe the large-scale diffuse gas, some of which are near supernova bubble ridges. We mapped CO clouds across the spiral NGC 7793 at intermediate scales of ~20pc resolution with ALMA. With the clouds, we can test theories of cloud formation and destruction in relation to the spiral arm pattern and cluster population from the HST LEGUS analysis. Addressing the smallest scales, I will show results of 30 Doradus ALMA observations of sub-parsec dense molecular gas clumps only 15pc away from a superstar cluster R136. Though star formation occurs directly from the collapse of densest molecular gas, we test theories of scale-free star formation, which suggests a constant slope of the mass function from ~150pc GMCs to sub-parsec clumps. Probing environments including starburst supernova shells, spiral arm structure, and superstar cluster radiation shed light on how these local external mechanisms affect the molecular gas at various scales of star formation.

Contributions to advances in blend pellet products (BPP) research on molecular structure and molecular nutrition interaction by advanced synchrotron and globar molecular (Micro)spectroscopy.

PubMed

Guevara-Oquendo, Víctor H; Zhang, Huihua; Yu, Peiqiang

2018-04-13

To date, advanced synchrotron-based and globar-sourced techniques are almost unknown to food and feed scientists. There has been little application of these advanced techniques to study blend pellet products at a molecular level. This article aims to provide recent research on advanced synchrotron and globar vibrational molecular spectroscopy contributions to advances in blend pellet products research on molecular structure and molecular nutrition interaction. How processing induced molecular structure changes in relation to nutrient availability and utilization of the blend pellet products. The study reviews Utilization of co-product components for blend pellet product in North America; Utilization and benefits of inclusion of pulse screenings; Utilization of additives in blend pellet products; Application of pellet processing in blend pellet products; Conventional evaluation techniques and methods for blend pellet products. The study focus on recent applications of cutting-edge vibrational molecular spectroscopy for molecular structure and molecular structure association with nutrient utilization in blend pellet products. The information described in this article gives better insight on how advanced molecular (micro)spectroscopy contributions to advances in blend pellet products research on molecular structure and molecular nutrition interaction.

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

PubMed

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

2015-10-01

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

Giant Molecular Clouds with High Abundance of Atomic Carbon and Cyano Radical in the Milky Way's Central Molecular Zone

NASA Astrophysics Data System (ADS)

Tanaka, Kunihiko; Oka, Tomoharu; Nagai, Makoto; Kamegai, Kazuhisa

2015-08-01

The central 400 pc region of the Milky Way Galaxy is the closest galactic central region to us, providing a unique opportunity to detailedly investigate gas dynamics, star formation activity, and chemistry under the extreme environment of galactic centers, where the presence of bar, intense UV/cosmic-ray fluxes, high degree of turbulence may significantly affect those processes. We report the results of molecular line surveys toward the Milky Way's central molecular zone (CMZ) performed with the ASTE 10m telescope, the Mopra 22m telescope, and the Nobeyama 45 m telescope. With the observations of the 500 GHz [CI] fine structure line of atomic carbon (C0), we have found a molecular cloud structure with remarkably bright [CI] emission in the Sgr A comlex in the innermost 20 pc region. The [CI] cloud is more extended than the GMCs in the region, and appears to connect the northern part of the 50 kms-1 (M-0.02-0.07) and the circumnuclear disk (CND), though no corresponding structures are visible in other molecular lines. The [C0]/[CO] abundance ratio is measured to be 0.5-2, which is 2-10 times those measured to the clouds at larger Galactic radii. This high ratio is close to the values measured toward centers of galaxies with starburst and AGN, suggesting that the chemical state of the cloud is similar to that in those active galaxies. We have also found a large scale gradient of the cyano radical (CN) abundance toward the Galactic center in the innermost 100 pc radius, showing near the Sgr A complex. We suggest that the cloud with high C0 and CN abundance is a feature formed as a result of inward transfer of diffuse molecular gas by the bar potential in the inner Galaxy, in which PDR-like chemical composition remains preserved, and that thus the [CI] cloud could be deeply related to formation of the GMCs and star formation in the CMZ. We also discuss other possible mechanisms to enhance C0 and CN abundances, including the enhanced cosmic-ray dissociation ratio.

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.)

ALMA Imaging of Gas and Dust in a Galaxy Protocluster at Redshift 5.3: [C II] Emission in "Typical" Galaxies and Dusty Starbursts ≈1 Billion Years after the Big Bang

NASA Astrophysics Data System (ADS)

Riechers, Dominik A.; Carilli, Christopher L.; Capak, Peter L.; Scoville, Nicholas Z.; Smolčić, Vernesa; Schinnerer, Eva; Yun, Min; Cox, Pierre; Bertoldi, Frank; Karim, Alexander; Yan, Lin

2014-12-01

We report interferometric imaging of [C II](2 P 3/2→2 P 1/2) and OH(2Π1/2 J = 3/2→1/2) emission toward the center of the galaxy protocluster associated with the z = 5.3 submillimeter galaxy (SMG) AzTEC-3, using the Atacama Large (sub)Millimeter Array (ALMA). We detect strong [C II], OH, and rest-frame 157.7 μm continuum emission toward the SMG. The [C II](2 P 3/2→2 P 1/2) emission is distributed over a scale of 3.9 kpc, implying a dynamical mass of 9.7 × 1010 M ⊙, and a star formation rate (SFR) surface density of ΣSFR = 530 M ⊙ yr-1 kpc-2. This suggests that AzTEC-3 forms stars at ΣSFR approaching the Eddington limit for radiation pressure supported disks. We find that the OH emission is slightly blueshifted relative to the [C II] line, which may indicate a molecular outflow associated with the peak phase of the starburst. We also detect and dynamically resolve [C II](2 P 3/2→2 P 1/2) emission over a scale of 7.5 kpc toward a triplet of Lyman-break galaxies with moderate UV-based SFRs in the protocluster at ~95 kpc projected distance from the SMG. These galaxies are not detected in the continuum, suggesting far-infrared SFRs of <18-54 M ⊙ yr-1, consistent with a UV-based estimate of 22 M ⊙ yr-1. The spectral energy distribution of these galaxies is inconsistent with nearby spiral and starburst galaxies, but resembles those of dwarf galaxies. This is consistent with expectations for young starbursts without significant older stellar populations. This suggests that these galaxies are significantly metal-enriched, but not heavily dust-obscured, "normal" star-forming galaxies at z > 5, showing that ALMA can detect the interstellar medium in "typical" galaxies in the very early universe.

Crystalline molecular machines: Encoding supramolecular dynamics into molecular structure

PubMed Central

Garcia-Garibay, Miguel A.

2005-01-01

Crystalline molecular machines represent an exciting new branch of crystal engineering and materials science with important implications to nanotechnology. Crystalline molecular machines are crystals built with molecules that are structurally programmed to respond collectively to mechanic, electric, magnetic, or photonic stimuli to fulfill specific functions. One of the main challenges in their construction derives from the picometric precision required for their mechanic operation within the close-packed, self-assembled environment of crystalline solids. In this article, we outline some of the general guidelines for their design and apply them for the construction of molecular crystals with units intended to emulate macroscopic gyroscopes and compasses. Recent advances in the preparation, crystallization, and dynamic characterization of these interesting systems offer a foothold to the possibilities and help highlight some avenues for future experimentation. PMID:16046543

A Hubble View of Starburst Galaxy Messier 94

NASA Image and Video Library

2017-12-08

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 or starburst ring around Messier 94, new stars are forming at a high rate and many young, bright stars are present within it. The cause of this peculiarly shaped star-forming region is likely a pressure wave going outwards from the galactic center, 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. Image credit: ESA/NASA NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Near-infrared spectroscopy of post-starburst galaxies: a limited impact of TP-AGB stars on galaxy spectral energy distributions

NASA Astrophysics Data System (ADS)

Zibetti, Stefano; Gallazzi, Anna; Charlot, Stéphane; Pierini, Daniele; Pasquali, Anna

2013-01-01

We present Very Large Telescope Infrared Spectrometer And Array Camera (ISAAC) near-infrared (NIR) spectrophotometric observations of 16 post-starburst galaxies aimed at constraining the debated influence of thermally pulsing asymptotic giant branch (TP-AGB) stars on the spectral energy distribution (SED) of galaxies with stellar ages between 0.5 and 2 Gyr, hence critical for high-redshift studies. Post-starburst galaxies are characterized by negligible ongoing star formation and a SED dominated by the stellar population formed in a recent (<2 Gyr) burst. By selecting post-starburst galaxies with mean luminosity-weighted ages between 0.5 and 1.5 Gyr and a broad range of metallicities (based on Sloan Digital Sky Survey optical spectroscopy), we explore the parameter space over which the relative energy output of TP-AGB stars peaks. A key feature of the present study is that we target galaxies at z ≈ 0.2, so that two main spectral features of TP-AGB stars (C-molecule band-head drops at 1.41 and 1.77 μm, blended with strong telluric absorption features, hence hardly observable from the ground, for targets at z ≈ 0) move inside the H and K atmospheric windows and can be constrained for the first time to high accuracy. Our observations provide key constraints to stellar population synthesis models. Our main results are (i) the NIR regions around 1.41 and 1.77 μm (rest frame) are featureless for all galaxies in our sample over the whole range of relevant ages and metallicities at variance with the Maraston `TP-AGB heavy' models, which exhibit marked drops there, and (ii) no flux boosting is observed in the NIR. The optical-NIR SEDs of most of our post-starburst galaxies can be consistently reproduced with the 2003 version of the Bruzual & Charlot models, using either simple stellar populations of corresponding light-weighted ages and metallicities or a more realistic burst plus an underlying old population containing up to approximately 60 per cent of the total

The Bright and Dark Sides of High-redshift Starburst Galaxies from Herschel and Subaru Observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Puglisi, A.; Rodighiero, G.; Rodríguez-Muñoz, L.

2017-04-01

We present rest-frame optical spectra from the FMOS-COSMOS survey of 12 z ∼ 1.6 Herschel starburst galaxies, with star formation rate (SFR) elevated by ×8, on average, above the star-forming main sequence (MS). Comparing the H α to IR luminosity ratio and the Balmer decrement, we find that the optically thin regions of the sources contain on average only ∼10% of the total SFR, whereas ∼90% come from an extremely obscured component that is revealed only by far-IR observations and is optically thick even in H α . We measure the [N ii]{sub 6583}/H α ratio, suggesting that the lessmore » obscured regions have a metal content similar to that of the MS population at the same stellar masses and redshifts. However, our objects appear to be metal-rich outliers from the metallicity–SFR anticorrelation observed at fixed stellar mass for the MS population. The [S ii]{sub 6732}/[S ii]{sub 6717} ratio from the average spectrum indicates an electron density n {sub e} ∼ 1100 cm{sup −3} , larger than what was estimated for MS galaxies but only at the 1.5 σ level. Our results provide supporting evidence that high- z MS outliers are analogous of local ULIRGs and are consistent with a major-merger origin for the starburst event.« less

Observations of the impact of starbursts on the interstellar medium in dwarf galaxies

NASA Astrophysics Data System (ADS)

Marlowe, Amanda T.; Heckman, Timothy M.; Wyse, Rosemary F. G.; Schommer, Robert

1995-01-01

Dwarf galaxies play a crucial role in our understanding of the formation and evolution of galaxies, and the concept of supernova-driven mass outflows is a vital ingredient in theories of the structure and evolution of dwarf galaxies. Despite the theoretical importance of these outflows, there is a very limited amount of direct observational evidence for their existence. We have therefore begun a detailed multi-wave-band search for outflows in dwarf (MB greater than or = -18) galaxies with extensive recent or ongoing centrally concentrated star formation. We report the first results of this search in the present paper. Observations of the ionized gas in dwarf amorphous galaxies with centrally concentrated populations of massive stars provide evidence for the large-scale expansion of their expansion of their ionized interstellar media. Fabry-Perot H alpha images reveal the presence of kiloparsec-scale 'superbubbles' and filaments which tend to be oriented along the galaxy minor axis. These structures are comparable in size to the chracteristic optical sizes of the galaxies, and dominate the morphology of the galaxies at low surface brightness in H alpha. Since expanding structure of this size and velocity are not observed in all low-mass galaxies with recent or ongoing star formation, we suggest that we are witnessing transient events that likely have a relatively low 'duty cycle' in such galaxies. That is, we argue that the particular galaxies in the present paper have had significantly elevated star formation rates over the past 107-108 yr (i.e., these are starburst or young poststarburst systems). This interpretation is consistent with the optical colors and emission-line properties of these galaxies.

Observations of the impact of starbursts on the interstellar medium in dwarf galaxies

NASA Technical Reports Server (NTRS)

Marlowe, Amanda T.; Heckman, Timothy M.; Wyse, Rosemary F. G.; Schommer, Robert

1995-01-01

Dwarf galaxies play a crucial role in our understanding of the formation and evolution of galaxies, and the concept of supernova-driven mass outflows is a vital ingredient in theories of the structure and evolution of dwarf galaxies. Despite the theoretical importance of these outflows, there is a very limited amount of direct observational evidence for their existence. We have therefore begun a detailed multi-wave-band search for outflows in dwarf (M(sub B) greater than or = -18) galaxies with extensive recent or ongoing centrally concentrated star formation. We report the first results of this search in the present paper. Observations of the ionized gas in dwarf amorphous galaxies with centrally concentrated populations of massive stars provide evidence for the large-scale expansion of their expansion of their ionized interstellar media. Fabry-Perot H alpha images reveal the presence of kiloparsec-scale 'superbubbles' and filaments which tend to be oriented along the galaxy minor axis. These structures are comparable in size to the chracteristic optical sizes of the galaxies, and dominate the morphology of the galaxies at low surface brightness in H alpha. Since expanding structure of this size and velocity are not observed in all low-mass galaxies with recent or ongoing star formation, we suggest that we are witnessing transient events that likely have a relatively low 'duty cycle' in such galaxies. That is, we argue that the particular galaxies in the present paper have had significantly elevated star formation rates over the past 10(exp 7)-10(exp 8) yr (i.e., these are starburst or young poststarburst systems). This interpretation is consistent with the optical colors and emission-line properties of these galaxies.

Macromolecular powder diffraction : structure solution via molecular.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doebbler, J.; Von Dreele, R.; X-Ray Science Division

Macromolecular powder diffraction is a burgeoning technique for protein structure solution - ideally suited for cases where no suitable single crystals are available. Over the past seven years, pioneering work by Von Dreele et al. [1,2] and Margiolaki et al. [3,4] has demonstrated the viability of this approach for several protein structures. Among these initial powder studies, molecular replacement solutions of insulin and turkey lysozyme into alternate space groups were accomplished. Pressing the technique further, Margiolaki et al. [5] executed the first molecular replacement of an unknown protein structure: the SH3 domain of ponsin, using data from a multianalyzer diffractometer.more » To demonstrate that cross-species molecular replacement using image plate data is also possible, we present the solution of hen egg white lysozyme using the 60% identical human lysozyme (PDB code: 1LZ1) as the search model. Due to the high incidence of overlaps in powder patterns, especially in more complex structures, we have used extracted intensities from five data sets taken at different salt concentrations in a multi-pattern Pawley refinement. The use of image plates severely increases the overlap problem due to lower detector resolution, but radiation damage effects are minimized with shorter exposure times and the fact that the entire pattern is obtained in a single exposure. This image plate solution establishes the robustness of powder molecular replacement resulting from different data collection techniques.« less

Lots of Small Stars Born in Starburst Region

NASA Astrophysics Data System (ADS)

1999-10-01

Decisive Study of NGC 3603 with the VLT and ISAAC An international group of astronomers [1] has used the ESO Very Large Telescope (VLT) at Paranal (Chile) to perform unique observations of an interstellar nebula in which stars are currently being born. Thanks to the excellent imaging properties of the first of the four 8.2-m VLT Unit Telescopes, ANTU, they were able to demonstrate, for the first time, the presence of large numbers of small and relatively light, new-born stars in NGC 3603, a well-known "starburst" region in the Milky Way Galaxy . Until now, it has only been possible to observe brighter and much heavier stars in such nebulae. The new observations show that stars of all masses are being born together in the same starburst event, a fundamental result for our understanding of the very complex process of star formation. Background of the project The present research programme was granted observing time with VLT ANTU in April 1999. Its general aim is to investigate collective, massive star formation, in particular the coalescence of high- and low-mass stars in the violent environments of starburst regions . These are areas in which the processes that lead to the birth of new stars are particularly active just now. Several fundamental questions arise in this context. A very basic one is whether low-mass stars form at all in such environments. And if so, do they form together with the most massive stars in a starburst event or do they form at different times, before or after or perhaps on different timescales? Are low-mass stars born with any "preferred" mass that may possibly give further clues to the ongoing processes? All of this is most important in order to understand the detailed mechanisms of star formation. Most current theoretical scenarios explain how single stars form in an isolated, contracting gas cloud, but most stars in the Universe did not form in that simple way. Once some massive stars have formed in some place and start to shine, they

THE ANATOMY OF AN EXTREME STARBURST WITHIN 1.3 Gyr OF THE BIG BANG REVEALED BY ALMA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carilli, C. L.; Riechers, D.; Walter, F.

We present further analysis of the [C II] 158 {mu}m fine structure line and thermal dust continuum emission from the archetype extreme starburst/active galactic nucleus (AGN) group of galaxies in the early universe, BRI 1202-0725 at z = 4.7, using the Atacama Large Millimeter Array. The group has long been noted for having a closely separated (26 kpc in projection) FIR-hyperluminous quasar host galaxy and an optically obscured submillimeter galaxy (SMG). A short ALMA test observation reveals a rich laboratory for the study of the myriad processes involved in clustered massive galaxy formation in the early universe. Strong [C II]more » emission from the SMG and the quasar have been reported earlier by Wagg et al. based on these observations. In this paper, we examine in more detail the imaging results from the ALMA observations, including velocity channel images, position-velocity plots, and line moment images. We present detections of [C II] emission from two Ly{alpha}-selected galaxies in the group, demonstrating the relative ease with which ALMA can detect the [C II] emission from lower star formation rate galaxies at high redshift. Imaging of the [C II] emission shows a clear velocity gradient across the SMG, possibly indicating rotation or a more complex dynamical system on a scale {approx}10 kpc. There is evidence in the quasar spectrum and images for a possible outflow toward the southwest, as well as more extended emission (a {sup b}ridge{sup )}, between the quasar and the SMG, although the latter could simply be emission from Ly{alpha}-1 blending with that of the quasar at the limited spatial resolution of the current observations. These results provide an unprecedented view of a major merger of gas-rich galaxies driving extreme starbursts and AGN accretion during the formation of massive galaxies and supermassive black holes within 1.3 Gyr of the big bang.« less

The Starburst-AGN connection: quenching the fire and feeding the monster

NASA Astrophysics Data System (ADS)

Melnick, Jorge; Telles, Eduardo; De Propris, Roberto; Chu, Zhang-Hu

2015-10-01

The merger of two spiral galaxies is believed to be one of the main channels for the production of elliptical and early-type galaxies. In the process, the system becomes an (ultra) luminous infrared galaxy, or (U)LIRG, that morphs to a quasar, to a K+A galaxy, and finally to an early-type galaxy. The time scales for this metamorphosis are only loosely constrained by observations. In particular, the K+A phase should follow immediately after the quasi stellar object (QSO) phase during which the dust and gas remaining from the (U)LIRG phase are expelled by the active galactic nucleus (AGN). An intermediate class of QSOs with K+A spectral signatures, the post-starburst QSOs (PSQ), may represent the transitional phase between QSOs and K+As. We have compiled a sample of 72 bona fide z < 0.5 PSQ from the SDSS DR7 QSO catalogue. We find the intermediate age populations in this sample to be on average significantly weaker and metal poorer than their putative descendants, the K+A galaxies. The typical spectral energy distribution of PSQ is well fitted by three components: starlight; an obscured power-law; and a hot dust component required to reproduce the mid-IR fluxes. From the slope and bolometric luminosity of the power-law component we estimate typical masses and accretion rates of the AGN, but we find little evidence of powerful radio-loud or strong X-ray emitters in our sample. This may indicate that the power-law component originates in a nuclear starburst rather than in an AGN, as expected if the bulk of their young stars are still being formed, or that the AGN is still heavily enshrouded in dust and gas. We find that both alternatives are problematic and that more and better optical, X-ray, and mm-wave observations are needed to elucidate the evolutionary history of PSQ.

Molecular structure of dextran sulphate sodium in aqueous environment

NASA Astrophysics Data System (ADS)

Yu, Miao; Every, Hayley A.; Jiskoot, Wim; Witkamp, Geert-Jan; Buijs, Wim

2018-03-01

Here we propose a 3D-molecular structural model for dextran sulphate sodium (DSS) in a neutral aqueous environment based on the results of a molecular modelling study. The DSS structure is dominated by the stereochemistry of the 1,6-linked α-glucose units and the presence of two sulphate groups on each α-glucose unit. The structure of DSS can be best described as a helix with various patterns of di-sulphate substitution on the glucose rings. The presence of a side chain does not alter the 3D-structure of the linear main chain much, but affects the overall spatial dimension of the polymer. The simulated polymers have a diameter similar to or in some cases even larger than model α-hemolysin nano-pores for macromolecule transport in many biological processes, indicating a size-limited translocation through such pores. All results of the molecular modelling study are in line with previously reported experimental data. This study establishes the three-dimensional structure of DSS and summarizes the spatial dimension of the polymer, serving as the basis for a better understanding on the molecular level of DSS-involved electrostatic interaction processes with biological components like proteins and cell pores.

The Taxonomy of Blue Amorphous Galaxies. II. Structure and Evolution

NASA Astrophysics Data System (ADS)

Marlowe, Amanda T.; Meurer, Gerhardt R.; Heckman, Timothy M.

1999-09-01

Dwarf galaxies play an important role in our understanding of galaxy formation and evolution, and starbursts are believed to affect the structure and evolution of dwarf galaxies strongly. We have therefore embarked on a systematic study of 12 of the nearest dwarf galaxies thought to be undergoing bursts of star formation. These were selected primarily by their morphological type (blue ``amorphous'' galaxies). We show that these blue amorphous galaxies are not physically distinguishable from dwarfs selected as starbursting by other methods, such as blue compact dwarfs (BCDs) and H II galaxies. All these classes exhibit surface brightness profiles that are exponential in the outer regions (r>~1.5re) but often have a predominantly central blue excess, suggesting a young burst in an older, redder galaxy. Typically, the starbursting ``cores'' are young (~107-108 yr) events compared to the older (~109-1010 yr) underlying galaxy (the ``envelope''). The ratio of the core to envelope in blue light ranges from essentially zero to about 2. These starbursts are therefore modest events involving only a few percent of the stellar mass. The envelopes have surface brightnesses that are much higher than typical dwarf irregular (dI) galaxies, so it is unlikely that there is a straightforward evolutionary relation between typical dIs and dwarf starburst galaxies. Instead we suggest that amorphous galaxies may repeatedly cycle through starburst and quiescent phases, corresponding to the galaxies with strong and weak/absent cores, respectively. Once amorphous galaxies use up the available gas (either through star formation or galactic winds) so that star formation is shut off, the faded remnants would strongly resemble dwarf elliptical galaxies. However, in the current cosmological epoch, this is evidently a slow process that is the aftermath of a series of many weak, recurring bursts. Present-day dE's must have experienced more rapid and intense evolution than this in the distant past.

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.

Structured water in polyelectrolyte dendrimers: Understanding small angle neutron scattering results through atomistic simulation

NASA Astrophysics Data System (ADS)

Wu, Bin; Kerkeni, Boutheïna; Egami, Takeshi; Do, Changwoo; Liu, Yun; Wang, Yongmei; Porcar, Lionel; Hong, Kunlun; Smith, Sean C.; Liu, Emily L.; Smith, Gregory S.; Chen, Wei-Ren

2012-04-01

Based on atomistic molecular dynamics (MD) simulations, the small angle neutron scattering (SANS) intensity behavior of a single generation-4 polyelectrolyte polyamidoamine starburst dendrimer is investigated at different levels of molecular protonation. The SANS form factor, P(Q), and Debye autocorrelation function, γ(r), are calculated from the equilibrium MD trajectory based on a mathematical approach proposed in this work. The consistency found in comparison against previously published experimental findings (W.-R. Chen, L. Porcar, Y. Liu, P. D. Butler, and L. J. Magid, Macromolecules 40, 5887 (2007)) leads to a link between the neutron scattering experiment and MD computation, and fresh perspectives. The simulations enable scattering calculations of not only the hydrocarbons but also the contribution from the scattering length density fluctuations caused by structured, confined water within the dendrimer. Based on our computational results, we explore the validity of using radius of gyration RG for microstructure characterization of a polyelectrolyte dendrimer from the scattering perspective.

Using vibrational molecular spectroscopy to reveal association of steam-flaking induced carbohydrates molecular structural changes with grain fractionation, biodigestion and biodegradation

NASA Astrophysics Data System (ADS)

Xu, Ningning; Liu, Jianxin; Yu, Peiqiang

2018-04-01

Advanced vibrational molecular spectroscopy has been developed as a rapid and non-destructive tool to reveal intrinsic molecular structure conformation of biological tissues. However, this technique has not been used to systematically study flaking induced structure changes at a molecular level. The objective of this study was to use vibrational molecular spectroscopy to reveal association between steam flaking induced CHO molecular structural changes in relation to grain CHO fractionation, predicted CHO biodegradation and biodigestion in ruminant system. The Attenuate Total Reflectance Fourier-transform Vibrational Molecular Spectroscopy (ATR-Ft/VMS) at SRP Key Lab of Molecular Structure and Molecular Nutrition, Ministry of Agriculture Strategic Research Chair Program (SRP, University of Saskatchewan) was applied in this study. The fractionation, predicted biodegradation and biodigestion were evaluated using the Cornell Net Carbohydrate Protein System. The results show that: (1) The steam flaking induced significant changes in CHO subfractions, CHO biodegradation and biodigestion in ruminant system. There were significant differences between non-processed (raw) and steam flaked grain corn (P < .01); (2) The ATR-Ft/VMS molecular technique was able to detect the processing induced CHO molecular structure changes; (3) Induced CHO molecular structure spectral features are significantly correlated (P < .05) to CHO subfractions, CHO biodegradation and biodigestion and could be applied to potentially predict CHO biodegradation (R2 = 0.87, RSD = 0.74, P < .01) and intestinal digestible undegraded CHO (R2 = 0.87, RSD = 0.24, P < .01). In summary, the processing induced molecular CHO structure changes in grain corn could be revealed by the ATR-Ft/VMS vibrational molecular spectroscopy. These molecular structure changes in grain were potentially associated with CHO biodegradation and biodigestion.

Spectral Analysis and Interpretation of the γ-Ray Emission from the Starburst Galaxy NGC 253

NASA Astrophysics Data System (ADS)

Abramowski, A.; Acero, F.; Aharonian, F.; Akhperjanian, A. G.; Anton, G.; Balzer, A.; Barnacka, A.; Becherini, Y.; Becker, J.; Bernlöhr, K.; Birsin, E.; Biteau, J.; Bochow, A.; Boisson, C.; Bolmont, J.; Bordas, P.; Brucker, J.; Brun, F.; Brun, P.; Bulik, T.; Büsching, I.; Carrigan, S.; Casanova, S.; Cerruti, M.; Chadwick, P. M.; Charbonnier, A.; Chaves, R. C. G.; Cheesebrough, A.; Cologna, G.; Conrad, J.; Couturier, C.; Dalton, M.; Daniel, M. K.; Davids, I. D.; Degrange, B.; Deil, C.; Dickinson, H. J.; Djannati-Ataï, A.; Domainko, W.; Drury, L. O'C.; Dubus, G.; Dutson, K.; Dyks, J.; Dyrda, M.; Egberts, K.; Eger, P.; Espigat, P.; Fallon, L.; Fegan, S.; Feinstein, F.; Fernandes, M. V.; Fiasson, A.; Fontaine, G.; Förster, A.; Füßling, M.; Gajdus, M.; Gallant, Y. A.; Garrigoux, T.; Gast, H.; Gérard, L.; Giebels, B.; Glicenstein, J. F.; Glück, B.; Göring, D.; Grondin, M.-H.; Häffner, S.; Hague, J. D.; Hahn, J.; Hampf, D.; Harris, J.; Hauser, M.; Heinz, S.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hillert, A.; Hinton, J. A.; Hofmann, W.; Hofverberg, P.; Holler, M.; Horns, D.; Jacholkowska, A.; Jahn, C.; Jamrozy, M.; Jung, I.; Kastendieck, M. A.; Katarzyński, K.; Katz, U.; Kaufmann, S.; Khélifi, B.; Klochkov, D.; Kluźniak, W.; Kneiske, T.; Komin, Nu.; Kosack, K.; Kossakowski, R.; Krayzel, F.; Laffon, H.; Lamanna, G.; Lenain, J.-P.; Lennarz, D.; Lohse, T.; Lopatin, A.; Lu, C.-C.; Marandon, V.; Marcowith, A.; Masbou, J.; Maurin, G.; Maxted, N.; Mayer, M.; McComb, T. J. L.; Medina, M. C.; Méhault, J.; Moderski, R.; Mohamed, M.; Moulin, E.; Naumann, C. L.; Naumann-Godo, M.; de Naurois, M.; Nedbal, D.; Nekrassov, D.; Nguyen, N.; Nicholas, B.; Niemiec, J.; Nolan, S. J.; Ohm, S.; de Oña Wilhelmi, E.; Opitz, B.; Ostrowski, M.; Oya, I.; Panter, M.; Paz Arribas, M.; Pekeur, N. W.; Pelletier, G.; Perez, J.; Petrucci, P.-O.; Peyaud, B.; Pita, S.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raue, M.; Reimer, A.; Reimer, O.; Renaud, M.; de los Reyes, R.; Rieger, F.; Ripken, J.; Rob, L.; Rosier-Lees, S.; Rowell, G.; Rudak, B.; Rulten, C. B.; Sahakian, V.; Sanchez, D. A.; Santangelo, A.; Schlickeiser, R.; Schulz, A.; Schwanke, U.; Schwarzburg, S.; Schwemmer, S.; Sheidaei, F.; Skilton, J. L.; Sol, H.; Spengler, G.; Stawarz, Ł.; Steenkamp, R.; Stegmann, C.; Stinzing, F.; Stycz, K.; Sushch, I.; Szostek, A.; Tavernet, J.-P.; Terrier, R.; Tluczykont, M.; Valerius, K.; van Eldik, C.; Vasileiadis, G.; Venter, C.; Viana, A.; Vincent, P.; Völk, H. J.; Volpe, F.; Vorobiov, S.; Vorster, M.; Wagner, S. J.; Ward, M.; White, R.; Wierzcholska, A.; Zacharias, M.; Zajczyk, A.; Zdziarski, A. A.; Zech, A.; Zechlin, H.-S.; H. E. S. S. Collaboration

2012-10-01

Very high energy (VHE; E >= 100 GeV) and high-energy (HE; 100 MeV <= E <= 100 GeV) data from γ-ray observations performed with the H.E.S.S. telescope array and the Fermi-LAT instrument, respectively, are analyzed in order to investigate the non-thermal processes in the starburst galaxy NGC 253. The VHE γ-ray data can be described by a power law in energy with differential photon index Γ = 2.14 ± 0.18stat ± 0.30sys and differential flux normalization at 1 TeV of F 0 = (9.6 ± 1.5stat(+ 5.7, -2.9)sys) × 10-14 TeV-1 cm-2 s-1. A power-law fit to the differential HE γ-ray spectrum reveals a photon index of Γ = 2.24 ± 0.14stat ± 0.03sys and an integral flux between 200 MeV and 200 GeV of F(0.2-200 GeV) = (4.9 ± 1.0stat ± 0.3sys) × 10-9 cm-2 s-1. No evidence for a spectral break or turnover is found over the dynamic range of both the LAT instrument and the H.E.S.S. experiment: a combined fit of a power law to the HE and VHE γ-ray data results in a differential photon index Γ = 2.34 ± 0.03 with a p-value of 30%. The γ-ray observations indicate that at least about 20% of the energy of the cosmic rays (CRs) capable of producing hadronic interactions is channeled into pion production. The smooth alignment between the spectra in the HE and VHE γ-ray domain suggests that the same transport processes dominate in the entire energy range. Advection is most likely responsible for charged particle removal from the starburst nucleus from GeV to multiple TeV energies. In a hadronic scenario for the γ-ray production, the single overall power-law spectrum observed would therefore correspond to the mean energy spectrum produced by the ensemble of CR sources in the starburst region. We dedicate this paper to the memory of our colleague Dalibor Nedbal, who died on 2012 May 15 at the age of 31. Dalibor was universally liked and respected as a scientist and colleague and will be greatly missed.

Bio-functions and molecular carbohydrate structure association study in forage with different source origins revealed using non-destructive vibrational molecular spectroscopy techniques

NASA Astrophysics Data System (ADS)

Ji, Cuiying; Zhang, Xuewei; Yan, Xiaogang; Mostafizar Rahman, M.; Prates, Luciana L.; Yu, Peiqiang

2017-08-01

The objectives of this study were to: 1) investigate forage carbohydrate molecular structure profiles; 2) bio-functions in terms of CHO rumen degradation characteristics and hourly effective degradation ratio of N to OM (HEDN/OM), and 3) quantify interactive association between molecular structures, bio-functions and nutrient availability. The vibrational molecular spectroscopy was applied to investigate the structure feature on a molecular basis. Two sourced-origin alfalfa forages were used as modeled forages. The results showed that the carbohydrate molecular structure profiles were highly linked to the bio-functions in terms of rumen degradation characteristics and hourly effective degradation ratio. The molecular spectroscopic technique can be used to detect forage carbohydrate structure features on a molecular basis and can be used to study interactive association between forage molecular structure and bio-functions.

Nanohashtag structures based on carbon nanotubes and molecular linkers

NASA Astrophysics Data System (ADS)

Frye, Connor W.; Rybolt, Thomas R.

2018-03-01

Molecular mechanics was used to study the noncovalent interactions between single-walled carbon nanotubes and molecular linkers. Groups of nanotubes have the tendency to form tight, parallel bundles (||||). Molecular linkers were introduced into our models to stabilize nanostructures with carbon nanotubes held in perpendicular orientations. Molecular mechanics makes it possible to estimate the strength of noncovalent interactions holding these structures together and to calculate the overall binding energy of the structures. A set of linkers were designed and built around a 1,3,5,7-cyclooctatetraene tether with two corannulene containing pincers that extend in opposite directions from the central cyclooctatetraene portion. Each pincer consists of a pairs of "arms." These molecular linkers were modified so that the "hand" portions of each pair of "arms" could close together to grab and hold two carbon nanotubes in a perpendicular arrangement. To illustrate the possibility of more complicated and open perpendicular CNTs structures, our primary goal was to create a model of a nanohashtag (#) CNT conformation that is more stable than any parallel CNT arrangements with bound linker molecules forming clumps of CNTs and linkers in non-hashtag arrangements. This goal was achieved using a molecular linker (C280H96) that utilizes van der Waals interactions to two perpendicular oriented CNTs. Hydrogen bonding was then added between linker molecules to augment the stability of the hashtag structure. In the hashtag structure with hydrogen bonding, four (5,5) CNTs of length 4.46 nm (18 rings) and four linkers (C276H92N8O8) stabilized the hashtag so that the average binding energy per pincer was 118 kcal/mol.

An Overdensity of Massive, Dusty Starbursts Associated with the High-Redshift Radio Galaxy MRC1138-262 at z = 2.16

NASA Astrophysics Data System (ADS)

Altieri, Bruno; Dannerbauer, Helmut

We present Herschel and APEX LABOCA 870 μm imaging of the field of the high-redshift radio galaxy MRC1138 at z = 2.16. We detect 16 submillimeter galaxies in this ˜140 arcmin2 large bolometer map, with flux densities in the range 3-11 mJy. The pure number counts indicate an overdensity of SMGs by a factor of five compared to blank field surveys. Based on an exquisite multi-wavelength database including VLA 1.4 GHz radio and infrared observations, we verifiy whether these sources are members of the proto-cluster structure at z = 2.2 or not. Based on Herschel PACS+ SPIRE and Spitzer MIPS photometry, we derived reliable far-infrared photometric redshifts for all of our sources. VLT-ISAAC near-infrared spectroscopic observations confirmed redshifts of z ≈ 2.2 for four of these SMGs. We conclude that in total at least seven sources are part of this proto-cluster at z = 2.16. We measure a star formation rate density S FRD ˜ 1500 M⊙ yr-1 Mpc-3, four magntiudes higher compared to the global SFRD at this redshift. Striklingly, these seven sources are concentrated within a region of 2 Mpc (the typical size of clusters in the local universe) and are not distributed in the filaments as predicted by theories and traced by the Hα emitters at z ≈ 2.2. This concentration of massive, dusty starbursts is not centered on the radio galaxy which is submm bright. A significant fraction, six out of 11 SMGs with z ≈ 2.2 Hα imaging coverage are associated with Hα emitters, demonstrating the potential of tracing SMG counterparts with this source population. Our results demonstrate that indeed submm observations enable us to reveal clusters of massive, dusty starbursts and will pave the road for systematic and detailed investigations with this technique in the future.

Probing individual star-forming regions in maximal starburst galaxiesat redshifts z=2-4 with the SMA (and other major facilities): Planck's Dusty GEMS.

NASA Astrophysics Data System (ADS)

Nesvadba, Nicole

2018-01-01

Strongly gravitationally lensed galaxies are veritable gems for our understanding of high-redshift galaxy evolution, allowing us to study dust, gas, and star formation even in the most intense starbursts on scales of individual star-forming regions. On these scales, below one to few 100 pc in the source plane, kpc-scale rotational support no longer dominates, and star formation is regulated by the local gas and stellar mass surface densities and energy injection from turbulence and winds driven by star formation and AGN. I will report on our on-going follow-up of Planck's Dusty GEMS, a small sample of 11 of the brightest, gravitationally lensed high-redshift galaxies on the extragalactic sub-mm sky. SMA 850-micron imaging is playing a critical role in identifying and characterizing the dusty starburst regions, their star-formation properties, and the gravitational lens modeling, and has been paving the way towards a rich multi-wavelength program, which would not have been possible without. This includes VLT, HST and ALMA high-resolution studies of the gas and stellar populations, amongst others. These observations enabled us, e.g., to study theinterplay between gravity and turbulence in an Eddington-limited starburst for the first time, and to detect the first absorption line of [CII] from diffuse gas outside the Milky Way. I will also discussthe first direct lensing estimate of a (bottom-heavy) initial mass function in the early Universe and outline how these and similar observations would benefit from increased bandwidth.

3D visualization of molecular structures in the MOGADOC database

NASA Astrophysics Data System (ADS)

Vogt, Natalja; Popov, Evgeny; Rudert, Rainer; Kramer, Rüdiger; Vogt, Jürgen

2010-08-01

The MOGADOC database (Molecular Gas-Phase Documentation) is a powerful tool to retrieve information about compounds which have been studied in the gas-phase by electron diffraction, microwave spectroscopy and molecular radio astronomy. Presently the database contains over 34,500 bibliographic references (from the beginning of each method) for about 10,000 inorganic, organic and organometallic compounds and structural data (bond lengths, bond angles, dihedral angles, etc.) for about 7800 compounds. Most of the implemented molecular structures are given in a three-dimensional (3D) presentation. To create or edit and visualize the 3D images of molecules, new tools (special editor and Java-based 3D applet) were developed. Molecular structures in internal coordinates were converted to those in Cartesian coordinates.

THE KILOPARSEC-SCALE STAR FORMATION LAW AT REDSHIFT 4: WIDESPREAD, HIGHLY EFFICIENT STAR FORMATION IN THE DUST-OBSCURED STARBURST GALAXY GN20

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hodge, J. A.; Riechers, D.; Decarli, R.

2015-01-01

We present high-resolution observations of the 880 μm (rest-frame FIR) continuum emission in the z = 4.05 submillimeter galaxy GN20 from the IRAM Plateau de Bure Interferometer (PdBI). These data resolve the obscured star formation (SF) in this unlensed galaxy on scales of 0.''3 × 0.''2 (∼2.1 × 1.3 kpc). The observations reveal a bright (16 ± 1 mJy) dusty starburst centered on the cold molecular gas reservoir and showing a bar-like extension along the major axis. The striking anti-correlation with the Hubble Space Telescope/Wide Field Camera 3 imaging suggests that the copious dust surrounding the starburst heavily obscures the rest-frame UV/optical emission. A comparison with 1.2 mm PdBI continuummore » data reveals no evidence for variations in the dust properties across the source within the uncertainties, consistent with extended SF, and the peak star formation rate surface density (119 ± 8 M {sub ☉} yr{sup –1} kpc{sup –2}) implies that the SF in GN20 remains sub-Eddington on scales down to 3 kpc{sup 2}. We find that the SF efficiency (SFE) is highest in the central regions of GN20, leading to a resolved SF law with a power-law slope of Σ{sub SFR} ∼ Σ{sub H{sub 2}{sup 2.1±1.0}}, and that GN20 lies above the sequence of normal star-forming disks, implying that the dispersion in the SF law is not due solely to morphology or choice of conversion factor. These data extend previous evidence for a fixed SFE per free-fall time to include the star-forming medium on ∼kiloparsec scales in a galaxy 12 Gyr ago.« less

A role for TREK1 in generating the slow afterhyperpolarization in developing starburst amacrine cells.

PubMed

Ford, Kevin J; Arroyo, David A; Kay, Jeremy N; Lloyd, Eric E; Bryan, Robert M; Sanes, Joshua R; Feller, Marla B

2013-05-01

Slow afterhyperpolarizations (sAHPs) play an important role in establishing the firing pattern of neurons that in turn influence network activity. sAHPs are mediated by calcium-activated potassium channels. However, the molecular identity of these channels and the mechanism linking calcium entry to their activation are still unknown. Here we present several lines of evidence suggesting that the sAHPs in developing starburst amacrine cells (SACs) are mediated by two-pore potassium channels. First, we use whole cell and perforated patch voltage clamp recordings to characterize the sAHP conductance under different pharmacological conditions. We find that this conductance was calcium dependent, reversed at EK, blocked by barium, insensitive to apamin and TEA, and activated by arachidonic acid. In addition, pharmacological inhibition of calcium-activated phosphodiesterase reduced the sAHP. Second, we performed gene profiling on isolated SACs and found that they showed strong preferential expression of the two-pore channel gene kcnk2 that encodes TREK1. Third, we demonstrated that TREK1 knockout animals exhibited an altered frequency of retinal waves, a frequency that is set by the sAHPs in SACs. With these results, we propose a model in which depolarization-induced decreases in cAMP lead to disinhibition of the two-pore potassium channels and in which the kinetics of this biochemical pathway dictate the slow activation and deactivation of the sAHP conductance. Our model offers a novel pathway for the activation of a conductance that is physiologically important.

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.

Marine Biotoxins: Laboratory Culture and Molecular Structure

DTIC Science & Technology

1991-01-21

structure has been known for several years, has so far been isolated from toxic zoanthid corals, Palythoa spp. Preliminary evidence suggests that the...The molecular structure of palytoxin is known,8 but the suggestion 9 that the toxin is biosynthesized by an epiphyte of the zoanthid coaral has not

Lunar surface structural concepts and construction studies

NASA Technical Reports Server (NTRS)

Mikulas, Martin

1991-01-01

The topics are presented in viewgraph form and include the following: lunar surface structures construction research areas; lunar crane related disciplines; shortcomings of typical mobile crane in lunar base applications; candidate crane cable suspension systems; NIST six-cable suspension crane; numerical example of natural frequency; the incorporation of two new features for improved performance of the counter-balanced actively-controlled lunar crane; lunar crane pendulum mechanics; simulation results; 1/6 scale lunar crane testbed using GE robot for global manipulation; basic deployable truss approaches; bi-pantograph elevator platform; comparison of elevator platforms; perspective of bi-pantograph beam; bi-pantograph synchronously deployable tower/beam; lunar module off-loading concept; module off-loader concept packaged; starburst deployable precision reflector; 3-ring reflector deployment scheme; cross-section of packaged starburst reflector; and focal point and thickness packaging considerations.

Superwind evolution: the young starburst-driven wind galaxy NGC 2782

NASA Astrophysics Data System (ADS)

Bravo-Guerrero, Jimena; Stevens, Ian R.

2017-06-01

We present results from a 30-ks Chandra observation of the important starburst galaxy NGC 2782, covering the 0.3-10 keV energy band. We find evidence of a superwind of small extent, which is likely in an early stage of development. We find a total of 27 X-ray point sources within a region of radius 2D25 of the galaxy centre and that are likely associated with the galaxy. Of these, 13 are ultraluminous X-ray point sources (ULXs; LX ≥ 1039 erg s- 1) and a number have likely counterparts. The X-ray luminosities of the ULX candidates are 1.2-3.9 × 1039 erg s- 1. NGC 2782 seems to have an unusually large number of ULXs. Central diffuse X-ray emission extending to ˜3 kpc from the nuclear region has been detected. We also find an X-ray structure to the south of the nucleus, coincident with Hα filaments and with a 5-GHz radio source. We interpret this as a blow-out region of a forming superwind. This X-ray bubble has a total luminosity (0.3-10 keV) of 5 × 1039 erg s-1 (around 15 per cent of the total luminosity of the extended emission), and an inferred wind mass of 1.5 × 106 M⊙ . We also discuss the nature of the central X-ray source in NGC 2782, and conclude that it is likely a low-luminosity active galactic nucleus, with a total X-ray luminosity of LX = 6 × 1040 erg s-1, with strong Fe line emission at 6.4 keV.

ALMA imaging of gas and dust in a galaxy protocluster at redshift 5.3: [C II] emission in 'typical' galaxies and dusty starbursts ≈1 billion years after the big bang

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riechers, Dominik A.; Carilli, Christopher L.; Capak, Peter L.

2014-12-01

We report interferometric imaging of [C II]({sup 2} P {sub 3/2}→{sup 2} P {sub 1/2}) and OH({sup 2}Π{sub 1/2} J = 3/2→1/2) emission toward the center of the galaxy protocluster associated with the z = 5.3 submillimeter galaxy (SMG) AzTEC-3, using the Atacama Large (sub)Millimeter Array (ALMA). We detect strong [C II], OH, and rest-frame 157.7 μm continuum emission toward the SMG. The [C II]({sup 2} P {sub 3/2}→{sup 2} P {sub 1/2}) emission is distributed over a scale of 3.9 kpc, implying a dynamical mass of 9.7 × 10{sup 10} M {sub ☉}, and a star formation rate (SFR)more » surface density of Σ{sub SFR} = 530 M {sub ☉} yr{sup –1} kpc{sup –2}. This suggests that AzTEC-3 forms stars at Σ{sub SFR} approaching the Eddington limit for radiation pressure supported disks. We find that the OH emission is slightly blueshifted relative to the [C II] line, which may indicate a molecular outflow associated with the peak phase of the starburst. We also detect and dynamically resolve [C II]({sup 2} P {sub 3/2}→{sup 2} P {sub 1/2}) emission over a scale of 7.5 kpc toward a triplet of Lyman-break galaxies with moderate UV-based SFRs in the protocluster at ∼95 kpc projected distance from the SMG. These galaxies are not detected in the continuum, suggesting far-infrared SFRs of <18-54 M {sub ☉} yr{sup –1}, consistent with a UV-based estimate of 22 M {sub ☉} yr{sup –1}. The spectral energy distribution of these galaxies is inconsistent with nearby spiral and starburst galaxies, but resembles those of dwarf galaxies. This is consistent with expectations for young starbursts without significant older stellar populations. This suggests that these galaxies are significantly metal-enriched, but not heavily dust-obscured, 'normal' star-forming galaxies at z > 5, showing that ALMA can detect the interstellar medium in 'typical' galaxies in the very early universe.« less

Tracing Evolution of Starbursts and AGNs using Ultra-deep Radio and mm/smm Surveys

NASA Astrophysics Data System (ADS)

Yun, Min S.; Gim, Hansung; Morrison, Glenn; Hales, Christopher A.; Momjian, Emmanuel; Owen, Frazer; Kellermann, Ken; Aretxaga, Itziar; Giavalisco, Mauro; Hughes, David; Lowenthal, James; Miller, Neal; Kawabe, Ryohei; Kohno, Kotaro

2015-08-01

There is growing evidence supporting a rapid build up of metals among massive galaxies during their rapid growth via an intense starburst in the early epochs. These star formation activities may be largely obscured in the UV and optical light, as in the local universe. If the growth of supermassive blackholes occurs at or nearly the same time, the accompanying AGN activity may also be heavily obscured. Ultra-deep surveys in the radio and far-infrared can offer extinction-free view of these systems, and the advent of new facilities such as the Jansky VLA, ALMA, and LMT now allows us to probe directly the population of starburst galaxies that are responsible for the bulk of the stellar mass build-up during the epoch of galaxy growth (SFR > 10-100 M⊙/yr at z≈2 or earlier). We will present our analysis of the properties of the micro-Jansky radio sources identified by new Jansky VLA surveys of the GOODS and COSMOS fields using the rich archival data already available (Herschel, Spitzer, Chandra, ALMA, LMT, etc.). Specifically, we find evidence for two populations of microJy radio sources with distinct spectral index distribution. We explore whether this reflects differences in the underlying powering mechanisms by examining their radio-FIR correlation and X-ray properties. We also find the previously reported apparent systematic change in the "q-value" with increasing redshift, and we examine the reality of this trend in some detail. Finally, we will also examine the spatial extent of activities for a subset of the sample where high angular resolution (better than 1") information is available.

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

Excitation of the molecular gas in the nuclear region of M 82

NASA Astrophysics Data System (ADS)

Loenen, A. F.; van der Werf, P. P.; Güsten, R.; Meijerink, R.; Israel, F. P.; Requena-Torres, M. A.; García-Burillo, S.; Harris, A. I.; Klein, T.; Kramer, C.; Lord, S.; Martín-Pintado, J.; Röllig, M.; Stutzki, J.; Szczerba, R.; Weiß, A.; Philipp-May, S.; Yorke, H.; Caux, E.; Delforge, B.; Helmich, F.; Lorenzani, A.; Morris, P.; Philips, T. G.; Risacher, C.; Tielens, A. G. G. M.

2010-10-01

We present high-resolution HIFI spectroscopy of the nucleus of the archetypical starburst galaxy M 82. Six 12CO lines, 2 13CO lines and 4 fine-structure lines have been detected. Besides showing the effects of the overall velocity structure of the nuclear region, the line profiles also indicate the presence of multiple components with different optical depths, temperatures, and densities in the observing beam. The data have been interpreted using a grid of PDR models. It is found that the majority of the molecular gas is in low density (n = 103.5 cm-3) clouds, with column densities of NH = 1021.5 cm-2 and a relatively low UV radiation field (G0 = 102). The remaining gas is predominantly found in clouds with higher densities (n = 105 cm-3) and radiation fields (G0 = 102.75), but somewhat lower column densities (NH = 1021.2 cm-2). The highest J CO lines are dominated by a small (1% relative surface filling) component, with an even higher density (n = 106 cm-3) and UV field (G0 = 103.25). These results show the strength of multi-component modelling for interpretating the integrated properties of galaxies.

Starburst to Quiescent from HST/ALMA: Stars and Dust Unveil Minor Mergers in Submillimeter Galaxies at z ∼ 4.5

NASA Astrophysics Data System (ADS)

Gómez-Guijarro, C.; Toft, S.; Karim, A.; Magnelli, B.; Magdis, G. E.; Jiménez-Andrade, E. F.; Capak, P. L.; Fraternali, F.; Fujimoto, S.; Riechers, D. A.; Schinnerer, E.; Smolčić, V.; Aravena, M.; Bertoldi, F.; Cortzen, I.; Hasinger, G.; Hu, E. M.; Jones, G. C.; Koekemoer, A. M.; Lee, N.; McCracken, H. J.; Michałowski, M. J.; Navarrete, F.; Pović, M.; Puglisi, A.; Romano-Díaz, E.; Sheth, K.; Silverman, J. D.; Staguhn, J.; Steinhardt, C. L.; Stockmann, M.; Tanaka, M.; Valentino, F.; van Kampen, E.; Zirm, A.

2018-04-01

Dust-enshrouded, starbursting, submillimeter galaxies (SMGs) at z ≥ 3 have been proposed as progenitors of z ≥ 2 compact quiescent galaxies (cQGs). To test this connection, we present a detailed spatially resolved study of the stars, dust, and stellar mass in a sample of six submillimeter-bright starburst galaxies at z ∼ 4.5. The stellar UV emission probed by HST is extended and irregular and shows evidence of multiple components. Informed by HST, we deblend Spitzer/IRAC data at rest-frame optical, finding that the systems are undergoing minor mergers with a typical stellar mass ratio of 1:6.5. The FIR dust continuum emission traced by ALMA locates the bulk of star formation in extremely compact regions (median r e = 0.70 ± 0.29 kpc), and it is in all cases associated with the most massive component of the mergers (median {log}({M}* /{M}ȯ )=10.49+/- 0.32). We compare spatially resolved UV slope (β) maps with the FIR dust continuum to study the infrared excess (IRX = L IR/L UV)–β relation. The SMGs display systematically higher IRX values than expected from the nominal trend, demonstrating that the FIR and UV emissions are spatially disconnected. Finally, we show that the SMGs fall on the mass–size plane at smaller stellar masses and sizes than the cQGs at z = 2. Taking into account the expected evolution in stellar mass and size between z = 4.5 and z = 2 due to the ongoing starburst and mergers with minor companions, this is in agreement with a direct evolutionary connection between the two populations.

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.

A Starburst in the Core of a Galaxy Cluster: the Dwarf Irregular NGC 1427A in Fornax

NASA Astrophysics Data System (ADS)

Mora, Marcelo D.; Chanamé, Julio; Puzia, Thomas H.

2015-09-01

Gas-rich galaxies in dense environments such as galaxy clusters and massive groups are affected by a number of possible types of interactions with the cluster environment, which make their evolution radically different than that of field galaxies. The dwarf irregular galaxy NGC 1427A, presently infalling toward the core of the Fornax galaxy cluster for the first time, offers a unique opportunity to study those processes at a level of detail not possible to achieve for galaxies at higher redshifts, when galaxy-scale interactions were more common. Using the spatial resolution of the Hubble Space Telescope/Advanced Camera for Surveys and auxiliary Very Large Telescope/FORS1 ground-based observations, we study the properties of the most recent episodes of star formation in this gas-rich galaxy, the only one of its type near the core of the Fornax cluster. We study the structural and photometric properties of young star cluster complexes in NGC 1427A, identifying 12 bright such complexes with exceptionally blue colors. The comparison of our broadband near-UV/optical photometry with simple stellar population models yields ages below ˜ 4× {10}6 years and stellar masses from a few 1000 up to ˜ 3× {10}4{M}⊙ , slightly dependent on the assumption of cluster metallicity and initial mass function. Their grouping is consistent with hierarchical and fractal star cluster formation. We use deep Hα imaging data to determine the current star formation rate in NGC 1427A and estimate the ratio, Γ, of star formation occurring in these star cluster complexes to that in the entire galaxy. We find Γ to be among the largest such values available in the literature, consistent with starburst galaxies. Thus a large fraction of the current star formation in NGC 1427A is occurring in star clusters, with the peculiar spatial arrangement of such complexes strongly hinting at the possibility that the starburst is being triggered by the passage of the galaxy through the cluster environment

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

Rosetta Structure Prediction as a Tool for Solving Difficult Molecular Replacement Problems.

PubMed

DiMaio, Frank

2017-01-01

Molecular replacement (MR), a method for solving the crystallographic phase problem using phases derived from a model of the target structure, has proven extremely valuable, accounting for the vast majority of structures solved by X-ray crystallography. However, when the resolution of data is low, or the starting model is very dissimilar to the target protein, solving structures via molecular replacement may be very challenging. In recent years, protein structure prediction methodology has emerged as a powerful tool in model building and model refinement for difficult molecular replacement problems. This chapter describes some of the tools available in Rosetta for model building and model refinement specifically geared toward difficult molecular replacement cases.

Visualization of molecular structures using HoloLens-based augmented reality

PubMed Central

Hoffman, MA; Provance, JB

2017-01-01

Biological molecules and biologically active small molecules are complex three dimensional structures. Current flat screen monitors are limited in their ability to convey the full three dimensional characteristics of these molecules. Augmented reality devices, including the Microsoft HoloLens, offer an immersive platform to change how we interact with molecular visualizations. We describe a process to incorporate the three dimensional structures of small molecules and complex proteins into the Microsoft HoloLens using aspirin and the human leukocyte antigen (HLA) as examples. Small molecular structures can be introduced into the HoloStudio application, which provides native support for rotating, resizing and performing other interactions with these molecules. Larger molecules can be imported through the Unity gaming development platform and then Microsoft Visual Developer. The processes described here can be modified to import a wide variety of molecular structures into augmented reality systems and improve our comprehension of complex structural features. PMID:28815109

Density functional study of molecular interactions in secondary structures of proteins.

PubMed

Takano, Yu; Kusaka, Ayumi; Nakamura, Haruki

2016-01-01

Proteins play diverse and vital roles in biology, which are dominated by their three-dimensional structures. The three-dimensional structure of a protein determines its functions and chemical properties. Protein secondary structures, including α-helices and β-sheets, are key components of the protein architecture. Molecular interactions, in particular hydrogen bonds, play significant roles in the formation of protein secondary structures. Precise and quantitative estimations of these interactions are required to understand the principles underlying the formation of three-dimensional protein structures. In the present study, we have investigated the molecular interactions in α-helices and β-sheets, using ab initio wave function-based methods, the Hartree-Fock method (HF) and the second-order Møller-Plesset perturbation theory (MP2), density functional theory, and molecular mechanics. The characteristic interactions essential for forming the secondary structures are discussed quantitatively.

Coarse-Grained Structural Modeling of Molecular Motors Using Multibody Dynamics

PubMed Central

Parker, David; Bryant, Zev; Delp, Scott L.

2010-01-01

Experimental and computational approaches are needed to uncover the mechanisms by which molecular motors convert chemical energy into mechanical work. In this article, we describe methods and software to generate structurally realistic models of molecular motor conformations compatible with experimental data from different sources. Coarse-grained models of molecular structures are constructed by combining groups of atoms into a system of rigid bodies connected by joints. Contacts between rigid bodies enforce excluded volume constraints, and spring potentials model system elasticity. This simplified representation allows the conformations of complex molecular motors to be simulated interactively, providing a tool for hypothesis building and quantitative comparisons between models and experiments. In an example calculation, we have used the software to construct atomically detailed models of the myosin V molecular motor bound to its actin track. The software is available at www.simtk.org. PMID:20428469

Deployable reflector structure

NASA Technical Reports Server (NTRS)

Mikulas, Martin, Jr. (Inventor); Hoberman, Charles (Inventor)

1993-01-01

A deployable reflector structure is presented. The structure has a number of movable reflector panels pivotably supported on rigid arms. Several such arms are pivotably connected to a central structure. The arm can move in starburst fashion from a packaged stage, where all arms are vertical, to a deployed stage, where all arms are horizontal. All of the movable reflector panels are maintained at a predetermined angle to an axis of the reflector structure when the arms are pivoted. The reflector panels are stacked tightly on top of each other in the packaged state of the reflector structure. Simple mechanisms are used for avoiding interference between panels on different arms in the packaged stage and for fitting the movable panels together like tiles in the deployed stage.

Modelling and enhanced molecular dynamics to steer structure-based drug discovery.

PubMed

Kalyaanamoorthy, Subha; Chen, Yi-Ping Phoebe

2014-05-01

The ever-increasing gap between the availabilities of the genome sequences and the crystal structures of proteins remains one of the significant challenges to the modern drug discovery efforts. The knowledge of structure-dynamics-functionalities of proteins is important in order to understand several key aspects of structure-based drug discovery, such as drug-protein interactions, drug binding and unbinding mechanisms and protein-protein interactions. This review presents a brief overview on the different state of the art computational approaches that are applied for protein structure modelling and molecular dynamics simulations of biological systems. We give an essence of how different enhanced sampling molecular dynamics approaches, together with regular molecular dynamics methods, assist in steering the structure based drug discovery processes. Copyright © 2013 Elsevier Ltd. All rights reserved.

Undergraduate chemistry students' conceptions of atomic structure, molecular structure and chemical bonding

NASA Astrophysics Data System (ADS)

Campbell, Erin Roberts

The process of chemical education should facilitate students' construction of meaningful conceptual structures about the concepts and processes of chemistry. It is evident, however, that students at all levels possess concepts that are inconsistent with currently accepted scientific views. The purpose of this study was to examine undergraduate chemistry students' conceptions of atomic structure, chemical bonding and molecular structure. A diagnostic instrument to evaluate students' conceptions of atomic and molecular structure was developed by the researcher. The instrument incorporated multiple-choice items and reasoned explanations based upon relevant literature and a categorical summarization of student responses (Treagust, 1988, 1995). A covalent bonding and molecular structure diagnostic instrument developed by Peterson and Treagust (1989) was also employed. The ex post facto portion of the study examined the conceptual understanding of undergraduate chemistry students using descriptive statistics to summarize the results obtained from the diagnostic instruments. In addition to the descriptive portion of the study, a total score for each student was calculated based on the combination of correct and incorrect choices made for each item. A comparison of scores obtained on the diagnostic instruments by the upper and lower classes of undergraduate students was made using a t-Test. This study also examined an axiomatic assumption that an understanding of atomic structure is important in understanding bonding and molecular structure. A Pearson Correlation Coefficient, ṟ, was calculated to provide a measure of the strength of this association. Additionally, this study gathered information regarding expectations of undergraduate chemistry students' understanding held by the chemical community. Two questionnaires were developed with items based upon the propositional knowledge statements used in the development of the diagnostic instruments. Subgroups of items from

A molecular engineering toolbox for the structural biologist.

PubMed

Debelouchina, Galia T; Muir, Tom W

2017-01-01

Exciting new technological developments have pushed the boundaries of structural biology, and have enabled studies of biological macromolecules and assemblies that would have been unthinkable not long ago. Yet, the enhanced capabilities of structural biologists to pry into the complex molecular world have also placed new demands on the abilities of protein engineers to reproduce this complexity into the test tube. With this challenge in mind, we review the contents of the modern molecular engineering toolbox that allow the manipulation of proteins in a site-specific and chemically well-defined fashion. Thus, we cover concepts related to the modification of cysteines and other natural amino acids, native chemical ligation, intein and sortase-based approaches, amber suppression, as well as chemical and enzymatic bio-conjugation strategies. We also describe how these tools can be used to aid methodology development in X-ray crystallography, nuclear magnetic resonance, cryo-electron microscopy and in the studies of dynamic interactions. It is our hope that this monograph will inspire structural biologists and protein engineers alike to apply these tools to novel systems, and to enhance and broaden their scope to meet the outstanding challenges in understanding the molecular basis of cellular processes and disease.

Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.

PubMed

Calhoun, Jennifer R; Liu, Weixia; Spiegel, Katrin; Dal Peraro, Matteo; Klein, Michael L; Valentine, Kathleen G; Wand, A Joshua; DeGrado, William F

2008-02-01

We report the solution NMR structure of a designed dimetal-binding protein, di-Zn(II) DFsc, along with a secondary refinement step employing molecular dynamics techniques. Calculation of the initial NMR structural ensemble by standard methods led to distortions in the metal-ligand geometries at the active site. Unrestrained molecular dynamics using a nonbonded force field for the metal shell, followed by quantum mechanical/molecular mechanical dynamics of DFsc, were used to relax local frustrations at the dimetal site that were apparent in the initial NMR structure and provide a more realistic description of the structure. The MD model is consistent with NMR restraints, and in good agreement with the structural and functional properties expected for DF proteins. This work demonstrates that NMR structures of metalloproteins can be further refined using classical and first-principles molecular dynamics methods in the presence of explicit solvent to provide otherwise unavailable insight into the geometry of the metal center.

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…

Isochoric structural recovery in molecular glasses and its analog in colloidal glasses

NASA Astrophysics Data System (ADS)

Banik, Sourya; McKenna, Gregory B.

2018-06-01

Concentrated colloidal dispersions have been regarded as models for molecular glasses. One of the many ways to compare the behavior in these two different systems is by comparing the structural recovery or the physical aging behavior. However, recent investigations from our group to examine structural recovery in thermosensitive colloidal dispersions have shown contrasting results between the colloidal and the molecular glasses. The differences in the behaviors of the two systems have led us to pose this question: Is structural recovery behavior in colloidal glasses truly distinct from that of molecular glasses or is the conventional experimental condition (isobaric temperature-jumps) in determining the structural recovery in molecular glasses different from the experimental condition in the colloidal experiments (concentration- or volume fraction-jumps); i.e., are colloidal glasses inherently different from molecular glasses or not? To address the question, we resort to model calculations of structural recovery in a molecular glass under constant volume (isochoric) conditions following temperature only- and simultaneous volume- and temperature-jumps, which are closer to the volume fraction-jump conditions used in the thermosensitive-colloidal experiments. The current model predictions are then compared with the signatures of structural recovery under the conventional isobaric state in a molecular glass and with structural recovery behavior in colloidal glasses following volume fraction-jumps. We show that the results obtained from the experiments conducted by our group were contrasting to classical molecular glass behavior because the basis of our comparisons were incorrect (the histories were not analogous). The present calculations (with analogous histories) are qualitatively closer to the colloidal behavior. The signatures of "intrinsic isotherms" and "asymmetry of approach" in the current isochoric model predictions are quite different from those in the

Resolution and Kinematics of Molecular Gas Surrounding the Cloverleaf Quasar at Z = 2.6 Using the Gravitational Lens

NASA Astrophysics Data System (ADS)

Yun, M. S.; Scoville, N. Z.; Carrasco, J. J.; Blandford, R. D.

1997-04-01

Gravitational lenses have long been advertised as primitive telescopes, capable of magnifying cosmologically distant sources. In this Letter we present new, 0.9" resolution CO (7-6) observations of the z = 2.56 Cloverleaf quasar (H1413+117) and spatially resolved images. By modeling the gravitational lens, we infer a size scale of 0.3" (~1 kpc) for the molecular gas structure surrounding the quasar, and the gas has a kinematic structure roughly consistent with a rotating disk. The observed properties of the CO-emitting gas are similar to the nuclear starburst complexes found in the infrared luminous galaxies in the local universe, and metal enrichment by vigorous star formation within this massive nuclear gas complex can explain the abundance of carbon and oxygen in the interstellar medium of this system observed when the universe was only a few billion years old. Obtaining corresponding details in an unlensed object at similar distances would be well beyond the reach of current instruments, and this study highlights the less exploited yet powerful use of a gravitational lens as a natural telescope.

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

The Star Cluster System in the Local Group Starburst Galaxy IC 10

NASA Astrophysics Data System (ADS)

Lim, Sungsoon; Lee, Myung Gyoon

2015-05-01

We present a survey of star clusters in the halo of IC 10, a starburst galaxy in the Local Group, based on Subaru R-band images and NOAO Local Group Survey UBVRI images. We find five new star clusters. All of these star clusters are located far from the center of IC 10, while previously known star clusters are mostly located in the main body. Interestingly, the distribution of these star clusters shows an asymmetrical structure elongated along the east and southwest directions. We derive UBVRI photometry of 66 star clusters, including these new star clusters, as well as previously known star clusters. Ages of the star clusters are estimated from a comparison of their UBVRI spectral energy distribution with the simple stellar population models. We find that the star clusters in the halo are all older than 1 Gyr, while those in the main body have various ages, from very young (several Myr) to old (\\gt 1 Gyr). The young clusters (\\lt 10 Myr) are mostly located in the Hα emission regions and are concentrated on a small region at 2\\prime\\prime in the southeast direction from the galaxy center, while the old clusters are distributed in a wider area than the disk. Intermediate-age clusters (∼100 Myr) are found in two groups. One is close to the location of the young clusters and the other is at ∼ 4\\prime\\prime from the location of the young clusters. The latter may be related to past mergers or tidal interaction.

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'…

The abundance of nitrogen in starburst nucleus galaxies

NASA Astrophysics Data System (ADS)

Coziol, R.; Reyes, R. E. Carlos; Considère, S.; Davoust, E.; Contini, T.

1999-05-01

We show that the excess of nitrogen emission observed in a large sample of Starburst Nucleus Galaxies (SBNGs) can only be explained at a given metallicity by an overabundance of nitrogen with respect to normal H ii regions in the disks of late-type spirals. The N/O ratios in the SBNGs are comparable to the values found in the bulges of normal early-type spirals, which suggests that what we observe could be the main production of nitrogen in the bulges of these galaxies. The variation of the N/O ratio as a function of metallicity in SBNGs follows a primary + secondary relation, but the increase of nitrogen does not appear as a continuous process. In SBNGs, nitrogen is probably produced by different populations of intermediate-mass stars, which were formed during past sequences of bursts of star formation. This assumption pushes the origin of the main bursts 2-3 Gyrs back in the past. On a cosmological scale, this time interval corresponds to redshifts z ~ 0.2-0.3, where a significant increase of star formation activity occurred. The origin of the SBNG phenomenon would thus have cosmological implications, it would be related to a more active phase of star formation in the Universe sometime in its recent past. Based on observations obtained at the 193cm telescope of Observatoire de Haute-Provence, operated by INSU (CNRS)

Dynamic Structure of a Molecular Liquid S0.5Cl0.5: Ab initio Molecular-Dynamics Simulations

NASA Astrophysics Data System (ADS)

Ohmura, Satoshi; Shimakura, Hironori; Kawakita, Yukinobu; Shimojo, Fuyuki; Yao, Makoto

2013-07-01

The static and dynamic structures of a molecular liquid S0.5Cl0.5 consisting of Cl--S--S--Cl (S2Cl2) type molecules are studied by means of ab initio molecular dynamics simulations. Both the calculated static and dynamic structure factors are in good agreement with experimental results. The dynamic structures are discussed based on van-Hove distinct correlation functions, molecular translational mean-square displacements (TMSD) and rotational mean-square displacements (RMSD). In the TMSD and RMSD, there are ballistic and diffusive regimes in the sub-picosecond and picosecond time regions, respectively. These time scales are consistent with the decay time observed experimentally. The interaction between molecules in the liquid is also discussed in comparison with that in another liquid chalcogen--halogen system Se0.5Cl0.5.

Shape asymmetry: a morphological indicator for automatic detection of galaxies in the post-coalescence merger stages

NASA Astrophysics Data System (ADS)

Pawlik, M. M.; Wild, V.; Walcher, C. J.; Johansson, P. H.; Villforth, C.; Rowlands, K.; Mendez-Abreu, J.; Hewlett, T.

2016-03-01

We present a new morphological indicator designed for automated recognition of galaxies with faint asymmetric tidal features suggestive of an ongoing or past merger. We use the new indicator, together with pre-existing diagnostics of galaxy structure to study the role of galaxy mergers in inducing (post-) starburst spectral signatures in local galaxies, and investigate whether (post-) starburst galaxies play a role in the build-up of the `red sequence'. Our morphological and structural analysis of an evolutionary sample of 335 (post-) starburst galaxies in the Sloan Digital Sky Survey DR7 with starburst ages 0 < tSB < 0.6 Gyr, shows that 45 per cent of galaxies with young starbursts (tSB < 0.1 Gyr) show signatures of an ongoing or past merger. This fraction declines with starburst age, and we find a good agreement between automated and visual classifications. The majority of the oldest (post-) starburst galaxies in our sample (tSB ˜ 0.6 Gyr) have structural properties characteristic of early-type discs and are not as highly concentrated as the fully quenched galaxies commonly found on the `red sequence' in the present day Universe. This suggests that, if (post-) starburst galaxies are a transition phase between active star-formation and quiescence, they do not attain the structure of presently quenched galaxies within the first 0.6 Gyr after the starburst.

Detecting molecular features of spectra mainly associated with structural and non-structural carbohydrates in co-products from bioEthanol production using DRIFT with uni- and multivariate molecular spectral analyses.

PubMed

Yu, Peiqiang; Damiran, Daalkhaijav; Azarfar, Arash; Niu, Zhiyuan

2011-01-01

The objective of this study was to use DRIFT spectroscopy with uni- and multivariate molecular spectral analyses as a novel approach to detect molecular features of spectra mainly associated with carbohydrate in the co-products (wheat DDGS, corn DDGS, blend DDGS) from bioethanol processing in comparison with original feedstock (wheat (Triticum), corn (Zea mays)). The carbohydrates related molecular spectral bands included: A_Cell (structural carbohydrates, peaks area region and baseline: ca. 1485-1188 cm(-1)), A_1240 (structural carbohydrates, peak area centered at ca. 1240 cm(-1) with region and baseline: ca. 1292-1198 cm(-1)), A_CHO (total carbohydrates, peaks region and baseline: ca. 1187-950 cm(-1)), A_928 (non-structural carbohydrates, peak area centered at ca. 928 cm(-1) with region and baseline: ca. 952-910 cm(-1)), A_860 (non-structural carbohydrates, peak area centered at ca. 860 cm(-1) with region and baseline: ca. 880-827 cm(-1)), H_1415 (structural carbohydrate, peak height centered at ca. 1415 cm(-1) with baseline: ca. 1485-1188 cm(-1)), H_1370 (structural carbohydrate, peak height at ca. 1370 cm(-1) with a baseline: ca. 1485-1188 cm(-1)). The study shows that the grains had lower spectral intensity (KM Unit) of the cellulosic compounds of A_1240 (8.5 vs. 36.6, P < 0.05), higher (P < 0.05) intensities of the non-structural carbohydrate of A_928 (17.3 vs. 2.0) and A_860 (20.7 vs. 7.6) than their co-products from bioethanol processing. There were no differences (P > 0.05) in the peak area intensities of A_Cell (structural CHO) at 1292-1198 cm(-1) and A_CHO (total CHO) at 1187-950 cm(-1) with average molecular infrared intensity KM unit of 226.8 and 508.1, respectively. There were no differences (P > 0.05) in the peak height intensities of H_1415 and H_1370 (structural CHOs) with average intensities 1.35 and 1.15, respectively. The multivariate molecular spectral analyses were able to discriminate and classify between the corn and corn DDGS molecular

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.

Discovery of a Galaxy Cluster with a Violently Starbursting Core at z = 2.506

NASA Astrophysics Data System (ADS)

Wang, Tao; Elbaz, David; Daddi, Emanuele; Finoguenov, Alexis; Liu, Daizhong; Schreiber, Corentin; Martín, Sergio; Strazzullo, Veronica; Valentino, Francesco; van der Burg, Remco; Zanella, Anita; Ciesla, Laure; Gobat, Raphael; Le Brun, Amandine; Pannella, Maurilio; Sargent, Mark; Shu, Xinwen; Tan, Qinghua; Cappelluti, Nico; Li, Yanxia

2016-09-01

We report the discovery of a remarkable concentration of massive galaxies with extended X-ray emission at z spec = 2.506, which contains 11 massive (M * ≳ 1011 M ⊙) galaxies in the central 80 kpc region (11.6σ overdensity). We have spectroscopically confirmed 17 member galaxies with 11 from CO and the remaining ones from Hα. The X-ray luminosity, stellar mass content, and velocity dispersion all point to a collapsed, cluster-sized dark matter halo with mass M 200c = 1013.9±0.2 M ⊙, making it the most distant X-ray-detected cluster known to date. Unlike other clusters discovered so far, this structure is dominated by star-forming galaxies (SFGs) in the core with only 2 out of the 11 massive galaxies classified as quiescent. The star formation rate (SFR) in the 80 kpc core reaches ˜3400 M ⊙ yr-1 with a gas depletion time of ˜200 Myr, suggesting that we caught this cluster in rapid build-up of a dense core. The high SFR is driven by both a high abundance of SFGs and a higher starburst fraction (˜25%, compared to 3%-5% in the field). The presence of both a collapsed, cluster-sized halo and a predominant population of massive SFGs suggests that this structure could represent an important transition phase between protoclusters and mature clusters. It provides evidence that the main phase of massive galaxy passivization will take place after galaxies accrete onto the cluster, providing new insights into massive cluster formation at early epochs. The large integrated stellar mass at such high redshift challenges our understanding of massive cluster formation.

Modulated structure and molecular dissociation of solid chlorine at high pressures

NASA Astrophysics Data System (ADS)

Li, Peifang; Gao, Guoying; Ma, Yanming

2012-08-01

Among diatomic molecular halogen solids, high pressure structures of solid chlorine (Cl2) remain elusive and least studied. We here report first-principles structural search on solid Cl2 at high pressures through our developed particle-swarm optimization algorithm. We successfully reproduced the known molecular Cmca phase (phase I) at low pressure and found that it remains stable up to a high pressure 142 GPa. At 150 GPa, our structural searches identified several energetically competitive, structurally similar, and modulated structures. Analysis of the structural results and their similarity with those in solid Br2 and I2, it was suggested that solid Cl2 adopts an incommensurate modulated structure with a modulation wave close to 2/7 in a narrow pressure range 142-157 GPa. Eventually, our simulations at >157 GPa were able to predict the molecular dissociation of solid Cl2 into monatomic phases having body centered orthorhombic (bco) and face-centered cubic (fcc) structures, respectively. One unique monatomic structural feature of solid Cl2 is the absence of intermediate body centered tetragonal (bct) structure during the bco → fcc transition, which however has been observed or theoretically predicted in solid Br2 and I2. Electron-phonon coupling calculations revealed that solid Cl2 becomes superconductors within bco and fcc phases possessing a highest superconducting temperature of 13.03 K at 380 GPa. We further probed the molecular Cmca → incommensurate phase transition mechanism and found that the softening of the Ag vibrational (rotational) Raman mode in the Cmca phase might be the driving force to initiate the transition.

A molecular engineering toolbox for the structural biologist

PubMed Central

Debelouchina, Galia T.; Muir, Tom W.

2018-01-01

Exciting new technological developments have pushed the boundaries of structural biology, and have enabled studies of biological macromolecules and assemblies that would have been unthinkable not long ago. Yet, the enhanced capabilities of structural biologists to pry into the complex molecular world have also placed new demands on the abilities of protein engineers to reproduce this complexity into the test tube. With this challenge in mind, we review the contents of the modern molecular engineering toolbox that allow the manipulation of proteins in a site-specific and chemically well-defined fashion. Thus, we cover concepts related to the modification of cysteines and other natural amino acids, native chemical ligation, intein and sortase-based approaches, amber suppression, as well as chemical and enzymatic bio-conjugation strategies. We also describe how these tools can be used to aid methodology development in X-ray crystallography, nuclear magnetic resonance, cryo-electron microscopy and in the studies of dynamic interactions. It is our hope that this monograph will inspire structural biologists and protein engineers alike to apply these tools to novel systems, and to enhance and broaden their scope to meet the outstanding challenges in understanding the molecular basis of cellular processes and disease. PMID:29233219

Investigating Molecular Structures of Bio-Fuel and Bio-Oil Seeds as Predictors To Estimate Protein Bioavailability for Ruminants by Advanced Nondestructive Vibrational Molecular Spectroscopy.

PubMed

Ban, Yajing; L Prates, Luciana; Yu, Peiqiang

2017-10-18

This study was conducted to (1) determine protein and carbohydrate molecular structure profiles and (2) quantify the relationship between structural features and protein bioavailability of newly developed carinata and canola seeds for dairy cows by using Fourier transform infrared molecular spectroscopy. Results showed similarity in protein structural makeup within the entire protein structural region between carinata and canola seeds. The highest area ratios related to structural CHO, total CHO, and cellulosic compounds were obtained for carinata seeds. Carinata and canola seeds showed similar carbohydrate and protein molecular structures by multivariate analyses. Carbohydrate molecular structure profiles were highly correlated to protein rumen degradation and intestinal digestion characteristics. In conclusion, the molecular spectroscopy can detect inherent structural characteristics in carinata and canola seeds in which carbohydrate-relative structural features are related to protein metabolism and utilization. Protein and carbohydrate spectral profiles could be used as predictors of rumen protein bioavailability in cows.

Molecular structure of P2X receptors.

PubMed

Egan, Terrance M; Cox, Jane A; Voigt, Mark M

2004-01-01

P2X receptors are ligand-gated ion channels that transduce many of the physiological effects of extracellular ATP. There has been a dramatic increase in awareness of these receptors over the past 5 or so years, in great part due to their molecular cloning and characterization. The availability of cDNA clones for the various subunits has led to rapid progress in identifying their tissue-specific expression, resulting in new ideas concerning the functional roles these receptors might play in physiological and pathophysiological processes. In addition, molecular approaches have yielded much information regarding the structure and function of the receptor proteins themselves. In this review we seek to review recent findings concerning the molecular determinants of receptor-channel function, with particular focus on ligand binding and gating, ion selectivity, and subunit assembly.

THE JAMES CLERK MAXWELL TELESCOPE NEARBY GALAXIES LEGACY SURVEY. II. WARM MOLECULAR GAS AND STAR FORMATION IN THREE FIELD SPIRAL GALAXIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warren, B. E.; Wilson, C. D.; Sinukoff, E.

2010-05-01

We present the results of large-area {sup 12}CO J = 3-2 emission mapping of three nearby field galaxies, NGC 628, NGC 3521, and NGC 3627, completed at the James Clerk Maxwell Telescope as part of the Nearby Galaxies Legacy Survey. These galaxies all have moderate to strong {sup 12}CO J = 3-2 detections over large areas of the fields observed by the survey, showing resolved structure and dynamics in their warm/dense molecular gas disks. All three galaxies were part of the Spitzer Infrared Nearby Galaxies Survey sample, and as such have excellent published multiwavelength ancillary data. These data sets allowmore » us to examine the star formation properties, gas content, and dynamics of these galaxies on sub-kiloparsec scales. We find that the global gas depletion time for dense/warm molecular gas in these galaxies is consistent with other results for nearby spiral galaxies, indicating this may be independent of galaxy properties such as structures, gas compositions, and environments. Similar to the results from The H I Nearby Galaxy Survey, we do not see a correlation of the star formation efficiency with the gas surface density consistent with the Schmidt-Kennicutt law. Finally, we find that the star formation efficiency of the dense molecular gas traced by {sup 12}CO J = 3-2 is potentially flat or slightly declining as a function of molecular gas density, the {sup 12}CO J = 3-2/J = 1-0 ratio (in contrast to the correlation found in a previous study into the starburst galaxy M83), and the fraction of total gas in molecular form.« less

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.

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.

Advanced understanding on electronic structure of molecular semiconductors and their interfaces

NASA Astrophysics Data System (ADS)

Akaike, Kouki

2018-03-01

Understanding the electronic structure of organic semiconductors and their interfaces is critical to optimizing functionalities for electronics applications, by rational chemical design and appropriate combination of device constituents. The unique electronic structure of a molecular solid is characterized as (i) anisotropic electrostatic fields that originate from molecular quadrupoles, (ii) interfacial energy-level lineup governed by simple electrostatics, and (iii) weak intermolecular interactions that make not only structural order but also energy distributions of the frontier orbitals sensitive to atmosphere and interface growth. This article shows an overview on these features with reference to the improved understanding of the orientation-dependent electronic structure, comprehensive mechanisms of molecular doping, and energy-level alignment. Furthermore, the engineering of ionization energy by the control of the electrostatic fields and work function of practical electrodes by contact-induced doping is briefly described for the purpose of highlighting how the electronic structure impacts the performance of organic devices.

Detecting Molecular Features of Spectra Mainly Associated with Structural and Non-Structural Carbohydrates in Co-Products from BioEthanol Production Using DRIFT with Uni- and Multivariate Molecular Spectral Analyses

PubMed Central

Yu, Peiqiang; Damiran, Daalkhaijav; Azarfar, Arash; Niu, Zhiyuan

2011-01-01

The objective of this study was to use DRIFT spectroscopy with uni- and multivariate molecular spectral analyses as a novel approach to detect molecular features of spectra mainly associated with carbohydrate in the co-products (wheat DDGS, corn DDGS, blend DDGS) from bioethanol processing in comparison with original feedstock (wheat (Triticum), corn (Zea mays)). The carbohydrates related molecular spectral bands included: A_Cell (structural carbohydrates, peaks area region and baseline: ca. 1485–1188 cm−1), A_1240 (structural carbohydrates, peak area centered at ca. 1240 cm−1 with region and baseline: ca. 1292–1198 cm−1), A_CHO (total carbohydrates, peaks region and baseline: ca. 1187–950 cm−1), A_928 (non-structural carbohydrates, peak area centered at ca. 928 cm−1 with region and baseline: ca. 952–910 cm−1), A_860 (non-structural carbohydrates, peak area centered at ca. 860 cm−1 with region and baseline: ca. 880–827 cm−1), H_1415 (structural carbohydrate, peak height centered at ca. 1415 cm−1 with baseline: ca. 1485–1188 cm−1), H_1370 (structural carbohydrate, peak height at ca. 1370 cm−1 with a baseline: ca. 1485–1188 cm−1). The study shows that the grains had lower spectral intensity (KM Unit) of the cellulosic compounds of A_1240 (8.5 vs. 36.6, P < 0.05), higher (P < 0.05) intensities of the non-structural carbohydrate of A_928 (17.3 vs. 2.0) and A_860 (20.7 vs. 7.6) than their co-products from bioethanol processing. There were no differences (P > 0.05) in the peak area intensities of A_Cell (structural CHO) at 1292–1198 cm−1 and A_CHO (total CHO) at 1187–950 cm−1 with average molecular infrared intensity KM unit of 226.8 and 508.1, respectively. There were no differences (P > 0.05) in the peak height intensities of H_1415 and H_1370 (structural CHOs) with average intensities 1.35 and 1.15, respectively. The multivariate molecular spectral analyses were able to discriminate and classify between the corn and corn

The Molecular Structure of cis-FONO

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Dateo, Christopher E.; Rice, Julia E.; Langhoff, Stephen R. (Technical Monitor)

1994-01-01

The molecular structure of cis-FONO has been determined with the CCSD(T) correlation method using an spdf quality basis set. In agreement with previous coupled-cluster calculations but in disagreement with density functional theory, cis-FONO is found to exhibit normal bond distances. The quadratic and cubic force fields of cis-FONO have also been determined in order to evaluate the effect of vibrational averaging on the molecular geometry. Vibrational averaging is found to increase bond distances, as expected, but it does not affect the qualitative nature of the bonding. The CCSD(T)/spdf harmonic frequencies of cis-FONO support our previous assertion that a band observed at 1200 /cm is a combination band (upsilon(sub 3) + upsilon(sub 4)), and not a fundamental.

Defining the molecular structure of teixobactin analogues and understanding their role in antibacterial activities.

PubMed

Parmar, Anish; Prior, Stephen H; Iyer, Abhishek; Vincent, Charlotte S; Van Lysebetten, Dorien; Breukink, Eefjan; Madder, Annemieke; Taylor, Edward J; Singh, Ishwar

2017-02-07

The discovery of the highly potent antibiotic teixobactin, which kills the bacteria without any detectable resistance, has stimulated interest in its structure-activity relationship. However, a molecular structure-activity relationship has not been established so far for teixobactin. Moreover, the importance of the individual amino acids in terms of their l/d configuration and their contribution to the molecular structure and biological activity are still unknown. For the first time, we have defined the molecular structure of seven teixobactin analogues through the variation of the d/l configuration of its key residues, namely N-Me-d-Phe, d-Gln, d-allo-Ile and d-Thr. Furthermore, we have established the role of the individual d amino acids and correlated this with the molecular structure and biological activity. Through extensive NMR and structural calculations, including molecular dynamics simulations, we have revealed the residues for maintaining a reasonably unstructured teixobactin which is imperative for biological activity.

Molecular Modeling on Berberine Derivatives toward BuChE: An Integrated Study with Quantitative Structure-Activity Relationships Models, Molecular Docking, and Molecular Dynamics Simulations.

PubMed

Fang, Jiansong; Pang, Xiaocong; Wu, Ping; Yan, Rong; Gao, Li; Li, Chao; Lian, Wenwen; Wang, Qi; Liu, Ai-lin; Du, Guan-hua

2016-05-01

A dataset of 67 berberine derivatives for the inhibition of butyrylcholinesterase (BuChE) was studied based on the combination of quantitative structure-activity relationships models, molecular docking, and molecular dynamics methods. First, a series of berberine derivatives were reported, and their inhibitory activities toward butyrylcholinesterase (BuChE) were evaluated. By 2D- quantitative structure-activity relationships studies, the best model built by partial least-square had a conventional correlation coefficient of the training set (R(2)) of 0.883, a cross-validation correlation coefficient (Qcv2) of 0.777, and a conventional correlation coefficient of the test set (Rpred2) of 0.775. The model was also confirmed by Y-randomization examination. In addition, the molecular docking and molecular dynamics simulation were performed to better elucidate the inhibitory mechanism of three typical berberine derivatives (berberine, C2, and C55) toward BuChE. The predicted binding free energy results were consistent with the experimental data and showed that the van der Waals energy term (ΔEvdw) difference played the most important role in differentiating the activity among the three inhibitors (berberine, C2, and C55). The developed quantitative structure-activity relationships models provide details on the fine relationship linking structure and activity and offer clues for structural modifications, and the molecular simulation helps to understand the inhibitory mechanism of the three typical inhibitors. In conclusion, the results of this study provide useful clues for new drug design and discovery of BuChE inhibitors from berberine derivatives. © 2015 John Wiley & Sons A/S.

Erratum: Signatures of the Youngest Starbursts: Optically Thick Thermal Bremsstrahlung Radio Sources in Henize 2-10

NASA Astrophysics Data System (ADS)

Kobulnicky, Henry A.; Johnson, Kelsey E.

2000-08-01

In the article ``Signatures of the Youngest Starbursts: Optically Thick Thermal Bremsstrahlung Radio Sources in Henize 2-10'' by Henry A. Kobulnicky and Kelsey E. Johnson (ApJ, 527, 154 [1999]), equation (4) was incorrect in the original submitted manuscript and thus appears incorrect in print. Equation (4) should read,EM(cm-6 pc)=12.1[Te(K)]1.35[ν(GHz)]2.1τ .(4)The following sentence should read, ``These knots yield emission measures in excess of 106 cm-6 pc at 8 GHz.'' These errors are of a typographical nature and do not affect other aspects of the analysis or discussion.

Inverse Compton X-Ray Halos Around High-z Radio Galaxies: A Feedback Mechanism Powered by Far-Infrared Starbursts or the Cosmic Microwave Background?

NASA Technical Reports Server (NTRS)

Small, Ian; Blundell, Katherine M.; Lehmer, B. D.; Alexander, D. M.

2012-01-01

We report the detection of extended X-ray emission around two powerful radio galaxies at z approx. 3.6 (4C 03.24 and 4C 19.71) and use these to investigate the origin of extended, inverse Compton (IC) powered X-ray halos at high redshifts. The halos have X-ray luminosities of L(sub X) approx. 3 x 10(exp 44) erg/s and sizes of approx.60 kpc. Their morphologies are broadly similar to the approx.60 kpc long radio lobes around these galaxies suggesting they are formed from IC scattering by relativistic electrons in the radio lobes, of either cosmic microwave background (CMB) photons or far-infrared photons from the dust-obscured starbursts in these galaxies. These observations double the number of z > 3 radio galaxies with X-ray-detected IC halos. We compare the IC X-ray-to-radio luminosity ratios for the two new detections to the two previously detected z approx. 3.8 radio galaxies. Given the similar redshifts, we would expect comparable X-ray IC luminosities if millimeter photons from the CMB are the dominant seed field for the IC emission (assuming all four galaxies have similar ages and jet powers). Instead we see that the two z approx. 3.6 radio galaxies, which are 4 fainter in the far-infrared than those at z 3.8, also have approx.4x fainter X-ray IC emission. Including data for a further six z > or approx. 2 radio sources with detected IC X-ray halos from the literature, we suggest that in the more compact, majority of radio sources, those with lobe sizes < or approx.100-200 kpc, the bulk of the IC emission may be driven by scattering of locally produced far-infrared photons from luminous, dust-obscured starbursts within these galaxies, rather than millimeter photons from the CMB. The resulting X-ray emission appears sufficient to ionize the gas on approx.100-200 kpc scales around these systems and thus helps form the extended, kinematically quiescent Ly(alpha) emission line halos found around some of these systems. The starburst and active galactic nucleus

DISCOVERY OF A GALAXY CLUSTER WITH A VIOLENTLY STARBURSTING CORE AT z = 2.506

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Tao; Elbaz, David; Daddi, Emanuele

2016-09-01

We report the discovery of a remarkable concentration of massive galaxies with extended X-ray emission at z {sub spec} = 2.506, which contains 11 massive (M {sub *} ≳ 10{sup 11} M {sub ⊙}) galaxies in the central 80 kpc region (11.6 σ overdensity). We have spectroscopically confirmed 17 member galaxies with 11 from CO and the remaining ones from H α . The X-ray luminosity, stellar mass content, and velocity dispersion all point to a collapsed, cluster-sized dark matter halo with mass M {sub 200} {sub c} = 10{sup 13.9±0.2} M {sub ⊙}, making it the most distant X-ray-detectedmore » cluster known to date. Unlike other clusters discovered so far, this structure is dominated by star-forming galaxies (SFGs) in the core with only 2 out of the 11 massive galaxies classified as quiescent. The star formation rate (SFR) in the 80 kpc core reaches ∼3400 M {sub ⊙} yr{sup −1} with a gas depletion time of ∼200 Myr, suggesting that we caught this cluster in rapid build-up of a dense core. The high SFR is driven by both a high abundance of SFGs and a higher starburst fraction (∼25%, compared to 3%–5% in the field). The presence of both a collapsed, cluster-sized halo and a predominant population of massive SFGs suggests that this structure could represent an important transition phase between protoclusters and mature clusters. It provides evidence that the main phase of massive galaxy passivization will take place after galaxies accrete onto the cluster, providing new insights into massive cluster formation at early epochs. The large integrated stellar mass at such high redshift challenges our understanding of massive cluster formation.« less

An Insight towards Conceptual Understanding: Looking into the Molecular Structures of Compounds

ERIC Educational Resources Information Center

Uyulgan, Melis Arzu; Akkuzu, Nalan

2016-01-01

The subject of molecular structures is one of the most important and complex subject in chemistry which a majority of the undergraduate students have difficulties to understand its concepts and characteristics correctly. To comprehend the molecular structures and their characteristics the students need to understand related subjects such as Lewis…

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.

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)

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…

Carbon Abundances in Starburst Galaxies of the Local Universe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peña-Guerrero, María A.; Leitherer, Claus; Mink, Selma de

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. Wemore » 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.« less

ALMA Reveals a Compact Starburst Around a Hidden QSO at z˜5

NASA Astrophysics Data System (ADS)

Gilli, R.; Norman, C. A.; Vignali, C.

2015-12-01

We present ALMA 1.3mm observations of XID403, an SMG at z=4.75 in the Chandra Deep Field South hosting a heavily obscured, Compton-thick QSO. The ALMA data show that the dust heated by star formation is distributed within ˜0.9 kpc from the nucleus (effective radius). The SFR and dust temperature obtained from the Herschel+ALMA far-IR SED, reveal a warm and compact starburst with surface density of 200 M⊙ yr-1 kpc-2. Our analysis suggest that, besides the mass, SFR and gas consumption timescale, objects like XID403 have also the right size to be the progenitors of the compact quiescent massive galaxies seen at z˜3. It is finally shown that the density of the gas co-spatial with the dust provides a substantial contribution to the absorbing column density towards the QSO as measured from the X-rays.

Chemical graphs, molecular matrices and topological indices in chemoinformatics and quantitative structure-activity relationships.

PubMed

Ivanciuc, Ovidiu

2013-06-01

Chemical and molecular graphs have fundamental applications in chemoinformatics, quantitative structureproperty relationships (QSPR), quantitative structure-activity relationships (QSAR), virtual screening of chemical libraries, and computational drug design. Chemoinformatics applications of graphs include chemical structure representation and coding, database search and retrieval, and physicochemical property prediction. QSPR, QSAR and virtual screening are based on the structure-property principle, which states that the physicochemical and biological properties of chemical compounds can be predicted from their chemical structure. Such structure-property correlations are usually developed from topological indices and fingerprints computed from the molecular graph and from molecular descriptors computed from the three-dimensional chemical structure. We present here a selection of the most important graph descriptors and topological indices, including molecular matrices, graph spectra, spectral moments, graph polynomials, and vertex topological indices. These graph descriptors are used to define several topological indices based on molecular connectivity, graph distance, reciprocal distance, distance-degree, distance-valency, spectra, polynomials, and information theory concepts. The molecular descriptors and topological indices can be developed with a more general approach, based on molecular graph operators, which define a family of graph indices related by a common formula. Graph descriptors and topological indices for molecules containing heteroatoms and multiple bonds are computed with weighting schemes based on atomic properties, such as the atomic number, covalent radius, or electronegativity. The correlation in QSPR and QSAR models can be improved by optimizing some parameters in the formula of topological indices, as demonstrated for structural descriptors based on atomic connectivity and graph distance.

A Robust Test of the Unified Model for Seyfert Galaxies with Implications for the Starburst Phenomenon

NASA Technical Reports Server (NTRS)

Weaver, Kimberly A.

1997-01-01

My research involves detailed analysis of X-ray emission from Active Galactic Nuclei (AGN). For over a decade, the paradigm for AGN has rested soundly on the unified model hypothesis, which posits that the only difference between broad-line objects (e.g., Type 1 Seyfert galaxies) and narrow-line objects (e.g., Type 2 Seyferts) is that in the former case our line of sight evades toroidal obscuration surrounding the nucleus, while in the latter, our line of sight is blocked by the optically thick torus. It is well established that some Seyfert 2s contain Seyfert I nuclei (i.e., a hidden broad line region), but whether or not all Seyfert 2s contain obscured Seyfert 1 nuclei or whether some Seyfert 2s are intrinsically Seyfert 2s is not known. Optical, IR, and UV surveys are not appropriate to examine this hypothesis because such emissions are either anisotropic or subject to the effects of obscuration, and thus depend strongly on viewing angle. Hard X-rays, on the other hand, can penetrate gas with column densities as high as 10( exp 24.5) cm(-2) and thus provide reliable, direct probes of the cores of heavily obscured AGN. Combining NASA archival data from the Advanced Satellite of Cosmology and Astrophysics (ASCA), the Rossi X-ray Timing Explorer (RXTE), and Rosat, I am accumulating X-ray data between 0.1 and 60 keV to produce a catalog of the broad-band X-ray spectral properties of Seyfert galaxies. These data will be used to perform concrete tests of the unified model, and (compared with similar data on Starbursts) to examine a possible evolutionary connection between Seyfert and Starburst galaxies.

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.

An Ultraviolet and Near-Infrared View of NGC 4214: A Starbursting Core Embedded in a Low Surface Brightness Disk

NASA Astrophysics Data System (ADS)

Fanelli, Michael N.; Waller, William W.; Smith, Denise A.; Freedman, Wendy L.; Madore, Barry; Neff, Susan G.; O'Connell, Robert W.; Roberts, Morton S.; Bohlin, Ralph; Smith, Andrew M.; Stecher, Theodore P.

1997-05-01

During the Astro-2 Spacelab mission in 1995 March, the Ultraviolet Imaging Telescope (UIT) obtained far-UV (λ = 1500 Å) imagery of the nearby Sm/Im galaxy NGC 4214. The UIT images have a spatial resolution of ~3" and a limiting surface brightness, μ1500 > 25 mag arcsec-2, permitting detailed investigation of the intensity and spatial distribution of the young, high-mass stellar component. These data provide the first far-UV imagery covering the full spatial extent of NGC 4214. Comparison with a corresponding I-band image reveals the presence of a starbursting core embedded in an extensive low surface brightness disk. In the far-UV (FUV), NGC 4214 is resolved into several components: a luminous, central knot; an inner region (r <~ 2.5 kpc) with ~15 resolved sources embedded in bright, diffuse emission; and a population of fainter knots extending to the edge of the optically defined disk (r ~ 5 kpc). The FUV light, which traces recent massive star formation, is observed to be more centrally concentrated than the I-band light, which traces the global stellar population. The FUV radial light profile is remarkably well represented by an R1/4 law, providing evidence that the centrally concentrated massive star formation in NGC 4214 is the result of an interaction, possibly a tidal encounter, with a dwarf companion(s). The brightest FUV source produces ~8% of the global FUV luminosity. This unresolved source, corresponding to the Wolf-Rayet knot described by Sargent & Filippenko, is located at the center of the FUV light distribution, giving NGC 4214 an active galactic nucleus-like morphology. Another strong source is present in the I band, located 19" west, 10" north of the central starburst knot, with no FUV counterpart. The I-band source may be the previously unrecognized nucleus of NGC 4214 or an evolved star cluster with an age greater than ~200 Myr. The global star formation rate derived from the total FUV flux is consistent with rates derived using data at other

Rate Kinetics and Molecular Dynamics of the Structural Transitions in Amyloidogenic Proteins

NASA Astrophysics Data System (ADS)

Steckmann, Timothy M.

Amyloid fibril aggregation is associated with several horrific diseases such as Alzheimer's, Creutzfeld-Jacob, diabetes, Parkinson's and others. The process of amyloid aggregation involves forming myriad different metastable intermediate aggregates. Amyloid fibrils are composed of proteins that originate in an innocuous alpha-helix or random-coil structure. The alpha-helices convert their structure to beta-strands that aggregate into beta-sheets, and then into protofibrils, and ultimately into fully formed amyloid fibrils. On the basis of experimental data, I have developed a mathematical model for the kinetics of the reaction pathways and determined rate parameters for peptide secondary structural conversion and aggregation during the entire fibrillogenesis process from random coil to fibrils, including the molecular species that accelerate the conversions. The specific steps of the model and the rate constants that are determined by fitting to experimental data provide insight on the molecular species involved in the fibril formation process. To better understand the molecular basis of the protein structural transitions and aggregation, I report on molecular dynamics (MD) computational studies on the formation of amyloid protofibrillar structures in the small model protein ccbeta, which undergoes many of the structural transitions of the larger, naturally occurring amyloid forming proteins. Two different structural transition processes involving hydrogen bonds are observed for aggregation into fibrils: the breaking of intrachain hydrogen bonds to allow beta-hairpin proteins to straighten, and the subsequent formation of interchain hydrogen bonds during aggregation into amyloid fibrils. For my MD simulations, I found that the temperature dependence of these two different structural transition processes results in the existence of a temperature window that the ccbeta protein experiences during the process of forming protofibrillar structures. Both the mathematical

The molecular structural features controlling stickiness in cooked rice, a major palatability determinant

NASA Astrophysics Data System (ADS)

Li, Hongyan; Fitzgerald, Melissa A.; Prakash, Sangeeta; Nicholson, Timothy M.; Gilbert, Robert G.

2017-03-01

The stickiness of cooked rice is important for eating quality and consumer acceptance. The first molecular understanding of stickiness is obtained from leaching and molecular structural characteristics during cooking. Starch is a highly branched glucose polymer. We find (i) the molecular size of leached amylopectin is 30 times smaller than that of native amylopectin while (ii) that of leached amylose is 5 times smaller than that of native amylose, (iii) the chain-length distribution (CLD: the number of monomer units in a chain on the branched polymer) of leached amylopectin is similar to native amylopectin while (iv) the CLD of leached amylose is much narrower than that of the native amylose, and (v) mainly amylopectin, not amylose, leaches out of the granule and rice kernel during cooking. Stickiness is found to increase with decreasing amylose content in the whole grain, and, in the leachate, with increasing total amount of amylopectin, the proportion of short amylopectin chains, and amylopectin molecular size. Molecular adhesion mechanisms are put forward to explain this result. This molecular structural mechanism provides a new tool for rice breeders to select cultivars with desirable palatability by quantifying the components and molecular structure of leached starch.

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.

Molecular structure of the lecithin ripple phase

NASA Astrophysics Data System (ADS)

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

2005-04-01

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. molecular dynamics simulation | structural model

Searching molecular structure databases with tandem mass spectra using CSI:FingerID

PubMed Central

Dührkop, Kai; Shen, Huibin; Meusel, Marvin; Rousu, Juho; Böcker, Sebastian

2015-01-01

Metabolites provide a direct functional signature of cellular state. Untargeted metabolomics experiments usually rely on tandem MS to identify the thousands of compounds in a biological sample. Today, the vast majority of metabolites remain unknown. We present a method for searching molecular structure databases using tandem MS data of small molecules. Our method computes a fragmentation tree that best explains the fragmentation spectrum of an unknown molecule. We use the fragmentation tree to predict the molecular structure fingerprint of the unknown compound using machine learning. This fingerprint is then used to search a molecular structure database such as PubChem. Our method is shown to improve on the competing methods for computational metabolite identification by a considerable margin. PMID:26392543

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)

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

Understanding molecular structure dependence of exciton diffusion in conjugated small molecules

NASA Astrophysics Data System (ADS)

Li, Zi; Zhang, Xu; Woellner, Cristiano F.; Lu, Gang

2014-04-01

First-principles simulations are carried out to understand molecular structure dependence of exciton diffusion in a series of small conjugated molecules arranged in a disordered, crystalline, and blend structure. Exciton diffusion length (LD), lifetime, and diffusivity in four diketopyrrolopyrrole derivatives are calculated and the results compare very well with experimental values. The correlation between exciton diffusion and molecular structure is examined in detail. In the disordered molecule structure, a longer backbone length leads to a shorter exciton lifetime and a higher exciton diffusivity, but it does not change LD substantially. Removal of the end alkyl chains or the extra branch on the side alkyl chains reduces LD. In the crystalline structure, exciton diffusion exhibits a strong anisotropy whose origin can be elucidated from the intermolecular transition density interaction point of view. In the blend structure, LD increases with the crystalline ratios, which are estimated and consistent with the experimental results.

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

Recent research on inherent molecular structure, physiochemical properties, and bio-functions of food and feed-type Avena sativa oats and processing-induced changes revealed with molecular microspectroscopic techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prates, Luciana Louzada; Yu, Peiqiang

Avena sativa oat is a cereal widely used as human food and livestock feed. However, the low metabolized energy and the rapid rumen degradations of protein and starch have limited the use of A. sativa oat grains. To overcome this disadvantage, new A. sativa oat varieties have been developed. Additionally, heat-related processing has been performed to decrease the degradation rate and improve the absorption of amino acids in the small intestine. The nutritive value is reflected by both chemical composition and inherent molecular structure conformation. However, the traditional wet chemical analysis is not able to detect the inherent molecular structuresmore » within an intact tissue. The advanced synchrotron-radiation and globar-based molecular microspectroscopy have been developed recently and applied to study internal molecular structures and the processing induced structure changes in A. sativa oats and reveal how molecular structure changes in relation to nutrient availability. This review aimed to obtain the recent information regarding physiochemical properties, molecular structures, metabolic characteristics of protein, and the heat-induced changes in new A. sativa oat varieties. The use of the advanced vibrational molecular spectroscopy was emphasized, synchrotron- and globar-based (micro)spectroscopy, to reveal the inherent structure of A. sativa oats at cellular and molecular levels and to reveal the heat processing effect on the degradation characteristics and the protein molecular structure in A. sativa oats. The relationship between nutrient availability and protein molecular inherent structure was also presented. Information described in this review gives better insight in the physiochemical properties, molecular structure, and the heat-induced changes in A. sativa oat detected with advanced molecular spectroscopic techniques in combinination with conventional nutrition study techniques.« less

ngVLA Key Science Goal 3: Charting the Assembly, Structure, and Evolution of Galaxies Over Cosmic Time

NASA Astrophysics Data System (ADS)

Riechers, Dominik A.; Bolatto, Alberto D.; Carilli, Chris; Casey, Caitlin M.; Decarli, Roberto; Murphy, Eric Joseph; Narayanan, Desika; Walter, Fabian; ngVLA Galaxy Assembly through Cosmic Time Science Working Group, ngVLA Galaxy Ecosystems Science Working Group

2018-01-01

The Next Generation Very Large Array (ngVLA) will fundamentally advance our understanding of the formation processes that lead to the assembly of galaxies throughout cosmic history. The combination of large bandwidth with unprecedented sensitivity to the critical low-level CO lines over virtually the entire redshift range will open up the opportunity to conduct large-scale, deep cold molecular gas surveys, mapping the fuel for star formation in galaxies over substantial cosmic volumes. Imaging of the sub-kiloparsec scale distribution and kinematic structure of molecular gas in both normal main-sequence galaxies and large starbursts back to early cosmic epochs will reveal the physical processes responsible for star formation and black hole growth in galaxies over a broad range in redshifts. In the nearby universe, the ngVLA has the capability to survey the structure of the cold, star-forming interstellar medium at parsec-resolution out to the Virgo cluster. A range of molecular tracers will be accessible to map the motion, distribution, and physical and chemical state of the gas as it flows in from the outer disk, assembles into clouds, and experiences feedback due to star formation or accretion into central super-massive black holes. These investigations will crucially complement studies of the star formation and stellar mass histories with the Large UV/Optical/Infrared Surveyor and the Origins Space Telescope, providing the means to obtain a comprehensive picture of galaxy evolution through cosmic times.

VPAC receptors: structure, molecular pharmacology and interaction with accessory proteins.

PubMed

Couvineau, Alain; Laburthe, Marc

2012-05-01

The vasoactive intestinal peptide (VIP) is a neuropeptide with wide distribution in both central and peripheral nervous systems, where it plays important regulatory role in many physiological processes. VIP displays a large biological functions including regulation of exocrine secretions, hormone release, fetal development, immune responses, etc. VIP appears to exert beneficial effect in neuro-degenerative and inflammatory diseases. The mechanism of action of VIP implicates two subtypes of receptors (VPAC1 and VPAC2), which are members of class B receptors belonging to the super-family of GPCR. This article reviews the current knowledge regarding the structure and molecular pharmacology of VPAC receptors. The structure-function relationship of VPAC1 receptor has been extensively studied, allowing to understand the molecular basis for receptor affinity, specificity, desensitization and coupling to adenylyl cyclase. Those studies have clearly demonstrated the crucial role of the N-terminal ectodomain (N-ted) of VPAC1 receptor in VIP recognition. By using different approaches including directed mutagenesis, photoaffinity labelling, NMR, molecular modelling and molecular dynamic simulation, it has been shown that the VIP molecule interacts with the N-ted of VPAC1 receptor, which is itself structured as a 'Sushi' domain. VPAC1 receptor also interacts with a few accessory proteins that play a role in cell signalling of receptors. Recent advances in the structural characterization of VPAC receptor and more generally of class B GPCRs will lead to the design of new molecules, which could have considerable interest for the treatment of inflammatory and neuro-degenerative diseases. © 2011 The Authors. British Journal of Pharmacology © 2011 The British Pharmacological Society.

Photoionization modeling of the LWS fine-structure lines in IR bright galaxies

NASA Technical Reports Server (NTRS)

Satyapal, S.; Luhman, M. L.; Fischer, J.; Greenhouse, M. A.; Wolfire, M. G.

1997-01-01

The long wavelength spectrometer (LWS) fine structure line spectra from infrared luminous galaxies were modeled using stellar evolutionary synthesis models combined with photoionization and photodissociation region models. The calculations were carried out by using the computational code CLOUDY. Starburst and active galactic nuclei models are presented. The effects of dust in the ionized region are examined.

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.

ALMA Multiple-transition Observations of High-density Molecular Tracers in Ultraluminous Infrared Galaxies

NASA Astrophysics Data System (ADS)

Imanishi, Masatoshi; Nakanishi, Kouichiro; Izumi, Takuma

2018-04-01

We present the results of our ALMA observations of 11 (ultra)luminous infrared galaxies ((U)LIRGs) at J = 4–3 of HCN, HCO+, and HNC and J = 3–2 of HNC. This is an extension of our previously published HCN and HCO+ J = 3–2 observations to multiple rotational J-transitions of multiple molecules, to investigate how molecular emission line flux ratios vary at different J-transitions. We confirm that ultraluminous infrared galaxies (ULIRGs) that contain or may contain luminous obscured active galactic nuclei (AGNs) tend to show higher HCN-to-HCO+ flux ratios than starburst galaxies, both at J = 4–3 and J = 3–2. For selected HCN-flux-enhanced AGN-important ULIRGs, our isotopologue H13CN, H13CO+, and HN13C J = 3–2 line observations suggest a higher abundance of HCN than HCO+ and HNC, which is interpreted to be primarily responsible for the elevated HCN flux in AGN-important galaxies. For such sources, the intrinsic HCN-to-HCO+ flux ratios after line opacity correction will be higher than the observed ratios, making the separation between AGNs and starbursts even larger. The signature of the vibrationally excited (v 2 = 1f) HCN J = 4–3 emission line is seen in one ULIRG, IRAS 12112‑0305 NE. P Cygni profiles are detected in the HCO+ J = 4–3 and J = 3–2 lines toward IRAS 15250+3609, with an estimated molecular outflow rate of ∼250–750 M ⊙ yr‑1. The SiO J = 6–5 line also exhibits a P Cygni profile in IRAS 12112+0305 NE, suggesting the presence of shocked outflow activity. Shock tracers are detected in many sources, suggesting ubiquitous shock activity in the nearby ULIRG population.

Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors.

PubMed

Ivanciuc, O; Ivanciuc, T; Klein, D J; Seitz, W A; Balaban, A T

2001-02-01

Quantitative structure-retention relationships (QSRR) represent statistical models that quantify the connection between the molecular structure and the chromatographic retention indices of organic compounds, allowing the prediction of retention indices of novel, not yet synthesized compounds, solely from their structural descriptors. Using multiple linear regression, QSRR models for the gas chromatographic Kováts retention indices of 129 alkylbenzenes are generated using molecular graph descriptors. The correlational ability of structural descriptors computed from 10 molecular matrices is investigated, showing that the novel reciprocal matrices give numerical indices with improved correlational ability. A QSRR equation with 5 graph descriptors gives the best calibration and prediction results, demonstrating the usefulness of the molecular graph descriptors in modeling chromatographic retention parameters. The sequential orthogonalization of descriptors suggests simpler QSRR models by eliminating redundant structural information.

Structural disorder within sendai virus nucleoprotein and phosphoprotein: insight into the structural basis of molecular recognition.

PubMed

Jensen, Malene Ringkjøbing; Bernadó, Pau; Houben, Klaartje; Blanchard, Laurence; Marion, Dominque; Ruigrok, Rob W H; Blackledge, Martin

2010-08-01

Intrinsically disordered regions of significant length are present throughout eukaryotic genomes, and are particularly prevalent in viral proteins. Due to their inherent flexibility, these proteins inhabit a conformational landscape that is too complex to be described by classical structural biology. The elucidation of the role that conformational flexibility plays in molecular function will redefine our understanding of the molecular basis of biological function, and the development of appropriate technology to achieve this aim remains one of the major challenges for the future of structural biology. NMR is the technique of choice for studying intrinsically disordered proteins, providing information about structure, flexibility and interactions at atomic resolution even in completely disordered proteins. In particular residual dipolar couplings (RDCs) are sensitive and powerful tools for determining local and long-range structural behaviour in flexible proteins. Here we describe recent applications of the use of RDCs to quantitatively describe the level of local structure in intrinsically disordered proteins involved in replication and transcription in Sendai virus.

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.

Teaching the structure of immunoglobulins by molecular visualization and SDS-PAGE analysis.

PubMed

Rižner, Tea Lanišnik

2014-01-01

This laboratory class combines molecular visualization and laboratory experimentation to teach the structure of the immunoglobulins (Ig). In the first part of the class, the three-dimensional structures of the human IgG and IgM molecules available through the RCSB PDB database are visualized using freely available software. In the second part, IgG and IgM are studied using electrophoretic methods. Through SDS-PAGE analysis under reducing conditions, the students determine the number and molecular masses of the polypeptide chains, while through SDS-PAGE under nonreducing conditions, the students assess the oligomerization of these Ig molecules. The aims of this class are to expand upon the knowledge and understanding of the Ig structure that the students have gained from classroom lectures. The combination of this molecular visualization of the Ig molecules and the SDS-PAGE experimentation ensures variety in the teaching techniques, while the implication of the Ig molecules in human disease promotes interest for biomedical students. © 2014 by The International Union of Biochemistry and Molecular Biology.

Physiochemical Characteristics and Molecular Structures for Digestible Carbohydrates of Silages.

PubMed

Refat, Basim; Prates, Luciana L; Khan, Nazir A; Lei, Yaogeng; Christensen, David A; McKinnon, John J; Yu, Peiqiang

2017-10-18

The main objectives of this study were (1) to assess the magnitude of differences among new barley silage varieties (BS) selected for varying rates of in vitro neutral detergent fiber (NDF) digestibility (ivNDFD; Cowboy BS with higher ivNDFD, Copeland BS with intermediate ivNDFD, and Xena BS with lower ivNDFD) with regard to their carbohydrate (CHO) molecular makeup, CHO chemical fractions, and rumen degradability in dairy cows in comparison with a new corn silage hybrid (Pioneer 7213R) and (2) to quantify the strength and pattern of association between the molecular structures and digestibility of carbohydrates. The carbohydrate-related molecular structure spectral data was measured using advanced vibrational molecular spectroscopy (FT/IR). In comparison to BS, corn silage showed a significantly (P < 0.05) higher level of starch and energy content and higher degradation of dry matter (DM). Cowboy BS had lower feeding value (higher indigestible fiber content and lower starch content) and lower DM degradation in the rumen compared to other BS varieties (P < 0.05). The spectral intensities of carbohydrates were significantly (P < 0.05) correlated with digestible carbohydrate content of the silages. In conclusion, the univariate approach with only one-factor consideration (ivNDFD) might not be a satisfactory method for evaluating and ranking BS quality. FT/IR molecular spectroscopy can be used to evaluate silage quality rapidly, particularly the digestible fiber content.

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.

Molecular clouds and the large-scale structure of the galaxy

NASA Technical Reports Server (NTRS)

Thaddeus, Patrick; Stacy, J. Gregory

1990-01-01

The application of molecular radio astronomy to the study of the large-scale structure of the Galaxy is reviewed and the distribution and characteristic properties of the Galactic population of Giant Molecular Clouds (GMCs), derived primarily from analysis of the Columbia CO survey, and their relation to tracers of Population 1 and major spiral features are described. The properties of the local molecular interstellar gas are summarized. The CO observing programs currently underway with the Center for Astrophysics 1.2 m radio telescope are described, with an emphasis on projects relevant to future comparison with high-energy gamma-ray observations. Several areas are discussed in which high-energy gamma-ray observations by the EGRET (Energetic Gamma-Ray Experiment Telescope) experiment aboard the Gamma Ray Observatory will directly complement radio studies of the Milky Way, with the prospect of significant progress on fundamental issues related to the structure and content of the Galaxy.

Molecular Structure and Sequence in Complex Coacervates

NASA Astrophysics Data System (ADS)

Sing, Charles; Lytle, Tyler; Madinya, Jason; Radhakrishna, Mithun

Oppositely-charged polyelectrolytes in aqueous solution can undergo associative phase separation, in a process known as complex coacervation. This results in a polyelectrolyte-dense phase (coacervate) and polyelectrolyte-dilute phase (supernatant). There remain challenges in understanding this process, despite a long history in polymer physics. We use Monte Carlo simulation to demonstrate that molecular features (charge spacing, size) play a crucial role in governing the equilibrium in coacervates. We show how these molecular features give rise to strong monomer sequence effects, due to a combination of counterion condensation and correlation effects. We distinguish between structural and sequence-based correlations, which can be designed to tune the phase diagram of coacervation. Sequence effects further inform the physical understanding of coacervation, and provide the basis for new coacervation models that take monomer-level features into account.

Molecular structure and the EPR calculation of the gas phase succinonitrile molecule

NASA Astrophysics Data System (ADS)

Kepceoǧlu, A.; Kılıç, H. Ş.; Dereli, Ö.

2017-02-01

Succinonitrile (i.e. butanedinitrile) is a colorless nitrile compound that can be used in the gel polymer batteries as a solid-state solvent electrolytes and has a plastic crystal structure. Prior to the molecular structure calculation of the succinonitrile molecule, the conformer analysis were calculated by using semi empirical method PM3 core type Hamiltonian and eight different conformer structures were determined. Molecular structure with energy related properties of these conformers having the lowest energy was calculated by using DFT (B3LYP) methods with 6-311++G(d,p) basis set. Possible radicals, can be formed experimentally, were modeled in this study. EPR parameters of these model radicals were calculated and then compared with that obtained experimentally.

Constructing molecular structures on periodic superstructure of graphene/Ru(0001)

PubMed Central

Li, Geng; Huang, Li; Xu, Wenyan; Que, Yande; Zhang, Yi; Lu, Jianchen; Du, Shixuan; Liu, Yunqi; Gao, Hong-Jun

2014-01-01

We review the way to fabricate large-scale, high-quality and single crystalline graphene epitaxially grown on Ru(0001) substrate. A moiré pattern of the graphene/Ru(0001) is formed due to the lattice mismatch between graphene and Ru(0001). This superstructure gives rise to surface charge redistribution and could behave as an ordered quantum dot array, which results in a perfect template to guide the assembly of organic molecular structures. Molecules, for example iron phthalocyanine and C60, on this template show how the molecule–substrate interaction makes different superstructures. These results show the possibility of constructing ordered molecular structures on graphene/Ru(0001), which is helpful for practical applications in the future. PMID:24615151

Spatial variation of the physical conditions of molecular gas in galaxies

NASA Technical Reports Server (NTRS)

Jackson, James M.; Eckart, Andreas; Wild, Wolfgang; Genzel, Reinhard; Harris, Andrew I.; Downes, Dennis; Jaffe, D. T.; Ho, Paul T. P.

1990-01-01

Multi-line studies of CO-12, CO-13, C-18O, HCN, and HCO(+) at 3 mm, 1.3 mm, and 0.8 mm using the Institute for Radio Astronomy in the Millimeter range (IRAM) 30 m telescope, with the IRAM superconductor insulator superconductor (SIS) receivers and the Max Planck Institute for External Physics (MPE) 350 GHz SIS receiver, show that the densities and temperatures of molecular gas in external galaxies change significantly with position. CO-12 measures the densities and temperature of diffuse interclump molecular gas, but not the bulk of the molecular gas. Simple one-component models, with or without external heating, cannot account for the weakness of the CO-12 J = 3 to 2 line relative to J = 2 to 1 and J = 1 to 0. CO-12 does not trace the bulk of the molecular gas, and optical depth effects obviate a straightforward interpretation of CO-12 data. Instead, researchers turned to the optically thin CO isotopes and other molecular species. Isotopic CO lines measure the bulk of the molecular gas, and HCN and HCO(+) pick out denser regions. Researchers find a warm ridge of gas in IC 342 (Eckart et al. 1989), denser gas in the starburst nucleus of IC 342, and a possible hot-spot in NGC 2903. In IC 342, NGC 2146, and NGC 6764, the CO-13 J = 2 to 1 line is subthermally populated, implying gas densities less than or equal to 10(exp 4) cm(-3).

2004 Reversible Associations in Structure & Molecular Biology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Edward Eisenstein Nancy Ryan Gray

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.

Ambipolar carrier transport properties and molecular packing structure of octahexyl-substituted copper phthalocyanine

NASA Astrophysics Data System (ADS)

Watanabe, Ken; Watanabe, Koichi; Tohnai, Norimitsu; Itani, Hiromichi; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

2018-04-01

The charge carrier mobility of a solution-processable low-molecular-weight organic semiconductor material, i.e., 1,4,8,11,15,18,22,25-octahexylphthalocyanine copper complex (C6PcCu), was investigated by the time-of-flight technique. The anomalous ambipolar carrier mobility was discussed from the viewpoint of the molecular packing structure, which was clarified by single-crystal X-ray structure analysis. In the comparison between the molecular packing structures of C6PcCu and its metal-free-type homologue, it was found that the difference in carrier mobility originates from the rotation of the molecule, which is caused by the steric hindrance due to the introduction of a center metal and the interpenetration of the nonperipheral alkyl chains.

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

A starburst region at the tip of the Galactic bar around l=347-350

NASA Astrophysics Data System (ADS)

Marco, Amparo; Negueruela, Ignacio; González-Fernández, Carlos; Maíz-Apellániz, Jesús; Dorda, Ricardo; Clark, J. Simon

2015-08-01

In the past few years, several clusters of red supergiants have been discovered in a small region of the Milky Way, close to the base of the Scutum-Crux Arm and the tip of the Long Bar, between l=24º and l=29º. According to the number of observed red supergiants and using population synthesis models, they must contain very large stellar populations to harbour so many RSGs, some of them being candidates to the most massive young clusters in the Galaxy. These massive open clusters are part of a huge structure most likely containing hundreds of red supergiants. These results suggest that the Scutum complex represents a giant star formation region triggered by dynamical excitation by the Galactic bar, whose tip is believed to intersect the Scutum-Crux Arm close to this region. If this scenario is correct, a similar structure would be expected close to the opposite end of the Galactic long bar. We must find in an area between l=347º-350º (these sight lines include the expected location of the far tip of the Galactic bar in the model of González-Fernández et al. (2012)) likely candidates to very massive open clusters.We are carrying out a comprehensive optical and infrared photometric and spectroscopic study of this region containing the open clusters VdBH 222, Teutsch 85 and their surroundings. We have analyzed the population of VdBH 222 and we have found a large population of luminous supergiants and OB stars. The cluster lies behind ~7.5 mag of extinction and has a probable distance of ~ 10 kpc and an age of ~12 Ma. VdBH 222 is a young massive cluster with a likely mass > 20000 Msolar. Now, we are analyzing the population of the open cluster Teutsch 85 and surroundings, finding a numerous population of supergiants.In this work, we will discuss the possible role of the Galactic bar in triggering the formation of starburst clusters.

A Self-Assisting Protein Folding Model for Teaching Structural Molecular Biology.

PubMed

Davenport, Jodi; Pique, Michael; Getzoff, Elizabeth; Huntoon, Jon; Gardner, Adam; Olson, Arthur

2017-04-04

Structural molecular biology is now becoming part of high school science curriculum thus posing a challenge for teachers who need to convey three-dimensional (3D) structures with conventional text and pictures. In many cases even interactive computer graphics does not go far enough to address these challenges. We have developed a flexible model of the polypeptide backbone using 3D printing technology. With this model we have produced a polypeptide assembly kit to create an idealized model of the Triosephosphate isomerase mutase enzyme (TIM), which forms a structure known as TIM barrel. This kit has been used in a laboratory practical where students perform a step-by-step investigation into the nature of protein folding, starting with the handedness of amino acids to the formation of secondary and tertiary structure. Based on the classroom evidence we collected, we conclude that these models are valuable and inexpensive resource for teaching structural molecular biology. Copyright © 2017 Elsevier Ltd. All rights reserved.

Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking.

PubMed

Sixto-López, Yudibeth; Bello, Martiniano; Correa-Basurto, José

2018-03-06

Histone deacetylases (HDACs) are a family of proteins whose main function is the removal of acetyl groups from lysine residues located on histone and non-histone substrates, which regulates gene transcription and other activities in cells. HDAC1 dysfunction has been implicated in cancer development and progression; thus, its inhibition has emerged as a new therapeutic strategy. Two additional metal binding sites (Site 1 and Site 2) in HDACs have been described that are primarily occupied by potassium ions, suggesting a possible structural role that affects HDAC activity. In this work, we explored the structural role of potassium ions in Site 1 and Site 2 and how they affect the interactions of compounds with high affinities for HDAC1 (AC1OCG0B, Chlamydocin, Dacinostat and Quisinostat) and SAHA (a pan-inhibitor) using molecular docking and molecular dynamics (MD) simulations in concert with a Molecular-Mechanics-Generalized-Born-Surface-Area (MMGBSA) approach. Four models were generated: one with a potassium ion (K + ) in both sites (HDAC1 k ), a second with K + only at site 1 (HDAC1 ks1 ), a third with K + only at site 2 (HDAC1 ks2 ) and a fourth with no K + (HDAC1 wk ). We found that the presence or absence of K + not only impacted the structural flexibility of HDAC1, but also its molecular recognition, consistent with experimental findings. These results could therefore be useful for further structure-based drug design studies addressing new HDAC1 inhibitors.

Machine learning for the structure-energy-property landscapes of molecular crystals.

PubMed

Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

2018-02-07

Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

Starburst Cluster Shows Celestial Fireworks

NASA Image and Video Library

2017-12-08

NASA image release June 6, 2010 Like a July 4 fireworks display a young, glittering collection of stars looks like an aerial burst. The cluster is surrounded by clouds of interstellar gas and dust - the raw material for new star formation. The nebula, located 20,000 light-years away in the constellation Carina, contains a central cluster of huge, hot stars, called NGC 3603. This environment is not as peaceful as it looks. Ultraviolet radiation and violent stellar winds have blown out an enormous cavity in the gas and dust enveloping the cluster, providing an unobstructed view of the cluster. Most of the stars in the cluster were born around the same time but differ in size, mass, temperature, and color. The course of a star's life is determined by its mass, so a cluster of a given age will contain stars in various stages of their lives, giving an opportunity for detailed analyses of stellar life cycles. NGC 3603 also contains some of the most massive stars known. These huge stars live fast and die young, burning through their hydrogen fuel quickly and ultimately ending their lives in supernova explosions. Star clusters like NGC 3603 provide important clues to understanding the origin of massive star formation in the early, distant universe. Astronomers also use massive clusters to study distant starbursts that occur when galaxies collide, igniting a flurry of star formation. The proximity of NGC 3603 makes it an excellent lab for studying such distant and momentous events. This Hubble Space Telescope image was captured in August 2009 and December 2009 with the Wide Field Camera 3 in both visible and infrared light, which trace the glow of sulfur, hydrogen, and iron. The Hubble Space Telescope is a project of international cooperation between NASA and the European Space Agency. NASA’s Goddard Space Flight Center manages the telescope. The Space Telescope Science Institute (STScI) conducts Hubble science operations. STScI is operated for NASA by the Association of

Univariate and multivariate molecular spectral analyses of lipid related molecular structural components in relation to nutrient profile in feed and food mixtures

NASA Astrophysics Data System (ADS)

Abeysekara, Saman; Damiran, Daalkhaijav; Yu, Peiqiang

2013-02-01

The objectives of this study were (i) to determine lipid related molecular structures components (functional groups) in feed combination of cereal grain (barley, Hordeum vulgare) and wheat (Triticum aestivum) based dried distillers grain solubles (wheat DDGSs) from bioethanol processing at five different combination ratios using univariate and multivariate molecular spectral analyses with infrared Fourier transform molecular spectroscopy, and (ii) to correlate lipid-related molecular-functional structure spectral profile to nutrient profiles. The spectral intensity of (i) CH3 asymmetric, CH2 asymmetric, CH3 symmetric and CH2 symmetric groups, (ii) unsaturation (Cdbnd C) group, and (iii) carbonyl ester (Cdbnd O) group were determined. Spectral differences of functional groups were detected by hierarchical cluster analysis (HCA) and principal components analysis (PCA). The results showed that the combination treatments significantly inflicted modifications (P < 0.05) in nutrient profile and lipid related molecular spectral intensity (CH2 asymmetric stretching peak height, CH2 symmetric stretching peak height, ratio of CH2 to CH3 symmetric stretching peak intensity, and carbonyl peak area). Ratio of CH2 to CH3 symmetric stretching peak intensity, and carbonyl peak significantly correlated with nutrient profiles. Both PCA and HCA differentiated lipid-related spectrum. In conclusion, the changes of lipid molecular structure spectral profiles through feed combination could be detected using molecular spectroscopy. These changes were associated with nutrient profiles and functionality.

Electron Scattering Studies of Gas Phase Molecular Structure at High Temperature

NASA Astrophysics Data System (ADS)

Mawhorter, Richard J., Jr.

A high precision counting electron diffraction study of the structure of gaseous sulfur dioxide as a function of temperature from 300(DEGREES) to 1000(DEGREES)K is presented. The results agree well with current theory, and yield insight into the effects of anharmonicity on molecular structure. Another aspect of molecular structure is the molecular charge density distribution. The difference (DELTA)(sigma) is between the electron scattering cross sections for the actual molecule and independent atom model (IAM) are a sensitive measure of the change in this distribution due to bond formation. These difference cross sections have been calculated using ab initio methods, and the results for a wide range of simple polyatomic molecules are presented. Such calculations are routinely done for a single, fixed molecular geometry, an approach which neglects the effects of the vibrational motion of real molecules. The effect of vibrational averaging is studied in detail for the three normal vibrational modes of H(,2)O in the ground state. The effects are small, lending credence to the practice of comparing cross sections calculated at a fixed geometry with inherently averaged experimental data. The efficacy of the standard formula used to account for vibrational averaging in the IAM is also examined. Finally, the nature of the ionic bond is probed with an experimental study of the structure of alkali chlorides, NaCl, KCl, RbCl, and CsCl, in the gas phase. Temperatures from 840-960(DEGREES)K were required to achieve the necessary vapor pressures of approximately 0.01 torr. A planar rhombic structure for the dimer molecule is confirmed, with a fairly uniform decrease of the chlorine-alkali-chlorine angle as the alkalis increase in size. The experiment also yields information on the amount of dimer present in the vapor, and these results are compared with thermodynamic values.

Retinal Wave Patterns Are Governed by Mutual Excitation among Starburst Amacrine Cells and Drive the Refinement and Maintenance of Visual Circuits.

PubMed

Xu, Hong-Ping; Burbridge, Timothy J; Ye, Meijun; Chen, Minggang; Ge, Xinxin; Zhou, Z Jimmy; Crair, Michael C

2016-03-30

Retinal waves are correlated bursts of spontaneous activity whose spatiotemporal patterns are critical for early activity-dependent circuit elaboration and refinement in the mammalian visual system. Three separate developmental wave epochs or stages have been described, but the mechanism(s) of pattern generation of each and their distinct roles in visual circuit development remain incompletely understood. We used neuroanatomical,in vitroandin vivoelectrophysiological, and optical imaging techniques in genetically manipulated mice to examine the mechanisms of wave initiation and propagation and the role of wave patterns in visual circuit development. Through deletion of β2 subunits of nicotinic acetylcholine receptors (β2-nAChRs) selectively from starburst amacrine cells (SACs), we show that mutual excitation among SACs is critical for Stage II (cholinergic) retinal wave propagation, supporting models of wave initiation and pattern generation from within a single retinal cell type. We also demonstrate that β2-nAChRs in SACs, and normal wave patterns, are necessary for eye-specific segregation. Finally, we show that Stage III (glutamatergic) retinal waves are not themselves necessary for normal eye-specific segregation, but elimination of both Stage II and Stage III retinal waves dramatically disrupts eye-specific segregation. This suggests that persistent Stage II retinal waves can adequately compensate for Stage III retinal wave loss during the development and refinement of eye-specific segregation. These experiments confirm key features of the "recurrent network" model for retinal wave propagation and clarify the roles of Stage II and Stage III retinal wave patterns in visual circuit development. Spontaneous activity drives early mammalian circuit development, but the initiation and patterning of activity vary across development and among modalities. Cholinergic "retinal waves" are initiated in starburst amacrine cells and propagate to retinal ganglion cells

Retinal Wave Patterns Are Governed by Mutual Excitation among Starburst Amacrine Cells and Drive the Refinement and Maintenance of Visual Circuits

PubMed Central

Xu, Hong-Ping; Burbridge, Timothy J.; Ye, Meijun; Chen, Minggang; Ge, Xinxin; Zhou, Z. Jimmy

2016-01-01

Retinal waves are correlated bursts of spontaneous activity whose spatiotemporal patterns are critical for early activity-dependent circuit elaboration and refinement in the mammalian visual system. Three separate developmental wave epochs or stages have been described, but the mechanism(s) of pattern generation of each and their distinct roles in visual circuit development remain incompletely understood. We used neuroanatomical, in vitro and in vivo electrophysiological, and optical imaging techniques in genetically manipulated mice to examine the mechanisms of wave initiation and propagation and the role of wave patterns in visual circuit development. Through deletion of β2 subunits of nicotinic acetylcholine receptors (β2-nAChRs) selectively from starburst amacrine cells (SACs), we show that mutual excitation among SACs is critical for Stage II (cholinergic) retinal wave propagation, supporting models of wave initiation and pattern generation from within a single retinal cell type. We also demonstrate that β2-nAChRs in SACs, and normal wave patterns, are necessary for eye-specific segregation. Finally, we show that Stage III (glutamatergic) retinal waves are not themselves necessary for normal eye-specific segregation, but elimination of both Stage II and Stage III retinal waves dramatically disrupts eye-specific segregation. This suggests that persistent Stage II retinal waves can adequately compensate for Stage III retinal wave loss during the development and refinement of eye-specific segregation. These experiments confirm key features of the “recurrent network” model for retinal wave propagation and clarify the roles of Stage II and Stage III retinal wave patterns in visual circuit development. SIGNIFICANCE STATEMENT Spontaneous activity drives early mammalian circuit development, but the initiation and patterning of activity vary across development and among modalities. Cholinergic “retinal waves” are initiated in starburst amacrine cells and

3D spectroscopy of merger Seyfert galaxy Mrk 334: nuclear starburst, superwind and the circumnuclear cavern

NASA Astrophysics Data System (ADS)

Smirnova, Aleksandrina; Moiseev, Alexei

2010-01-01

We are presenting new results on kinematics and structure of the Mrk 334 Seyfert galaxy. Panoramic (3D) spectroscopy is performed at the 6-m telescope of the Special Astrophysical Observatory of the Russian Academy of Sciences using the integral-field Multi-Pupil Fiber Spectrograph (MPFS) and scanning Fabry-Pérot interferometer. The deep images have revealed that Mrk 334 is observed during the final stage of its merging with a massive companion. A possible mass ratio ranges from 1/5 to 1/3. The merger has triggered mass redistribution in the disc resulting in an intensification of nuclear activity and in a burst of star formation in the inner region of the galaxy. The circumnuclear starburst is so intense that its contribution to the gas ionization exceeds that contribution of the active galactic nuclei (AGN). We interpret the nuclear gas outflow with velocities of ~200kms-1 as a galactic superwind that accompanies the violent star formation. This suggestion is consistent with the asymmetric X-ray brightness distribution in Mrk 334. The trajectory of the fragments of the disrupted satellite in the vicinity of the main galaxy nucleus can be traced. In the galaxy disc, a cavern is found that is filled with a low-density ionized gas. We consider this region to be the place where the remnants of the companion have recently penetrated through the gaseous disc of the main galaxy.

FlaME: Flash Molecular Editor - a 2D structure input tool for the web.

PubMed

Dallakian, Pavel; Haider, Norbert

2011-02-01

So far, there have been no Flash-based web tools available for chemical structure input. The authors herein present a feasibility study, aiming at the development of a compact and easy-to-use 2D structure editor, using Adobe's Flash technology and its programming language, ActionScript. As a reference model application from the Java world, we selected the Java Molecular Editor (JME). In this feasibility study, we made an attempt to realize a subset of JME's functionality in the Flash Molecular Editor (FlaME) utility. These basic capabilities are: structure input, editing and depiction of single molecules, data import and export in molfile format. The result of molecular diagram sketching in FlaME is accessible in V2000 molfile format. By integrating the molecular editor into a web page, its communication with the HTML elements on this page is established using the two JavaScript functions, getMol() and setMol(). In addition, structures can be copied to the system clipboard. A first attempt was made to create a compact single-file application for 2D molecular structure input/editing on the web, based on Flash technology. With the application examples presented in this article, it could be demonstrated that the Flash methods are principally well-suited to provide the requisite communication between the Flash object (application) and the HTML elements on a web page, using JavaScript functions.

Estimating Grass-Soil Bioconcentration of Munitions Compounds from Molecular Structure.

PubMed

Torralba Sanchez, Tifany L; Liang, Yuzhen; Di Toro, Dominic M

2017-10-03

A partitioning-based model is presented to estimate the bioconcentration of five munitions compounds and two munition-like compounds in grasses. The model uses polyparameter linear free energy relationships (pp-LFERs) to estimate the partition coefficients between soil organic carbon and interstitial water and between interstitial water and the plant cuticle, a lipid-like plant component. Inputs for the pp-LFERs are a set of numerical descriptors computed from molecular structure only that characterize the molecular properties that determine the interaction with soil organic carbon, interstitial water, and plant cuticle. The model is validated by predicting concentrations measured in the whole plant during independent uptake experiments with a root-mean-square error (log predicted plant concentration-log observed plant concentration) of 0.429. This highlights the dominant role of partitioning between the exposure medium and the plant cuticle in the bioconcentration of these compounds. The pp-LFERs can be used to assess the environmental risk of munitions compounds and munition-like compounds using only their molecular structure as input.

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.

Molecular basis of quantitative structure-properties relationships (QSPR): a quantum similarity approach.

PubMed

Ponec, R; Amat, L; Carbó-Dorca, R

1999-05-01

Since the dawn of quantitative structure-properties relationships (QSPR), empirical parameters related to structural, electronic and hydrophobic molecular properties have been used as molecular descriptors to determine such relationships. Among all these parameters, Hammett sigma constants and the logarithm of the octanol-water partition coefficient, log P, have been massively employed in QSPR studies. In the present paper, a new molecular descriptor, based on quantum similarity measures (QSM), is proposed as a general substitute of these empirical parameters. This work continues previous analyses related to the use of QSM to QSPR, introducing molecular quantum self-similarity measures (MQS-SM) as a single working parameter in some cases. The use of MQS-SM as a molecular descriptor is first confirmed from the correlation with the aforementioned empirical parameters. The Hammett equation has been examined using MQS-SM for a series of substituted carboxylic acids. Then, for a series of aliphatic alcohols and acetic acid esters, log P values have been correlated with the self-similarity measure between density functions in water and octanol of a given molecule. And finally, some examples and applications of MQS-SM to determine QSAR are presented. In all studied cases MQS-SM appeared to be excellent molecular descriptors usable in general QSPR applications of chemical interest.

Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach

NASA Astrophysics Data System (ADS)

Ponec, Robert; Amat, Lluís; Carbó-dorca, Ramon

1999-05-01

Since the dawn of quantitative structure-properties relationships (QSPR), empirical parameters related to structural, electronic and hydrophobic molecular properties have been used as molecular descriptors to determine such relationships. Among all these parameters, Hammett σ constants and the logarithm of the octanol- water partition coefficient, log P, have been massively employed in QSPR studies. In the present paper, a new molecular descriptor, based on quantum similarity measures (QSM), is proposed as a general substitute of these empirical parameters. This work continues previous analyses related to the use of QSM to QSPR, introducing molecular quantum self-similarity measures (MQS-SM) as a single working parameter in some cases. The use of MQS-SM as a molecular descriptor is first confirmed from the correlation with the aforementioned empirical parameters. The Hammett equation has been examined using MQS-SM for a series of substituted carboxylic acids. Then, for a series of aliphatic alcohols and acetic acid esters, log P values have been correlated with the self-similarity measure between density functions in water and octanol of a given molecule. And finally, some examples and applications of MQS-SM to determine QSAR are presented. In all studied cases MQS-SM appeared to be excellent molecular descriptors usable in general QSPR applications of chemical interest.

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.

THE MOLECULAR WIND IN THE NEAREST SEYFERT GALAXY CIRCINUS REVEALED BY ALMA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zschaechner, Laura K.; Walter, Fabian; Farina, Emanuele P.

2016-12-01

We present ALMA observations of the inner 1′ (1.2 kpc) of the Circinus galaxy, the nearest Seyfert. We target CO (1–0) in the region associated with a well-known multiphase outflow driven by the central active galactic nucleus (AGN). While the geometry of Circinus and its outflow make disentangling the latter difficult, we see indications of outflowing molecular gas at velocities consistent with the ionized outflow. We constrain the mass of the outflowing molecular gas to be 1.5 × 10{sup 5}−5.1 × 10{sup 6} M {sub ⊙}, yielding a molecular outflow rate of 0.35–12.3 M {sub ⊙} yr{sup −1}. The values within this range aremore » comparable to the star formation (SF) rate in Circinus, indicating that the outflow indeed regulates SF to some degree. The molecular outflow in Circinus is considerably lower in mass and energetics than previously studied AGN-driven outflows, especially given its high ratio of AGN luminosity to bolometric luminosity. The molecular outflow in Circinus is, however, consistent with some trends put forth by Cicone et al., including a linear relation between kinetic power and AGN luminosity, as well as its momentum rate versus bolometric luminosity (although the latter places Circinus among the starburst galaxies in that sample). We detect additional molecular species including CN and C{sup 17}O.« less

Predicting activation energy of thermolysis of polynitro arenes through molecular structure.

PubMed

Keshavarz, Mohammad Hossein; Pouretedal, Hamid Reza; Shokrolahi, Arash; Zali, Abbas; Semnani, Abolfazl

2008-12-15

The paper presents a new method for activation energy or the Arrhenius parameter E(a) of the thermolysis in the condensed state for different polynitro arenes as an important class of energetic molecules. The methodology assumes that E(a) of a polynitro arene with general formula C(a)H(b)N(c)O(d) can be expressed as a function of optimized elemental composition as well as the contribution of specific molecular structural parameters. The new method can predict E(a) of the thermolysis under conditions of Soviet Manometric Method (SMM), which can be related to the other convenient methods. The new correlation has the root mean square (rms) and the average deviations of 13.79 and 11.94kJ/mol, respectively, for 20 polynitro arenes with different molecular structures. The proposed new method can also be used to predict E(a) of three polynitro arenes, i.e. 2,2',2'',4,4',4'',6,6',6''-nonanitro-1,1':3',1''-terphenyl (NONA), 3,3'-diamino-2,2',4,4',6,6'-hexanitro-1,1'-biphenyl-3,3'-diamine (DIPAM) and N,N-bis(2,4-dinitrophenyl)-2,4,6-trinitroaniline (NTFA), which have complex molecular structures.

Structure Controlled Long-Range Sequential Tunneling in Carbon-Based Molecular Junctions.

PubMed

Morteza Najarian, Amin; McCreery, Richard L

2017-04-25

Carbon-based molecular junctions consisting of aromatic oligomers between conducting sp 2 hybridized carbon electrodes exhibit structure-dependent current densities (J) when the molecular layer thickness (d) exceeds ∼5 nm. All four of the molecular structures examined exhibit an unusual, nonlinear ln J vs bias voltage (V) dependence which is not expected for conventional coherent tunneling or activated hopping mechanisms. All molecules exhibit a weak temperature dependence, with J increasing typically by a factor of 2 over the range of 200-440 K. Fluorene and anthraquinone show linear plots of ln J vs d with nearly identical J values for the range d = 3-10 nm, despite significant differences in their free-molecule orbital energy levels. The observed current densities for anthraquinone, fluorene, nitroazobenzene, and bis-thienyl benzene for d = 7-10 nm show no correlation with occupied (HOMO) or unoccupied (LUMO) molecular orbital energies, contrary to expectations for transport mechanisms based on the offset between orbital energies and the electrode Fermi level. UV-vis absorption spectroscopy of molecular layers bonded to carbon electrodes revealed internal energy levels of the chemisorbed films and also indicated limited delocalization in the film interior. The observed current densities correlate well with the observed UV-vis absorption maxima for the molecular layers, implying a transport mechanism determined by the HOMO-LUMO energy gap. We conclude that transport in carbon-based aromatic molecular junctions is consistent with multistep tunneling through a barrier defined by the HOMO-LUMO gap, and not by charge transport at the electrode interfaces. In effect, interfacial "injection" at the molecule/electrode interfaces is not rate limiting due to relatively strong electronic coupling, and transport is controlled by the "bulk" properties of the molecular layer interior.

Univariate and multivariate molecular spectral analyses of lipid related molecular structural components in relation to nutrient profile in feed and food mixtures.

PubMed

Abeysekara, Saman; Damiran, Daalkhaijav; Yu, Peiqiang

2013-02-01

The objectives of this study were (i) to determine lipid related molecular structures components (functional groups) in feed combination of cereal grain (barley, Hordeum vulgare) and wheat (Triticum aestivum) based dried distillers grain solubles (wheat DDGSs) from bioethanol processing at five different combination ratios using univariate and multivariate molecular spectral analyses with infrared Fourier transform molecular spectroscopy, and (ii) to correlate lipid-related molecular-functional structure spectral profile to nutrient profiles. The spectral intensity of (i) CH(3) asymmetric, CH(2) asymmetric, CH(3) symmetric and CH(2) symmetric groups, (ii) unsaturation (CC) group, and (iii) carbonyl ester (CO) group were determined. Spectral differences of functional groups were detected by hierarchical cluster analysis (HCA) and principal components analysis (PCA). The results showed that the combination treatments significantly inflicted modifications (P<0.05) in nutrient profile and lipid related molecular spectral intensity (CH(2) asymmetric stretching peak height, CH(2) symmetric stretching peak height, ratio of CH(2) to CH(3) symmetric stretching peak intensity, and carbonyl peak area). Ratio of CH(2) to CH(3) symmetric stretching peak intensity, and carbonyl peak significantly correlated with nutrient profiles. Both PCA and HCA differentiated lipid-related spectrum. In conclusion, the changes of lipid molecular structure spectral profiles through feed combination could be detected using molecular spectroscopy. These changes were associated with nutrient profiles and functionality. Copyright © 2012 Elsevier B.V. All rights reserved.

Fine- and hyperfine-structure effects in molecular photoionization. II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch

2016-07-28

Resonance-enhanced multiphoton ionization (REMPI) is a widely used technique for studying molecular photoionization and producing molecular cations for spectroscopy and dynamics studies. Here, we present a model for describing hyperfine-structure effects in the REMPI process and for predicting hyperfine populations in molecular ions produced by this method. This model is a generalization of our model for fine- and hyperfine-structure effects in one-photon ionization of molecules presented in Paper I [M. Germann and S. Willitsch, J. Chem. Phys. 145, 044314 (2016)]. This generalization is achieved by covering two main aspects: (1) treatment of the neutral bound-bound transition including the hyperfine structuremore » that makes up the first step of the REMPI process and (2) modification of our ionization model to account for anisotropic populations resulting from this first excitation step. Our findings may be used for analyzing results from experiments with molecular ions produced by REMPI and may serve as a theoretical background for hyperfine-selective ionization experiments.« less

Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bibby, Jaclyn; Keegan, Ronan M.; Mayans, Olga

2013-11-01

Processing of NMR structures for molecular replacement by AMPLE works well. AMPLE is a program developed for clustering and truncating ab initio protein structure predictions into search models for molecular replacement. Here, it is shown that its core cluster-and-truncate methods also work well for processing NMR ensembles into search models. Rosetta remodelling helps to extend success to NMR structures bearing low sequence identity or high structural divergence from the target protein. Potential future routes to improved performance are considered and practical, general guidelines on using AMPLE are provided.

Structural analysis, molecular docking and molecular dynamics of an edematogenic lectin from Centrolobium microchaete seeds.

PubMed

Neco, Antonio Hadson Bastos; Pinto-Junior, Vanir Reis; Araripe, David Alencar; Santiago, Mayara Queiroz; Osterne, Vinicius Jose Silva; Lossio, Claudia Figueiredo; Nobre, Clareane Avelino Simplicio; Oliveira, Messias Vital; Silva, Mayara Torquato Lima; Martins, Maria Gleiciane Queiroz; Cajazeiras, Joao Batista; Marques, Gabriela Fernandes Oliveira; Costa, Diego Rabelo; Nascimento, Kyria Santiago; Assreuy, Ana Maria Sampaio; Cavada, Benildo Sousa

2018-05-24

Lectins represent a class of proteins or glycoproteins capable of reversibly binding to carbohydrates. Seed lectins from the Dalbergieae tribe (Leguminosae) have structural variability, carbohydrate specificity, and biological effects, such as inflammation, vasorelaxation and cancer antigen binding. To comprehensively address these factors, the present work aimed to establish and characterize the three-dimensional structure of Centrolobium microchaete lectin (CML) by homology modeling, investigate protein-carbohydrate interactions and evaluate its inflammatory effect on mice. Molecular docking was performed to analyze interactions of the lectin with monosaccharides, disaccharides and N-glycans. Two dimannosides, methyl mannose-1,3-α-D-mannose (MDM) and mannose-1,3-α-D-mannose (M13), were used in molecular dynamics (MD) simulations to study the behavior of the carbohydrate-recognition domain (CRD) over time. Results showed an expanded domain within which hydrophobic interactions with the methyl group in the MDM molecule were established, thus revealing novel interactions for mannose-specific Dalbergieae lectins. To examine its biological activities, CML was purified in a single step by affinity chromatography on Sepharose-mannose matrix. The lectin demonstrated inflammatory response in the paw edema model and stimulated leukocyte migration to the animal peritoneal cavities, an effect elicited by CRD. For the first time, this work reports the molecular dynamics of a lectin from the Dalbergieae tribe. Copyright © 2018 Elsevier B.V. All rights reserved.

FlaME: Flash Molecular Editor - a 2D structure input tool for the web

PubMed Central

2011-01-01

Background So far, there have been no Flash-based web tools available for chemical structure input. The authors herein present a feasibility study, aiming at the development of a compact and easy-to-use 2D structure editor, using Adobe's Flash technology and its programming language, ActionScript. As a reference model application from the Java world, we selected the Java Molecular Editor (JME). In this feasibility study, we made an attempt to realize a subset of JME's functionality in the Flash Molecular Editor (FlaME) utility. These basic capabilities are: structure input, editing and depiction of single molecules, data import and export in molfile format. Implementation The result of molecular diagram sketching in FlaME is accessible in V2000 molfile format. By integrating the molecular editor into a web page, its communication with the HTML elements on this page is established using the two JavaScript functions, getMol() and setMol(). In addition, structures can be copied to the system clipboard. Conclusion A first attempt was made to create a compact single-file application for 2D molecular structure input/editing on the web, based on Flash technology. With the application examples presented in this article, it could be demonstrated that the Flash methods are principally well-suited to provide the requisite communication between the Flash object (application) and the HTML elements on a web page, using JavaScript functions. PMID:21284863

Structure of sulfamidase provides insight into the molecular pathology of mucopolysaccharidosis IIIA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sidhu, Navdeep S.; University of Göttingen, Tammannstrasse 4, 37077 Göttingen; Schreiber, Kathrin

2014-05-01

Mucopolysaccharidosis IIIA is a fatal neurodegenerative disease that typically manifests itself in childhood and is caused by mutations in the gene for the lysosomal enzyme sulfamidase. The first structure of this enzyme is presented, which provides insight into the molecular basis of disease-causing mutations, and the enzymatic mechanism is proposed. Mucopolysaccharidosis type IIIA (Sanfilippo A syndrome), a fatal childhood-onset neurodegenerative disease with mild facial, visceral and skeletal abnormalities, is caused by an inherited deficiency of the enzyme N-sulfoglucosamine sulfohydrolase (SGSH; sulfamidase). More than 100 mutations in the SGSH gene have been found to reduce or eliminate its enzymatic activity. However,more » the molecular understanding of the effect of these mutations has been confined by a lack of structural data for this enzyme. Here, the crystal structure of glycosylated SGSH is presented at 2 Å resolution. Despite the low sequence identity between this unique N-sulfatase and the group of O-sulfatases, they share a similar overall fold and active-site architecture, including a catalytic formylglycine, a divalent metal-binding site and a sulfate-binding site. However, a highly conserved lysine in O-sulfatases is replaced in SGSH by an arginine (Arg282) that is positioned to bind the N-linked sulfate substrate. The structure also provides insight into the diverse effects of pathogenic mutations on SGSH function in mucopolysaccharidosis type IIIA and convincing evidence for the molecular consequences of many missense mutations. Further, the molecular characterization of SGSH mutations will lay the groundwork for the development of structure-based drug design for this devastating neurodegenerative disorder.« less

The effect of glycosylation on the transferrin structure: A molecular dynamic simulation analysis.

PubMed

Ghanbari, Z; Housaindokht, M R; Bozorgmehr, M R; Izadyar, M

2016-09-07

Transferrins have been defined by the highly cooperative binding of iron and a carbonate anion to form a Fe-CO3-Tf ternary complex. As such, the layout of the binding site residues affects transferrin function significantly; In contrast to N-lobe, C-lobe binding site of the transferrin structure has been less characterized and little research which surveyed the interaction of carbonate with transferrin in the C-lobe binding site has been found. In the present work, molecular dynamic simulation was employed to gain access into the molecular level understanding of carbonate binding site and their interactions in each lobe. Residues responsible for carbonate binding of transferrin structure were pointed out. In addition, native human transferrin is a glycoprotein that two N-linked complex glycan chains located in the C-lobe. Usually, in the molecular dynamic simulation for simplifying, glycan is removed from the protein structure. Here, we explore the effect of glycosylation on the transferrin structure. Glycosylation appears to have an effect on the layout of the binding site residue and transferrin structure. On the other hand, sometimes the entire transferrin formed by separated lobes that it allows the results to be interpreted in a straightforward manner rather than more parameters required for full length protein. But, it should be noted that there are differences between the separated lobe and full length transferrin, hence, a comparative analysis by the molecular dynamic simulation was performed to investigate such structural variations. Results revealed that separation in C-lobe caused a significant structural variation in comparison to N-lobe. Consequently, the separated lobes and the full length one are different, showing the importance of the interlobe communication and the impact of the lobes on each other in the transferrin structure. Copyright © 2016 Elsevier Ltd. All rights reserved.

Learning Molecular Structures in a Tangible Augmented Reality Environment

ERIC Educational Resources Information Center

Asai, Kikuo; Takase, Norio

2011-01-01

This article presents the characteristics of using a tangible table top environment produced by augmented reality (AR), aimed at improving the environment in which learners observe three-dimensional molecular structures. The authors perform two evaluation experiments. A performance test for a user interface demonstrates that learners with a…

Structure and atomic correlations in molecular systems probed by XAS reverse Monte Carlo refinement

NASA Astrophysics Data System (ADS)

Di Cicco, Andrea; Iesari, Fabio; Trapananti, Angela; D'Angelo, Paola; Filipponi, Adriano

2018-03-01

The Reverse Monte Carlo (RMC) algorithm for structure refinement has been applied to x-ray absorption spectroscopy (XAS) multiple-edge data sets for six gas phase molecular systems (SnI2, CdI2, BBr3, GaI3, GeBr4, GeI4). Sets of thousands of molecular replicas were involved in the refinement process, driven by the XAS data and constrained by available electron diffraction results. The equilibrated configurations were analysed to determine the average tridimensional structure and obtain reliable bond and bond-angle distributions. Detectable deviations from Gaussian models were found in some cases. This work shows that a RMC refinement of XAS data is able to provide geometrical models for molecular structures compatible with present experimental evidence. The validation of this approach on simple molecular systems is particularly important in view of its possible simple extension to more complex and extended systems including metal-organic complexes, biomolecules, or nanocrystalline systems.

Structural Characterization of the Trimerization of TRAF6 Protein Through Molecular Dynamics Simulations.

PubMed

Biswas, Ria; Bagchi, Angshuman

2017-09-11

The tumour necrosis factor (TNF) receptor-associated factor (TRAF) family of proteins having E3 ligase activity are the key molecules involved in cellular immune response pathways. TRAF6 is a unique member of the TRAF superfamily differing from other members of the family, owing to its specific interactions with molecules outside the TNF receptor superfamily. The C-terminal domain of TRAF proteins contains the catalytic residues and are known to be involved in self-oligomerization forming a mushroom-shaped trimeric structure, which is the functional form of the protein. However, the monomeric crystal structure of TRAF6 C-terminal domain has been already determined, but the trimeric structure of the same is still not available. We here applied computational structural modelling and molecular dynamics simulations studies to get insights into the molecular interactions involved in determining the trimeric structure of the TRAF6 C-terminal domain. The non-availability of the trimeric structure of the TRAF6 C-terminal domain prevented the elucidation of the molecular mechanism of many different biological processes. Our results suggest that the trimer complex is transient in nature. The amino acid residues Lys340 and Glu345 in the coiled coil domain in the C-terminus of TRAF6 play a critical role in trimer structure formation. This structural modelling study may therefore be utilized to obtain the experimentally validated trimeric structure of this important protein.

Fragment-Based Electronic Structure Approach for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals.

PubMed

Hartman, Joshua D; Beran, Gregory J O

2014-11-11

First-principles chemical shielding tensor predictions play a critical role in studying molecular crystal structures using nuclear magnetic resonance. Fragment-based electronic structure methods have dramatically improved the ability to model molecular crystal structures and energetics using high-level electronic structure methods. Here, a many-body expansion fragment approach is applied to the calculation of chemical shielding tensors in molecular crystals. First, the impact of truncating the many-body expansion at different orders and the role of electrostatic embedding are examined on a series of molecular clusters extracted from molecular crystals. Second, the ability of these techniques to assign three polymorphic forms of the drug sulfanilamide to the corresponding experimental (13)C spectra is assessed. This challenging example requires discriminating among spectra whose (13)C chemical shifts differ by only a few parts per million (ppm) across the different polymorphs. Fragment-based PBE0/6-311+G(2d,p) level chemical shielding predictions correctly assign these three polymorphs and reproduce the sulfanilamide experimental (13)C chemical shifts with 1 ppm accuracy. The results demonstrate that fragment approaches are competitive with the widely used gauge-invariant projector augmented wave (GIPAW) periodic density functional theory calculations.

Interferometric imaging of the high-redshift radio galaxy, 4C60.07: an SMA, Spitzer and VLA study reveals a binary AGN/starburst

NASA Astrophysics Data System (ADS)

Ivison, R. J.; Morrison, G. E.; Biggs, A. D.; Smail, Ian; Willner, S. P.; Gurwell, M. A.; Greve, T. R.; Stevens, J. A.; Ashby, M. L. N.

2008-11-01

High-resolution submillimetre (submm) imaging of the high-redshift radio galaxy (HzRG), 4C60.07, at z = 3.8, has revealed two dusty components of roughly equal integrated flux. Spitzer imaging shows that one of these components (`B') is coincident with an extremely red active galactic nucleus (AGN), offset by ~4arcsec (~30kpc) from the HzRG core. The other submm component (`A') - resolved by our synthesized beam and devoid of emission at 3.6-8.0μm - lies between `B' and the HzRG core. Since the radio galaxy was discovered via its extremely young, steep-spectrum radio lobes and the creation of these lobes was likely triggered by the interaction, we argue that we are witnessing an early-stage merger, prior to its eventual equilibrium state. The interaction is between the host galaxy of an actively fuelled black hole (BH) and a gas-rich starburst/AGN (`B') marked by the compact submm component and coincident with broad CO(4-3) emission. The second submm component (`A') is a plume of cold, dusty gas, associated with a narrow (~150kms-1) CO feature, and may represent a short-lived tidal structure. It has been claimed that HzRGs and submillimetre-selected galaxies (SMGs) differ only in the activity of their AGNs, but such complex submm morphologies are seen only rarely amongst SMGs, which are usually older, more relaxed systems. Our study has important implications: where a galaxy's gas reservoir is not aligned with its central BH, CO may be an unreliable probe of dynamical mass, affecting work on the co-assembly of BHs and host spheroids. Our data support the picture wherein close binary AGN are induced by mergers. They also raise the possibility that some supposedly jet-induced starbursts may have formed co-evally (yet independently of) the radio jets, both triggered by the same interaction. Finally, we note that the HzRG host would have gone unnoticed without its jets and its companion, so there may be many other unseen BHs at high redshift, lost in the sea of ~5 �

The Effects of Molecular Crowding on the Structure and Stability of G-Quadruplexes with an Abasic Site

PubMed Central

Fujimoto, Takeshi; Nakano, Shu-ichi; Miyoshi, Daisuke; Sugimoto, Naoki

2011-01-01

Both cellular environmental factors and chemical modifications critically affect the properties of nucleic acids. However, the structure and stability of DNA containing abasic sites under cell-mimicking molecular crowding conditions remain unclear. Here, we investigated the molecular crowding effects on the structure and stability of the G-quadruplexes including a single abasic site. Structural analysis by circular dichroism showed that molecular crowding by PEG200 did not affect the topology of the G-quadruplex structure with or without an abasic site. Thermodynamic analysis further demonstrated that the degree of stabilization of the G-quadruplex by molecular crowding decreased with substitution of an abasic site for a single guanine. Notably, we found that the molecular crowding effects on the enthalpy change for G-quadruplex formation had a linear relationship with the abasic site effects depending on its position. These results are useful for predicting the structure and stability of G-quadruplexes with abasic sites in the cell-mimicking conditions. PMID:21949901

Effects of molecular structure on microscopic heat transport in chain polymer liquids.

PubMed

Matsubara, Hiroki; Kikugawa, Gota; Bessho, Takeshi; Yamashita, Seiji; Ohara, Taku

2015-04-28

In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7Tc) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the new concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs.

The Vertex Version of Weighted Wiener Number for Bicyclic Molecular Structures

PubMed Central

Gao, Wei

2015-01-01

Graphs are used to model chemical compounds and drugs. In the graphs, each vertex represents an atom of molecule and edges between the corresponding vertices are used to represent covalent bounds between atoms. We call such a graph, which is derived from a chemical compound, a molecular graph. Evidence shows that the vertex-weighted Wiener number, which is defined over this molecular graph, is strongly correlated to both the melting point and boiling point of the compounds. In this paper, we report the extremal vertex-weighted Wiener number of bicyclic molecular graph in terms of molecular structural analysis and graph transformations. The promising prospects of the application for the chemical and pharmacy engineering are illustrated by theoretical results achieved in this paper. PMID:26640513

3D-HST Grism Spectroscopy of a Gravitationally Lensed, Low-metallicity Starburst Galaxy at z = 1.847

NASA Astrophysics Data System (ADS)

Brammer, Gabriel B.; Sánchez-Janssen, Rubén; Labbé, Ivo; da Cunha, Elisabete; Erb, Dawn K.; Franx, Marijn; Fumagalli, Mattia; Lundgren, Britt; Marchesini, Danilo; Momcheva, Ivelina; Nelson, Erica; Patel, Shannon; Quadri, Ryan; Rix, Hans-Walter; Skelton, Rosalind E.; Schmidt, Kasper B.; van der Wel, Arjen; van Dokkum, Pieter G.; Wake, David A.; Whitaker, Katherine E.

2012-10-01

We present Hubble Space Telescope (HST) imaging and spectroscopy of the gravitational lens SL2SJ02176-0513, a cusp arc at z = 1.847. The UV continuum of the lensed galaxy is very blue, which is seemingly at odds with its redder optical colors. The 3D-HST WFC3/G141 near-infrared spectrum of the lens reveals the source of this discrepancy to be extremely strong [O III] λ5007 and Hβ emission lines with rest-frame equivalent widths of 2000 ± 100 and 520 ± 40 Å, respectively. The source has a stellar mass ~108 M ⊙, sSFR ~ 100 Gyr-1, and detection of [O III] λ4363 yields a metallicity of 12 + log (O/H) = 7.5 ± 0.2. We identify local blue compact dwarf analogs to SL2SJ02176-0513, which are among the most metal-poor galaxies in the Sloan Digital Sky Survey. The local analogs resemble the lensed galaxy in many ways, including UV/optical spectral energy distribution, spatial morphology, and emission line equivalent widths and ratios. Common to SL2SJ02176-0513 and its local counterparts is an upturn at mid-IR wavelengths likely arising from hot dust heated by starbursts. The emission lines of SL2SJ02176-0513 are spatially resolved owing to the combination of the lens and the high spatial resolution of HST. The lensed galaxy is composed of two clumps with combined size re ~300 pc, and we resolve significant differences in UV color and emission line equivalent width between them. Though it has characteristics occasionally attributed to active galactic nuclei, we conclude that SL2SJ02176-0513 is a low-metallicity star-bursting dwarf galaxy. Such galaxies will be found in significant numbers in the full 3D-HST grism survey. Based on observations made with the NASA/ESA Hubble Space Telescope, program 12328, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.

The wavelet transform as an analysis tool for structure identification in molecular clouds

NASA Astrophysics Data System (ADS)

Gill, Arnold Gerald

1993-01-01

Of the many methods used to attempt to understand the complex structure of giant molecular clouds, perhaps the most commonly used are the autocorrelation functions (ACF), the structure function, and the power spectrum. However, these do not give unique interpretations of structure, as is shown by explicit examples compared to the Taurus Molecular Complex. Thus, another, independent method of analysis is indicated. Here, the wavelet transform is presented, a relatively new technique less than 10 years old. It can be thought of as a band-pass filter that identifies structures of specific sizes. In addition, its mathematical properties allow it to be used to identify fractal structures and accurately identify the scaling exponent. This is shown by the wavelet transform identifying the fractal dimension of a hierarchical rain cloud model first proposed by Frisch et al. (1978). A wavelet analysis is then carried out for a range of astronomical CO data, including the clouds Orion A and B and NGC 7538 (in (12)CO) and Orion A and B, Mon R2, and L1551 (in (13)CO). The data analyzed consists of the velocities of the fitted Gaussians to the individual spectra, the halfwidths and amplitude of these Gaussians, and the total area of the spectral line. For most of the clouds investigated, each of these data types showed a very high degree of scaling coherence over a wide range of scales, from down at the beam spacing up to the full size of the cloud. The analysis carried out uses both the scaling and structure identification strengths of the wavelet transform The fragmentation parameters used by Scalo (1985) and the parameters of the geometric molecular cloud description introduced by Henriksen (1986) are calculated for each cloud. These results are all consistent with previous observations of these and other molecular clouds, though they are obtained individually for each cloud investigated. It is found that the uncertainties are of a magnitude that the differentiation of

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.

Prediction of clathrate structure type and guest position by molecular mechanics.

PubMed

Fleischer, Everly B; Janda, Kenneth C

2013-05-16

The clathrate hydrates occur in various types in which the number, size, and shape of the various cages differ. Usually the clathrate type of a specific guest is predicted by the size and shape of the molecular guest. We have developed a methodology to determine the clathrate type employing molecular mechanics with the MMFF force field employing a strategy to calculate the energy of formation of the clathrate from the sum of the guest/cage energies. The clathrate type with the most negative (most stable) energy of formation would be the type predicted (we mainly focused on type I, type II, or bromine type). This strategy allows for a calculation to predict the clathrate type for any cage guest in a few minutes on a laptop computer. It proved successful in predicting the clathrate structure for 46 out of 47 guest molecules. The molecular mechanics calculations also provide a prediction of the guest position within the cage and clathrate structure. These predictions are generally consistent with the X-ray and neutron diffraction studies. By supplementing the diffraction study with molecular mechanics, we gain a more detailed insight regarding the details of the structure. We have also compared MM calculations to studies of the multiple occupancy of the cages. Finally, we present a density functional calculation that demonstrates that the inside of the clathrates cages have a relatively uniform and low electrostatic potential in comparison with the outside oxygen and hydrogen atoms. This implies that van der Waals forces will usually be dominant in the guest-cage interactions.

MOLECULAR INTERACTION POTENTIALS FOR THE DEVELOPMENT OF STRUCTURE-ACTIVITY RELATIONSHIPS

EPA Science Inventory

Abstract
One reasonable approach to the analysis of the relationships between molecular structure and toxic activity is through the investigation of the forces and intermolecular interactions responsible for chemical toxicity. The interaction between the xenobiotic and the bio...

Photoionization-regulated star formation and the structure of molecular clouds

NASA Technical Reports Server (NTRS)

Mckee, Christopher F.

1989-01-01

A model for the rate of low-mass star formation in Galactic molecular clouds and for the influence of this star formation on the structure and evolution of the clouds is presented. The rate of energy injection by newly formed stars is estimated, and the effect of this energy injection on the size of the cloud is determined. It is shown that the observed rate of star formation appears adequate to support the observed clouds against gravitational collapse. The rate of photoionization-regulated star formation is estimated and it is shown to be in agreement with estimates of the observed rate of star formation if the observed molecular cloud parameters are used. The mean cloud extinction and the Galactic star formation rate per unit mass of molecular gas are predicted theoretically from the condition that photionization-regulated star formation be in equilibrium. A simple model for the evolution of isolated molecular clouds is developed.

Molecular modeling and molecular dynamics simulations based structural analysis of the SG2NA protein variants.

PubMed

Soni, Sangeeta; Tyagi, Chetna; Grover, Abhinav; Goswami, Shyamal K

2014-07-11

SG2NA is a member of the striatin sub-family of WD-40 repeat proteins. Striatin family members have been associated with diverse physiological functions. SG2NA has also been shown to have roles in cell cycle progression, signal transduction etc. They have been known to interact with a number of proteins including Caveolin and Calmodulin and also propagate the formation of a multimeric protein unit called striatin-interacting phosphatase and kinase. As a pre-requisite for such interaction ability, these proteins are known to be unstable and primarily disordered in their arrangement. Earlier we had identified that it has multiple isoforms (namely 35, 78, 87 kDa based on its molecular weight) which are generated by alternative splicing. However, detailed structural information of SG2NA is still eluding the researchers. This study was aimed towards three-dimensional molecular modeling and characterization of SG2NA protein and its isoforms. One structure out of five was selected for each variant having the least value for C score. Out of these, m35 kDa with a C score value of -3.21 was the most poorly determined structure in comparison to m78 kDa and m87 kDa variants with C scores of -1.16 and -1.97 respectively. Further evaluation resulted in about 61.6% residues of m35 kDa, 76.6% residues of m78 kDa and 72.1% residues of m87 kDa falling in the favorable regions of Ramchandran Plot. Molecular dynamics simulations were also carried out to obtain biologically relevant structural models and compared with previous atomic coordinates. N-terminal region of all variants was found to be highly disordered. This study provides first-hand detailed information to understand the structural conformation of SG2NA protein variants (m35 kDa, m78 kDa and m87 kDa). The WD-40 repeat domain was found to constitute antiparallel strands of β-sheets arranged circularly. This study elucidates the crucial structural features of SG2NA proteins which are involved in various protein

Roles of water in protein structure and function studied by molecular liquid theory.

PubMed

Imai, Takashi

2009-01-01

The roles of water in the structure and function of proteins have not been completely elucidated. Although molecular simulation has been widely used for the investigation of protein structure and function, it is not always useful for elucidating the roles of water because the effect of water ranges from atomic to thermodynamic level. The three-dimensional reference interaction site model (3D-RISM) theory, which is a statistical-mechanical theory of molecular liquids, can yield the solvation structure at the atomic level and calculate the thermodynamic quantities from the intermolecular potentials. In the last few years, the author and coworkers have succeeded in applying the 3D-RISM theory to protein aqueous solution systems and demonstrated that the theory is useful for investigating the roles of water. This article reviews some of the recent applications and findings, which are concerned with molecular recognition by protein, protein folding, and the partial molar volume of protein which is related to the pressure effect on protein.

Molecular dynamics of individual alpha-helices of bacteriorhodopsin in dimyristol phosphatidylocholine. I. Structure and dynamics.

PubMed

Woolf, T B

1997-11-01

Understanding the role of the lipid bilayer in membrane protein structure and dynamics is needed for tertiary structure determination methods. However, the molecular details are not well understood. Molecular dynamics computer calculations can provide insight into these molecular details of protein:lipid interactions. This paper reports on 10 simulations of individual alpha-helices in explicit lipid bilayers. The 10 helices were selected from the bacteriorhodopsin structure as representative alpha-helical membrane folding components. The bilayer is constructed of dimyristoyl phosphatidylcholine molecules. The only major difference between simulations is the primary sequence of the alpha-helix. The results show dramatic differences in motional behavior between alpha-helices. For example, helix A has much smaller root-mean-squared deviations than does helix D. This can be understood in terms of the presence of aromatic residues at the interface for helix A that are not present in helix D. Additional motions are possible for the helices that contain proline side chains relative to other amino acids. The results thus provide insight into the types of motion and the average structures possible for helices within the bilayer setting and demonstrate the strength of molecular simulations in providing molecular details that are not directly visualized in experiments.

Study of Barley Grain Molecular Structure for Ruminants Using DRIFT, FTIR-ATR and Synchrotron Radiation Infrared Microspectroscopy (SR-IMS): A Review

NASA Astrophysics Data System (ADS)

Yu, Peiqiang

2012-05-01

Barley inherent structures are highly associated with nutrient utilization and availability in both humans and animals. Barley has different degradation kinetics compared with other cereal grains. It has a relatively higher degradation rate and extent, which often cause digestive disorder in the rumen. Therefore understanding barley inherent structure at cellular and molecular levels and processing-induced structure changes is important, because we can manipulate barley inherent structures and digestive behaviors. Several molecular spectroscopy techniques can be used to detect barley inherent structures at cellular and molecular levels. This article reviews several applications of the IR molecular spectral bioanalytical techniques - DRIFT, FT/IR-ATR and SR-IMS for barley chemistry, molecular structure and molecular nutrition research

Cationic lipids: molecular structure/ transfection activity relationships and interactions with biomembranes.

PubMed

Koynova, Rumiana; Tenchov, Boris

2010-01-01

Abstract Synthetic cationic lipids, which form complexes (lipoplexes) with polyanionic DNA, are presently the most widely used constituents of nonviral gene carriers. A large number of cationic amphiphiles have been synthesized and tested in transfection studies. However, due to the complexity of the transfection pathway, no general schemes have emerged for correlating the cationic lipid chemistry with their transfection efficacy and the approaches for optimizing their molecular structures are still largely empirical. Here we summarize data on the relationships between transfection activity and cationic lipid molecular structure and demonstrate that the transfection activity depends in a systematic way on the lipid hydrocarbon chain structure. A number of examples, including a large series of cationic phosphatidylcholine derivatives, show that optimum transfection is displayed by lipids with chain length of approximately 14 carbon atoms and that the transfection efficiency strongly increases with increase of chain unsaturation, specifically upon replacement of saturated with monounsaturated chains.

A gravitationally lensed starburst galaxy at z=1.03 detected by SOFIA/HAWC+

NASA Astrophysics Data System (ADS)

Brown, Arianna; Ma, Jingzhe; Cooray, Asantha; Nayyeri, Hooshang; Timmons, Nicholas

2018-01-01

We present a high S/N~20 detection at 89 micron (in 15 mins) of the Herschel-selected gravitationally lensed starburst galaxy HATLASJ1429-0028 with the High-resolution Airborne Wideband Camera-plus (HAWC+) onboard the Stratospheric Observatory for Infrared Astronomy (SOFIA). The spectacular lensing system consists of an edge-on foreground disk galaxy at z=0.22 and a nearly complete Einstein ring of an intrinsic ultra-luminous infrared galaxy at z=1.03. Is this high luminosity powered by pure star formation (SF) or an active galactic nucleus (AGN)? Previous nebular line diagnostics indicate that it is star-formation dominated. SOFIA/HAWC+ allows the broad-band spectral energy distribution of the galaxy to be studied between 20 - 100 micron, which is an important wavelength range for further constraining the fractional AGN contribution to the total IR luminosity. Multi-wavelength SED modeling constrains the AGN fraction to be < 1%. The detection of a source at z of 1 shows the potential of utilizing SOFIA/HAWC+ for distant galaxy studies and the potential to decompose SF/AGN that cannot be obtained with other current facilities.

Molecular adsorption and multilayer growth of pentacene on Cu(100):Layer structure and energetics

NASA Astrophysics Data System (ADS)

Satta, M.; Iacobucci, S.; Larciprete, R.

2007-04-01

We used the partial charge tight binding method to perform a full structure optimization to determine equilibrium adsorption geometries, energetics, and local charge redistribution for molecular adsorption and multilayer growth of pentacene on Cu(100). We found that single molecule adsorption induces only a localized perturbation of the metal lattice which is limited to the topmost layers. At saturation coverage four stable topologies (Brick, Wave, Lines and Zigzag) were identified, all based on pentacene molecules lying flat on the metal surface and with the central phenyl ring adsorbed in top position. Only two (Brick and Wave) out of the four structures are able to sustain multilayer growth. In both cases, assembling beyond the second layer corresponds to a transition from the flat to a tilted geometry, in which the pentacenes adopt a face-plane-face arrangement leading to a herringbone structure. The energetics of the different structure are reported as a function of the molecular number density of the pentacene multilayer by calculating cohesive, stress, and electrostatic energies. The dominant tilted molecular orientation in the pentacene multilayer is in agreement with the average tilt angle of 65° between the molecular plane and the Cu surface derived by near edge x-ray absorption spectroscopy of a four monolayer pentacene film deposited on Cu(100).

Effects of molecular structure on microscopic heat transport in chain polymer liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsubara, Hiroki, E-mail: matsubara@microheat.ifs.tohoku.ac.jp; Kikugawa, Gota; Ohara, Taku

2015-04-28

In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7T{sub c}) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the newmore » concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs.« less

Structure and photochromic properties of molybdenum-containing silica gels obtained by molecular-lamination method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belotserkovskaya, N.G.; Dobychin, D.P.; Pak, V.N.

1992-05-10

The structure and physicochemical properties of molybdenum-containing silica gels obtained by molecular lamination have been studied quite extensively. Up to the present, however, no studies have been made of the influence of the pore structure of the original silica gel on the structure and properties of molybdenum-containing silica gels (MSG). The problem is quite important, since molybdenum silicas obtained by molecular lamination may find applications in catalysis and as sensors of UV radiation. In either case, the structure of the support is not a factor to be ignored. Here, the authors are reporting on an investigation of the structure ofmore » MSG materials with different pore structures and their susceptibility to reduction of the Mo(VI) oxide groupings when exposed to UV radiation. 16 refs., 2 figs., 2 tabs.« less

Protein Molecular Structures, Protein SubFractions, and Protein Availability Affected by Heat Processing: A Review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu,P.

2007-01-01

The utilization and availability of protein depended on the types of protein and their specific susceptibility to enzymatic hydrolysis (inhibitory activities) in the gastrointestine and was highly associated with protein molecular structures. Studying internal protein structure and protein subfraction profiles leaded to an understanding of the components that make up a whole protein. An understanding of the molecular structure of the whole protein was often vital to understanding its digestive behavior and nutritive value in animals. In this review, recently obtained information on protein molecular structural effects of heat processing was reviewed, in relation to protein characteristics affecting digestive behaviormore » and nutrient utilization and availability. The emphasis of this review was on (1) using the newly advanced synchrotron technology (S-FTIR) as a novel approach to reveal protein molecular chemistry affected by heat processing within intact plant tissues; (2) revealing the effects of heat processing on the profile changes of protein subfractions associated with digestive behaviors and kinetics manipulated by heat processing; (3) prediction of the changes of protein availability and supply after heat processing, using the advanced DVE/OEB and NRC-2001 models, and (4) obtaining information on optimal processing conditions of protein as intestinal protein source to achieve target values for potential high net absorbable protein in the small intestine. The information described in this article may give better insight in the mechanisms involved and the intrinsic protein molecular structural changes occurring upon processing.« less

C9orf72 Nucleotide Repeat Structures Initiate Molecular Cascades of Disease

PubMed Central

Haeusler, Aaron R.; Donnelly, Christopher J.; Periz, Goran; Simko, Eric A.J.; Shaw, Patrick G.; Kim, Min-Sik; Maragakis, Nicholas J.; Troncoso, Juan C.; Pandey, Akhilesh; Sattler, Rita; Rothstein, Jeffrey D.; Wang, Jiou

2014-01-01

Summary A hexanucleotide repeat expansion (HRE), (GGGGCC)n, in C9orf72 is the most common genetic cause of the neurodegenerative diseases amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). Here we identify a molecular mechanism by which structural polymorphism of the HRE leads to ALS/FTD pathology and defects. The HRE forms DNA and RNA G-quadruplexes with distinct structures and promotes RNA•DNA hybrids (R-loops). The structural polymorphism causes a repeat length-dependent accumulation of transcripts aborted in the HRE region. These transcribed repeats bind to ribonucleoproteins in a conformationdependent manner. Specifically, nucleolin (NCL), an essential nucleolar protein, preferentially binds the HRE G-quadruplex, and patient cells show evidence of nucleolar stress. Our results demonstrate that distinct C9orf72 HRE structural polymorphism at both DNA and RNA levels initiates molecular cascades leading to ALS/FTD pathologies, and provide the basis for a mechanistic model for repeat-associated neurodegenerative diseases. PMID:24598541

C9orf72 nucleotide repeat structures initiate molecular cascades of disease.

PubMed

Haeusler, Aaron R; Donnelly, Christopher J; Periz, Goran; Simko, Eric A J; Shaw, Patrick G; Kim, Min-Sik; Maragakis, Nicholas J; Troncoso, Juan C; Pandey, Akhilesh; Sattler, Rita; Rothstein, Jeffrey D; Wang, Jiou

2014-03-13

A hexanucleotide repeat expansion (HRE), (GGGGCC)n, in C9orf72 is the most common genetic cause of the neurodegenerative diseases amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). Here we identify a molecular mechanism by which structural polymorphism of the HRE leads to ALS/FTD pathology and defects. The HRE forms DNA and RNA G-quadruplexes with distinct structures and promotes RNA•DNA hybrids (R-loops). The structural polymorphism causes a repeat-length-dependent accumulation of transcripts aborted in the HRE region. These transcribed repeats bind to ribonucleoproteins in a conformation-dependent manner. Specifically, nucleolin, an essential nucleolar protein, preferentially binds the HRE G-quadruplex, and patient cells show evidence of nucleolar stress. Our results demonstrate that distinct C9orf72 HRE structural polymorphism at both DNA and RNA levels initiates molecular cascades leading to ALS/FTD pathologies, and provide the basis for a mechanistic model for repeat-associated neurodegenerative diseases.

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

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

Improved cryoEM-Guided Iterative Molecular Dynamics–Rosetta Protein Structure Refinement Protocol for High Precision Protein Structure Prediction

PubMed Central

2016-01-01

Many excellent methods exist that incorporate cryo-electron microscopy (cryoEM) data to constrain computational protein structure prediction and refinement. Previously, it was shown that iteration of two such orthogonal sampling and scoring methods – Rosetta and molecular dynamics (MD) simulations – facilitated exploration of conformational space in principle. Here, we go beyond a proof-of-concept study and address significant remaining limitations of the iterative MD–Rosetta protein structure refinement protocol. Specifically, all parts of the iterative refinement protocol are now guided by medium-resolution cryoEM density maps, and previous knowledge about the native structure of the protein is no longer necessary. Models are identified solely based on score or simulation time. All four benchmark proteins showed substantial improvement through three rounds of the iterative refinement protocol. The best-scoring final models of two proteins had sub-Ångstrom RMSD to the native structure over residues in secondary structure elements. Molecular dynamics was most efficient in refining secondary structure elements and was thus highly complementary to the Rosetta refinement which is most powerful in refining side chains and loop regions. PMID:25883538

Molecular Dynamical Simulation of Thermal Conductivity in Amorphous Structures

NASA Astrophysics Data System (ADS)

Deangelis, Freddy; Henry, Asegun

While current descriptions of thermal transport exists for well-ordered materials such as crystal latices, new methods are needed to describe thermal transport in disordered materials, including amorphous solids. Because such structures lack periodic, long-range order, a group velocity cannot be defined for thermal modes of vibration; thus, the phonon gas model cannot be applied to these structures. Instead, a new framework must be applied to analyze such materials. Using a combination of density functional theory and molecular dynamics, we have analyzed thermal transport in amorphous structures, chiefly amorphous germanium. The analysis allows us to categorize vibrational modes as propagons, diffusons, or locons, and to determine how they contribute to thermal conductivity within amorphous structures. This method is also being extended to other disordered structures such as amorphous polymers. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1148903.

The interface of protein structure, protein biophysics, and molecular evolution

PubMed Central

Liberles, David A; Teichmann, Sarah A; Bahar, Ivet; Bastolla, Ugo; Bloom, Jesse; Bornberg-Bauer, Erich; Colwell, Lucy J; de Koning, A P Jason; Dokholyan, Nikolay V; Echave, Julian; Elofsson, Arne; Gerloff, Dietlind L; Goldstein, Richard A; Grahnen, Johan A; Holder, Mark T; Lakner, Clemens; Lartillot, Nicholas; Lovell, Simon C; Naylor, Gavin; Perica, Tina; Pollock, David D; Pupko, Tal; Regan, Lynne; Roger, Andrew; Rubinstein, Nimrod; Shakhnovich, Eugene; Sjölander, Kimmen; Sunyaev, Shamil; Teufel, Ashley I; Thorne, Jeffrey L; Thornton, Joseph W; Weinreich, Daniel M; Whelan, Simon

2012-01-01

Abstract The interface of protein structural biology, protein biophysics, molecular evolution, and molecular population genetics forms the foundations for a mechanistic understanding of many aspects of protein biochemistry. Current efforts in interdisciplinary protein modeling are in their infancy and the state-of-the art of such models is described. Beyond the relationship between amino acid substitution and static protein structure, protein function, and corresponding organismal fitness, other considerations are also discussed. More complex mutational processes such as insertion and deletion and domain rearrangements and even circular permutations should be evaluated. The role of intrinsically disordered proteins is still controversial, but may be increasingly important to consider. Protein geometry and protein dynamics as a deviation from static considerations of protein structure are also important. Protein expression level is known to be a major determinant of evolutionary rate and several considerations including selection at the mRNA level and the role of interaction specificity are discussed. Lastly, the relationship between modeling and needed high-throughput experimental data as well as experimental examination of protein evolution using ancestral sequence resurrection and in vitro biochemistry are presented, towards an aim of ultimately generating better models for biological inference and prediction. PMID:22528593

Molecular structure input on the web.

PubMed

Ertl, Peter

2010-02-02

A molecule editor, that is program for input and editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. This review focuses on a special type of molecule editors, namely those that are used for molecule structure input on the web. Scientific computing is now moving more and more in the direction of web services and cloud computing, with servers scattered all around the Internet. Thus a web browser has become the universal scientific user interface, and a tool to edit molecules directly within the web browser is essential.The review covers a history of web-based structure input, starting with simple text entry boxes and early molecule editors based on clickable maps, before moving to the current situation dominated by Java applets. One typical example - the popular JME Molecule Editor - will be described in more detail. Modern Ajax server-side molecule editors are also presented. And finally, the possible future direction of web-based molecule editing, based on technologies like JavaScript and Flash, is discussed.

Observations of starburst galaxies: Science and supporting technology

NASA Astrophysics Data System (ADS)

Laag, Edward Aric

In chapter 1 we report on the development of wavefront reconstruction and control algorithms for multi-conjugate adaptive optics (MCAO) and the results of testing them in the laboratory under conditions that simulate an 8 meter class telescope. The UCO/Lick Observatory Laboratory for Adaptive Optics Multi-Conjugate testbed allows us to test wide field of view adaptive optics systems as they might be instantiated in the near future on giant telescopes. In particular, we have been investigating the performance of MCAO using five laser beacons for wavefront sensing and a minimum variance algorithm for control of two conjugate deformable mirrors. We have demonstrated improved Strehl ratio and enlarged field of view performance when compared to conventional AO techniques. We have demonstrated improved MCAO performance with the implementation of a routine that minimizes the generalized isoplanatism when turbulent layers do not correspond to deformable mirror conjugate altitudes. Finally, we have demonstrated suitability of the system for closed-loop operation when configured to feed back conditional mean estimates of wavefront residuals rather than the directly measured residuals. This technique has recently been referred to as the "pseudo-open-loop" control law in the literature. Chapter 2 introduces the Multi-wavelength Extreme Starburst Sample (MESS), a new catalog of 138 star-forming galaxies (0.1 < z < 0.3) optically selected from the SDSS using emission line strength diagnostics to have SFR ≥ 50 M⊙ yr-1 based on a Kroupa IMF. The MESS was designed to complement samples of nearby star forming galaxies such as the luminous infrared galaxies (LIRGs), and ultraviolet luminous galaxies (UVLGs). Observations using the multiband imaging photometer (MIPS; 24, 70, and 160mum channels) on the Spitzer Space Telescope indicate the MESS galaxies have IR luminosities similar to those of LIRGs, with an estimated median LTIR ˜ 3 x 1011 L⊙ . The selection criteria for the

Molecular dynamics approach to water structure of HII mesophase of monoolein

NASA Astrophysics Data System (ADS)

Kolev, Vesselin; Ivanova, Anela; Madjarova, Galia; Aserin, Abraham; Garti, Nissim

2012-02-01

The goal of the present work is to study theoretically the structure of water inside the water cylinder of the inverse hexagonal mesophase (HII) of glyceryl monooleate (monoolein, GMO), using the method of molecular dynamics. To simplify the computational model, a fixed structure of the GMO tube is maintained. The non-standard cylindrical geometry of the system required the development and application of a novel method for obtaining the starting distribution of water molecules. A predictor-corrector schema is employed for generation of the initial density of water. Molecular dynamics calculations are performed at constant volume and temperature (NVT ensemble) with 1D periodic boundary conditions applied. During the simulations the lipid structure is kept fixed, while the dynamics of water is unrestrained. Distribution of hydrogen bonds and density as well as radial distribution of water molecules across the water cylinder show the presence of water structure deep in the cylinder (about 6 Å below the GMO heads). The obtained results may help understanding the role of water structure in the processes of insertion of external molecules inside the GMO/water system. The present work has a semi-quantitative character and it should be considered as the initial stage of more comprehensive future theoretical studies.

Structural insights of Staphylococcus aureus FtsZ inhibitors through molecular docking, 3D-QSAR and molecular dynamics simulations.

PubMed

Ballu, Srilata; Itteboina, Ramesh; Sivan, Sree Kanth; Manga, Vijjulatha

2018-02-01

Filamentous temperature-sensitive protein Z (FtsZ) is a protein encoded by the FtsZ gene that assembles into a Z-ring at the future site of the septum of bacterial cell division. Structurally, FtsZ is a homolog of eukaryotic tubulin but has low sequence similarity; this makes it possible to obtain FtsZ inhibitors without affecting the eukaryotic cell division. Computational studies were performed on a series of substituted 3-arylalkoxybenzamide derivatives reported as inhibitors of FtsZ activity in Staphylococcus aureus. Quantitative structure-activity relationship models (QSAR) models generated showed good statistical reliability, which is evident from r 2 ncv and r 2 loo values. The predictive ability of these models was determined and an acceptable predictive correlation (r 2 Pred ) values were obtained. Finally, we performed molecular dynamics simulations in order to examine the stability of protein-ligand interactions. This facilitated us to compare free binding energies of cocrystal ligand and newly designed molecule B1. The good concordance between the docking results and comparative molecular field analysis (CoMFA)/comparative molecular similarity indices analysis (CoMSIA) contour maps afforded obliging clues for the rational modification of molecules to design more potent FtsZ inhibitors.

Adaptive Optics Near-Infrared Imaging of R136 in 30 Doradus: The Stellar Population of a Nearby Starburst

NASA Astrophysics Data System (ADS)

Brandl, B.; Sams, B. J.; Bertoldi, F.; Eckart, A.; Genzel, R.; Drapatz, S.; Hofmann, R.; Loewe, M.; Quirrenbach, A.

1996-07-01

We report 0".15 resolution near-infrared (NIR) imaging of R136, the central region of 30 Doradus in the large Magellanic Cloud. Our 12".8 x 12".8 images were recorded with the MPE camera SHARP II at the 3.6 m ESO telescope, using the adaptive optics system COME ON+. The high spatial resolution and sensitivity (20th magnitude in K) of our observations allow our H- and K-band images to be compared and combined with recent Hubble Space Telescope (HST) WFPC2 data of R136. We fit theoretical models with variable foreground extinction to the observed magnitudes of ˜1000 stars (roughly half of which were detected in HST and NIR bands) and derive the stellar population in this starburst region. We find no red giants or supergiants; however, we detect ˜110 extremely red sources which are probably young, pre-main-sequence low- or intermediate-mass stars. We obtained narrow-band images to identify known and new Wolf-Rayet stars by their He 11(2.189 μm) and Bry (2.166 μm) emission lines. The presence of W-R stars and absence of red supergiants narrow the cluster age to ˜3-5 Myr, while the derived ratio of W-R to 0 stars of 0.05 in the central region favors an age of 3.5 Myr, with a relatively short starburst duration. For the 0 stars, the core radius is found to be 0.1 pc and appears to decrease with increasing stellar mass. The slope of the mass function function is Γ = -1.6 on average, but it steepens with increasing distance from the cluster center from Γ = -1.3 in the inner 0.4 pc to Γ = -2.2 outside 0.8 pc for stars more massive than 12 Msun. The radial variation of the mass function reveals strong mass segregation that is probably due to the cluster's dynamical evolution.

Structure of a tethered polymer under flow using molecular dynamics and hybrid molecular-continuum simulations

NASA Astrophysics Data System (ADS)

Delgado-Buscalioni, Rafael; Coveney, Peter V.

2006-03-01

We analyse the structure of a single polymer tethered to a solid surface undergoing a Couette flow. We study the problem using molecular dynamics (MD) and hybrid MD-continuum simulations, wherein the polymer and the surrounding solvent are treated via standard MD, and the solvent flow farther away from the polymer is solved by continuum fluid dynamics (CFD). The polymer represents a freely jointed chain (FJC) and is modelled by Lennard-Jones (LJ) beads interacting through the FENE potential. The solvent (modelled as a LJ fluid) and a weakly attractive wall are treated at the molecular level. At large shear rates the polymer becomes more elongated than predicted by existing theoretical scaling laws. Also, along the normal-to-wall direction the structure observed for the FJC is, surprisingly, very similar to that predicted for a semiflexible chain. Comparison with previous Brownian dynamics simulations (which exclude both solvent and wall potential) indicates that these effects are due to the polymer-solvent and polymer-wall interactions. The hybrid simulations are in perfect agreement with the MD simulations, showing no trace of finite size effects. Importantly, the extra cost required to couple the MD and CFD domains is negligible.

GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction.

PubMed

Curtis, Farren; Li, Xiayue; Rose, Timothy; Vázquez-Mayagoitia, Álvaro; Bhattacharya, Saswata; Ghiringhelli, Luca M; Marom, Noa

2018-04-10

We present the implementation of GAtor, a massively parallel, first-principles genetic algorithm (GA) for molecular crystal structure prediction. GAtor is written in Python and currently interfaces with the FHI-aims code to perform local optimizations and energy evaluations using dispersion-inclusive density functional theory (DFT). GAtor offers a variety of fitness evaluation, selection, crossover, and mutation schemes. Breeding operators designed specifically for molecular crystals provide a balance between exploration and exploitation. Evolutionary niching is implemented in GAtor by using machine learning to cluster the dynamically updated population by structural similarity and then employing a cluster-based fitness function. Evolutionary niching promotes uniform sampling of the potential energy surface by evolving several subpopulations, which helps overcome initial pool biases and selection biases (genetic drift). The various settings offered by GAtor increase the likelihood of locating numerous low-energy minima, including those located in disconnected, hard to reach regions of the potential energy landscape. The best structures generated are re-relaxed and re-ranked using a hierarchy of increasingly accurate DFT functionals and dispersion methods. GAtor is applied to a chemically diverse set of four past blind test targets, characterized by different types of intermolecular interactions. The experimentally observed structures and other low-energy structures are found for all four targets. In particular, for Target II, 5-cyano-3-hydroxythiophene, the top ranked putative crystal structure is a Z' = 2 structure with P1̅ symmetry and a scaffold packing motif, which has not been reported previously.

Unveiling the molecular mechanism of brassinosteroids: Insights from structure-based molecular modeling studies.

PubMed

Lei, Beilei; Liu, Jiyuan; Yao, Xiaojun

2015-12-01

Brassinosteroid (BR) phytohormones play indispensable roles in plant growth and development. Brassinolide (BL) and 24-epibrassinolide (24-epiBL) are the most active ones among the BRs reported thus far. Unfortunately, the extremely low natural content and intricate synthesis process limit their popularization in agricultural production. Earlier reports to discover alternative compounds have resulted in molecules with nearly same scaffold structure and without diversity in chemical space. In the present study, receptors structure based BRs regulation mechanism was analyzed. First, we examined the detailed binding interactions and their dynamic stability between BL and its receptor BRI1 and co-receptor BAK1. Then, the binding modes and binding free energies for 24-epiBL and a series of representative BRs binding with BRI1 and BRI1-BAK1 were carried out by molecular docking, energy minimization and MM-PBSA free energy calculation. The obtained binding structures and energetic results provided vital insights into the structural factors affecting the activity from both receptors and BRs aspects. Subsequently, the obtained knowledge will serve as valuable guidance to build pharmacophore models for rational screening of new scaffold alternative BRs. Copyright © 2015 Elsevier Inc. All rights reserved.

Biological and structural analyses of bovine heparin fractions of intermediate and high molecular weight.

PubMed

Nogueira, Alexsandro V; Drehmer, Daiana L; Iacomini, Marcello; Sassaki, Guilherme L; Cipriani, Thales R

2017-02-10

Low molecular weight heparin, which is generally obtained by chemical and enzymatic depolymerization of unfractionated heparin, has high bioavailability and can be subcutaneously injected. The aim of the present investigation was to fractionate bovine heparin using a physical method (ultrafiltration through a 10kDa cut-off membrane), avoiding structural modifications that can be caused by chemical or enzymatic treatments. Two fractions with different molecular weights were obtained: the first had an intermediate molecular weight (B-IMWH; Mn=9587Da) and the other had a high molecular weight (B-HMWH; 22,396Da). B-IMWH and B-HMWH have anticoagulant activity of 103 and 154IU/mg respectively, which could be inhibited by protamine. Both fractions inhibited α-thrombin and factor Xa in vitro and showed antithrombotic effect in vivo. Moreover, ex vivo aPTT assay demonstrated that B-IMWH is absorbed by subcutaneous route. The results showed that ultrafiltration can be used to obtain two bovine heparin fractions, which differ on their molecular weights, structural components, anticoagulant potency, and administration routes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Friction transition in polyimide films as related to molecular relaxations and structure

NASA Technical Reports Server (NTRS)

Fusaro, R. L.

1975-01-01

The friction characteristics of polyimide films bonded to metallic substrates were studied from 25 to 500 C. These results were correlated to molecular structure and the results of torsional braid analysis (TBA). A large friction transition (0.23 to 0.03) was found to occur at 45 C + or - 5 C. It was postulated that this transition was initiated by some molecular relaxation, which gave the molecules a degree of freedom by which an external mechanical stress could rearrange the molecules into a structure, such as an extended chain, which is conducive to easy shear. Above 300 C the friction characteristics were found to be dependent on the thermal prehistory of the film.

The diverse and expanding role of mass spectrometry in structural and molecular biology.

PubMed

Lössl, Philip; van de Waterbeemd, Michiel; Heck, Albert Jr

2016-12-15

The emergence of proteomics has led to major technological advances in mass spectrometry (MS). These advancements not only benefitted MS-based high-throughput proteomics but also increased the impact of mass spectrometry on the field of structural and molecular biology. Here, we review how state-of-the-art MS methods, including native MS, top-down protein sequencing, cross-linking-MS, and hydrogen-deuterium exchange-MS, nowadays enable the characterization of biomolecular structures, functions, and interactions. In particular, we focus on the role of mass spectrometry in integrated structural and molecular biology investigations of biological macromolecular complexes and cellular machineries, highlighting work on CRISPR-Cas systems and eukaryotic transcription complexes. © 2016 The Authors. Published under the terms of the CC BY NC ND 4.0 license.

The structure of PX3 (X = Cl, Br, I) molecular liquids from X-ray diffraction, molecular dynamics simulations, and reverse Monte Carlo modeling.

PubMed

Pothoczki, Szilvia; Temleitner, László; Pusztai, László

2014-02-07

Synchrotron X-ray diffraction measurements have been conducted on liquid phosphorus trichloride, tribromide, and triiodide. Molecular Dynamics simulations for these molecular liquids were performed with a dual purpose: (1) to establish whether existing intermolecular potential functions can provide a picture that is consistent with diffraction data and (2) to generate reliable starting configurations for subsequent Reverse Monte Carlo modelling. Structural models (i.e., sets of coordinates of thousands of atoms) that were fully consistent with experimental diffraction information, within errors, have been prepared by means of the Reverse Monte Carlo method. Comparison with reference systems, generated by hard sphere-like Monte Carlo simulations, was also carried out to demonstrate the extent to which simple space filling effects determine the structure of the liquids (and thus, also estimating the information content of measured data). Total scattering structure factors, partial radial distribution functions and orientational correlations as a function of distances between the molecular centres have been calculated from the models. In general, more or less antiparallel arrangements of the primary molecular axes that are found to be the most favourable orientation of two neighbouring molecules. In liquid PBr3 electrostatic interactions seem to play a more important role in determining intermolecular correlations than in the other two liquids; molecular arrangements in both PCl3 and PI3 are largely driven by steric effects.

CH5M3D: an HTML5 program for creating 3D molecular structures.

PubMed

Earley, Clarke W

2013-11-18

While a number of programs and web-based applications are available for the interactive display of 3-dimensional molecular structures, few of these provide the ability to edit these structures. For this reason, we have developed a library written in JavaScript to allow for the simple creation of web-based applications that should run on any browser capable of rendering HTML5 web pages. While our primary interest in developing this application was for educational use, it may also prove useful to researchers who want a light-weight application for viewing and editing small molecular structures. Molecular compounds are drawn on the HTML5 Canvas element, with the JavaScript code making use of standard techniques to allow display of three-dimensional structures on a two-dimensional canvas. Information about the structure (bond lengths, bond angles, and dihedral angles) can be obtained using a mouse or other pointing device. Both atoms and bonds can be added or deleted, and rotation about bonds is allowed. Routines are provided to read structures either from the web server or from the user's computer, and creation of galleries of structures can be accomplished with only a few lines of code. Documentation and examples are provided to demonstrate how users can access all of the molecular information for creation of web pages with more advanced features. A light-weight (≈ 75 kb) JavaScript library has been made available that allows for the simple creation of web pages containing interactive 3-dimensional molecular structures. Although this library is designed to create web pages, a web server is not required. Installation on a web server is straightforward and does not require any server-side modules or special permissions. The ch5m3d.js library has been released under the GNU GPL version 3 open-source license and is available from http://sourceforge.net/projects/ch5m3d/.

CH5M3D: an HTML5 program for creating 3D molecular structures

PubMed Central

2013-01-01

Background While a number of programs and web-based applications are available for the interactive display of 3-dimensional molecular structures, few of these provide the ability to edit these structures. For this reason, we have developed a library written in JavaScript to allow for the simple creation of web-based applications that should run on any browser capable of rendering HTML5 web pages. While our primary interest in developing this application was for educational use, it may also prove useful to researchers who want a light-weight application for viewing and editing small molecular structures. Results Molecular compounds are drawn on the HTML5 Canvas element, with the JavaScript code making use of standard techniques to allow display of three-dimensional structures on a two-dimensional canvas. Information about the structure (bond lengths, bond angles, and dihedral angles) can be obtained using a mouse or other pointing device. Both atoms and bonds can be added or deleted, and rotation about bonds is allowed. Routines are provided to read structures either from the web server or from the user’s computer, and creation of galleries of structures can be accomplished with only a few lines of code. Documentation and examples are provided to demonstrate how users can access all of the molecular information for creation of web pages with more advanced features. Conclusions A light-weight (≈ 75 kb) JavaScript library has been made available that allows for the simple creation of web pages containing interactive 3-dimensional molecular structures. Although this library is designed to create web pages, a web server is not required. Installation on a web server is straightforward and does not require any server-side modules or special permissions. The ch5m3d.js library has been released under the GNU GPL version 3 open-source license and is available from http://sourceforge.net/projects/ch5m3d/. PMID:24246004

Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses.

PubMed

Sarti, Edoardo; Gladich, Ivan; Zamuner, Stefano; Correia, Bruno E; Laio, Alessandro

2016-09-01

The prediction of protein-protein interactions and their structural configuration remains a largely unsolved problem. Most of the algorithms aimed at finding the native conformation of a protein complex starting from the structure of its monomers are based on searching the structure corresponding to the global minimum of a suitable scoring function. However, protein complexes are often highly flexible, with mobile side chains and transient contacts due to thermal fluctuations. Flexibility can be neglected if one aims at finding quickly the approximate structure of the native complex, but may play a role in structure refinement, and in discriminating solutions characterized by similar scores. We here benchmark the capability of some state-of-the-art scoring functions (BACH-SixthSense, PIE/PISA and Rosetta) in discriminating finite-temperature ensembles of structures corresponding to the native state and to non-native configurations. We produce the ensembles by running thousands of molecular dynamics simulations in explicit solvent starting from poses generated by rigid docking and optimized in vacuum. We find that while Rosetta outperformed the other two scoring functions in scoring the structures in vacuum, BACH-SixthSense and PIE/PISA perform better in distinguishing near-native ensembles of structures generated by molecular dynamics in explicit solvent. Proteins 2016; 84:1312-1320. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

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

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

Teaching the Structure of Immunoglobulins by Molecular Visualization and SDS-PAGE Analysis

ERIC Educational Resources Information Center

Rižner, Tea Lanišnik

2014-01-01

This laboratory class combines molecular visualization and laboratory experimentation to teach the structure of the immunoglobulins (Ig). In the first part of the class, the three-dimensional structures of the human IgG and IgM molecules available through the RCSB PDB database are visualized using freely available software. In the second part, IgG…

Molecular structure of self-assembled chiral nanoribbons and nanotubules revealed in the hydrated state.

PubMed

Oda, Reiko; Artzner, Franck; Laguerre, Michel; Huc, Ivan

2008-11-05

A detailed molecular organization of racemic 16-2-16 tartrate self-assembled multi-bilayer ribbons in the hydrated state is proposed where 16-2-16 amphiphiles, tartrate ions, and water molecules are all accurately positioned by comparing experimental X-ray powder diffraction and diffraction patterns derived from modeling studies. X-ray diffuse scattering studies show that molecular organization is not fundamentally altered when comparing the flat ribbons of the racemate to chirally twisted or helical ribbons of the pure tartrate enantiomer. Essential features of the three-dimensional molecular organizations of these structures include interdigitation of alkyl chains within each bilayer and well-defined networks of ionic and hydrogen bonds between cations, anions, and water molecules between bilayers. The detailed study of diffraction patterns also indicated that the gemini headgroups are oriented parallel to the long edge of the ribbons. The structure thus possesses a high cohesion and good crystallinity, and for the first time, we could relate the packing of the chiral molecules to the expression of the chirality at a mesoscopic scale. The organization of the ribbons at the molecular level sheds light on a number of their macroscopic features. Among these are the reason why enantiomerically pure 16-2-16 tartrate forms ribbons that consist of exactly two bilayers, and a plausible mechanism by which a chirally twisted or helical shape may emerge from the packing of chiral tartrate ions. Importantly, the distinction between commonly observed helical and twisted morphologies could be related to a subtle symmetry breaking. These results demonstrate that accurately solving the molecular structure of self-assembled soft materials--a process rarely achieved--is within reach, that it is a valid approach to correlate molecular parameters to macroscopic properties, and thus that it offers opportunities to modulate properties through molecular design.

ALMA CO Observations of Shocks and Star Formation in the Interacting Galaxies IC 2163 and NGC 2207

NASA Astrophysics Data System (ADS)

Elmegreen, Debra M.; Elmegreen, Bruce; Kaufman, Michele; Brinks, Elias; Struck, Curtis; Bournaud, Frederic; Sheth, Kartik; Juneau, Stephanie

2017-01-01

The spiral galaxies IC 2163 and NGC 2207 are a well-studied pair undergoing a grazing collision. ALMA CO observations of masses, column densities, and velocities are combined with HI, Hα, optical, and 24 micron data to study the star formation rates and efficiencies. The close encounter of the galaxies produced in-plane tidal forces in IC 2163, resulting in a large shock with high molecular velocity gradients and both radial and azimuthal streaming (100 km/s) that formed a pile-up of molecular gas in the resulting cuspy-oval or ``eyelid'' structure at mid-radius. The encounter also produced forces nearly orthogonal to the plane of NGC 2207, resulting in a warp. By comparing with the Kennicutt-Schmidt relation for star formation, we find that some regions of NGC 2207 with unusually high turbulent speeds (40-50 km/s) and high star formation rates (>0.01 Mo/pc2/Myr) have gas that is predominantly atomic with high density cores. Half of the CO mass is in 300 clouds each more massive than 4.0x105 Mo. The mass distribution functions for the CO clouds and star complexes in the eyelid in IC 2163 both have a slope similar to what is observed in Milky Way clouds; the CO slope is steeper in NGC 2207. The CO distribution in NGC 2207 also includes a nuclear ring, a mini-bar, and a mini-starburst region that dominates the 24 micron, radio, and Hα emission in both galaxies. Dust extinction, molecular column densities, and slightly negative molecular velocities indicate the mini-starburst region has ejected a jet of molecular gas nearly perpendicular to the plane of NGC 2207 on the near side with a kinetic energy of 1052 ergs. The large scale star formation efficiency, measured as the ratio of the summed masses of the star complexes near molecular clouds to the combined star complex and cloud masses, is 7% overall; it is 23% in the mini-starburst. The maximum age of star complexes in the galactic-scale shock front at the eyelid is about the same as the time since closest

The study on molecular structure and microbiological activity of alkali metal 3-hydroxyphenylycetates

NASA Astrophysics Data System (ADS)

Samsonowicz, M.; Regulska, E.; Kowczyk-Sadowy, M.; Butarewicz, A.; Lewandowski, W.

2017-10-01

The biological activity of chemical compounds depends on their molecular structure. In this paper molecular structure of 3-hydroxyphenylacetates in comparison to 3-hydroxyphenylacetic acid was studied. FT-IR, FT-Raman and NMR spectroscopy and density functional theory (DFT) calculations was used. The B3LYP/6-311++G(d,p) hybrid functional method was used to calculate optimized geometrical structures of studied compounds. The Mulliken, APT, MK, ChelpG and NBO atomic charges as well as dipole moment and energy values were calculated. Theoretical chemical shifts in NMR spectra and the wavenumbers and intensities of the bands in vibrational spectra were analyzed. Calculated parameters were compared to experimental characteristic of studied compounds. Microbiological analysis of studied compounds was performed relative to: Bacillus subtilis, Pseudomonas aeruginosa, Escherichia coli and Klebsiella oxytoca. The relationship between spectroscopic and structure parameters of studied compounds in regard to their activity was analyzed.

Structural determinants of APOBEC3B non-catalytic domain for molecular assembly and catalytic regulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao, Xiao; Yang, Hanjing; Arutiunian, Vagan

The catalytic activity of human cytidine deaminase APOBEC3B (A3B) has been correlated with kataegic mutational patterns within multiple cancer types. The molecular basis of how the N-terminal non-catalytic CD1 regulates the catalytic activity and consequently, biological function of A3B remains relatively unknown. Here, we report the crystal structure of a soluble human A3B-CD1 variant and delineate several structural elements of CD1 involved in molecular assembly, nucleic acid interactions and catalytic regulation of A3B. We show that (i) A3B expressed in human cells exists in hypoactive high-molecular-weight (HMW) complexes, which can be activated without apparent dissociation into low-molecular-weight (LMW) species aftermore » RNase A treatment. (ii) Multiple surface hydrophobic residues of CD1 mediate the HMW complex assembly and affect the catalytic activity, including one tryptophan residue W127 that likely acts through regulating nucleic acid binding. (iii) One of the highly positively charged surfaces on CD1 is involved in RNA-dependent attenuation of A3B catalysis. (iv) Surface hydrophobic residues of CD1 are involved in heterogeneous nuclear ribonucleoproteins (hnRNPs) binding to A3B. The structural and biochemical insights described here suggest that unique structural features on CD1 regulate the molecular assembly and catalytic activity of A3B through distinct mechanisms.« less

Alma observations of massive molecular gas filaments encasing radio bubbles in the Phoenix cluster

DOE PAGES

Russell, H. R.; McDonald, M.; McNamara, B. R.; ...

2017-02-14

We report new ALMA observations of the CO(3-2) line emission from themore » $$2.1\\pm0.3\\times10^{10}\\rm\\thinspace M_{\\odot}$$ molecular gas reservoir in the central galaxy of the Phoenix cluster. The cold molecular gas is fuelling a vigorous starburst at a rate of $$500-800\\rm\\thinspace M_{\\odot}\\rm\\; yr^{-1}$$ and powerful black hole activity in the form of both intense quasar radiation and radio jets. The radio jets have inflated huge bubbles filled with relativistic plasma into the hot, X-ray atmospheres surrounding the host galaxy. The ALMA observations show that extended filaments of molecular gas, each $$10-20\\rm\\; kpc$$ long with a mass of several billion solar masses, are located along the peripheries of the radio bubbles. The smooth velocity gradients and narrow line widths along each filament reveal massive, ordered molecular gas flows around each bubble, which are inconsistent with gravitational free-fall. The molecular clouds have been lifted directly by the radio bubbles, or formed via thermal instabilities induced in low entropy gas lifted in the updraft of the bubbles. These new data provide compelling evidence for close coupling between the radio bubbles and the cold gas, which is essential to explain the self-regulation of feedback. As a result, the very feedback mechanism that heats hot atmospheres and suppresses star formation may also paradoxically stimulate production of the cold gas required to sustain feedback in massive galaxies.« less

Molecular dynamics simulations of structural transformation of perfluorooctane sulfonate (PFOS) at water/rutile interfaces.

PubMed

He, Guangzhi; Zhang, Meiyi; Zhou, Qin; Pan, Gang

2015-09-01

Concentration and salinity conditions are the dominant environmental factors affecting the behavior of perfluorinated compounds (PFCs) on the surfaces of a variety of solid matrices (suspended particles, sediments, and natural minerals). However, the mechanism has not yet been examined at molecular scales. Here, the structural transformation of perfluorooctane sulfonate (PFOS) at water/rutile interfaces induced by changes of the concentration level of PFOS and salt condition was investigated using molecular dynamics (MD) simulations. At low and intermediate concentrations all PFOS molecules directly interacted with the rutile (110) surface mainly by the sulfonate headgroups through electrostatic attraction, yielding a typical monolayer structure. As the concentration of PFOS increased, the molecules aggregated in a complex multi-layered structure, where an irregular assembling configuration was adsorbed on the monolayer structure by the van der Waals interactions between the perfluoroalkyl chains. When adding CaCl2 to the system, the multi-layered structure changed to a monolayer again, indicating that the addition of CaCl2 enhanced the critical concentration value to yield PFOS multilayer assemblies. The divalent Ca(2+) substituted for monovalent K(+) as the bridging counterion in PFOS adsorption. MD simulation may trigger wide applications in study of perfluorinated compounds (PFCs) from atomic/molecular scale. Copyright © 2015 Elsevier Ltd. All rights reserved.

A dendrite-autonomous mechanism for direction selectivity in retinal starburst amacrine cells.

PubMed

Hausselt, Susanne E; Euler, Thomas; Detwiler, Peter B; Denk, Winfried

2007-07-01

Detection of image motion direction begins in the retina, with starburst amacrine cells (SACs) playing a major role. SACs generate larger dendritic Ca(2+) signals when motion is from their somata towards their dendritic tips than for motion in the opposite direction. To study the mechanisms underlying the computation of direction selectivity (DS) in SAC dendrites, electrical responses to expanding and contracting circular wave visual stimuli were measured via somatic whole-cell recordings and quantified using Fourier analysis. Fundamental and, especially, harmonic frequency components were larger for expanding stimuli. This DS persists in the presence of GABA and glycine receptor antagonists, suggesting that inhibitory network interactions are not essential. The presence of harmonics indicates nonlinearity, which, as the relationship between harmonic amplitudes and holding potential indicates, is likely due to the activation of voltage-gated channels. [Ca(2+)] changes in SAC dendrites evoked by voltage steps and monitored by two-photon microscopy suggest that the distal dendrite is tonically depolarized relative to the soma, due in part to resting currents mediated by tonic glutamatergic synaptic input, and that high-voltage-activated Ca(2+) channels are active at rest. Supported by compartmental modeling, we conclude that dendritic DS in SACs can be computed by the dendrites themselves, relying on voltage-gated channels and a dendritic voltage gradient, which provides the spatial asymmetry necessary for direction discrimination.

Molecular Dynamic Simulation of Space and Earth-Grown Crystal Structures of Thermostable T1 Lipase Geobacillus zalihae Revealed a Better Structure.

PubMed

Ishak, Siti Nor Hasmah; Aris, Sayangku Nor Ariati Mohamad; Halim, Khairul Bariyyah Abd; Ali, Mohd Shukuri Mohamad; Leow, Thean Chor; Kamarudin, Nor Hafizah Ahmad; Masomian, Malihe; Rahman, Raja Noor Zaliha Raja Abd

2017-09-25

Less sedimentation and convection in a microgravity environment has become a well-suited condition for growing high quality protein crystals. Thermostable T1 lipase derived from bacterium Geobacillus zalihae has been crystallized using the counter diffusion method under space and earth conditions. Preliminary study using YASARA molecular modeling structure program for both structures showed differences in number of hydrogen bond, ionic interaction, and conformation. The space-grown crystal structure contains more hydrogen bonds as compared with the earth-grown crystal structure. A molecular dynamics simulation study was used to provide insight on the fluctuations and conformational changes of both T1 lipase structures. The analysis of root mean square deviation (RMSD), radius of gyration, and root mean square fluctuation (RMSF) showed that space-grown structure is more stable than the earth-grown structure. Space-structure also showed more hydrogen bonds and ion interactions compared to the earth-grown structure. Further analysis also revealed that the space-grown structure has long-lived interactions, hence it is considered as the more stable structure. This study provides the conformational dynamics of T1 lipase crystal structure grown in space and earth condition.

Profiling of the molecular weight and structural isomer abundance of macroalgae-derived phlorotannins.

PubMed

Heffernan, Natalie; Brunton, Nigel P; FitzGerald, Richard J; Smyth, Thomas J

2015-01-16

Phlorotannins are a group of complex polymers of phloroglucinol (1,3,5-trihydroxybenzene) unique to macroalgae. These phenolic compounds are integral structural components of the cell wall in brown algae, but also play many secondary ecological roles such as protection from UV radiation and defense against grazing. This study employed Ultra Performance Liquid Chromatography (UPLC) with tandem mass spectrometry to investigate isomeric complexity and observed differences in phlorotannins derived from macroalgae harvested off the Irish coast (Fucus serratus, Fucus vesiculosus, Himanthalia elongata and Cystoseira nodicaulis). Antioxidant activity and total phenolic content assays were used as an index for producing phlorotannin fractions, enriched using molecular weight cut-off dialysis with subsequent flash chromatography to profile phlorotannin isomers in these macroalgae. These fractions were profiled using UPLC-MS with multiple reaction monitoring (MRM) and the level of isomerization for specific molecular weight phlorotannins between 3 and 16 monomers were determined. The majority of the low molecular weight (LMW) phlorotannins were found to have a molecular weight range equivalent to 4-12 monomers of phloroglucinol. The level of isomerization within the individual macroalgal species differed, resulting in substantially different numbers of phlorotannin isomers for particular molecular weights. F. vesiculosus had the highest number of isomers of 61 at one specific molecular mass, corresponding to 12 phloroglucinol units (PGUs). These results highlight the complex nature of these extracts and emphasize the challenges involved in structural elucidation of these compounds.

Profiling of the Molecular Weight and Structural Isomer Abundance of Macroalgae-Derived Phlorotannins

PubMed Central

Heffernan, Natalie; Brunton, Nigel P.; FitzGerald, Richard J.; Smyth, Thomas J.

2015-01-01

Phlorotannins are a group of complex polymers of phloroglucinol (1,3,5-trihydroxybenzene) unique to macroalgae. These phenolic compounds are integral structural components of the cell wall in brown algae, but also play many secondary ecological roles such as protection from UV radiation and defense against grazing. This study employed Ultra Performance Liquid Chromatography (UPLC) with tandem mass spectrometry to investigate isomeric complexity and observed differences in phlorotannins derived from macroalgae harvested off the Irish coast (Fucus serratus, Fucus vesiculosus, Himanthalia elongata and Cystoseira nodicaulis). Antioxidant activity and total phenolic content assays were used as an index for producing phlorotannin fractions, enriched using molecular weight cut-off dialysis with subsequent flash chromatography to profile phlorotannin isomers in these macroalgae. These fractions were profiled using UPLC-MS with multiple reaction monitoring (MRM) and the level of isomerization for specific molecular weight phlorotannins between 3 and 16 monomers were determined. The majority of the low molecular weight (LMW) phlorotannins were found to have a molecular weight range equivalent to 4–12 monomers of phloroglucinol. The level of isomerization within the individual macroalgal species differed, resulting in substantially different numbers of phlorotannin isomers for particular molecular weights. F. vesiculosus had the highest number of isomers of 61 at one specific molecular mass, corresponding to 12 phloroglucinol units (PGUs). These results highlight the complex nature of these extracts and emphasize the challenges involved in structural elucidation of these compounds. PMID:25603345

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.

THE DEPENDENCE OF ION AND ELECTRON MOBILITY UPON MOLECULAR STRUCTURE IN DIELECTRIC LIQUIDS (in German)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adamczewski, I.

1961-09-01

The viscosity coefficient of dielectric liquids was found to be dependent upon molecular structure and temperature. From this a general formula for ion and electron mobility was derived. This formula includes the dependence of mobility upon molecular structure and temperature, thus making it possible to give a theoretical explanation of other published experimental results. In addition, the formula can be used to calculate ion mobility for a number of other liquids at various temperatures. (auth)

Molecular Docking, Molecular Dynamics, and Structure-Activity Relationship Explorations of 14-Oxygenated N-Methylmorphinan-6-ones as Potent μ-Opioid Receptor Agonists.

PubMed

Noha, Stefan M; Schmidhammer, Helmut; Spetea, Mariana

2017-06-21

Among opioids, morphinans are of major importance as the most effective analgesic drugs acting primarily via μ-opioid receptor (μ-OR) activation. Our long-standing efforts in the field of opioid analgesics from the class of morphinans led to N-methylmorphinan-6-ones differently substituted at positions 5 and 14 as μ-OR agonists inducing potent analgesia and fewer undesirable effects. Herein we present the first thorough molecular modeling study and structure-activity relationship (SAR) explorations aided by docking and molecular dynamics (MD) simulations of 14-oxygenated N-methylmorphinan-6-ones to gain insights into their mode of binding to the μ-OR and interaction mechanisms. The structure of activated μ-OR provides an essential model for how ligand/μ-OR binding is encoded within small chemical differences in otherwise structurally similar morphinans. We reveal important molecular interactions that these μ-agonists share and distinguish them. The molecular docking outcomes indicate the crucial role of the relative orientation of the ligand in the μ-OR binding site, influencing the propensity of critical non-covalent interactions that are required to facilitate ligand/μ-OR interactions and receptor activation. The MD simulations point out minor differences in the tendency to form hydrogen bonds by the 4,5α-epoxy group, along with the tendency to affect the 3-7 lock switch. The emerged SARs reveal the subtle interplay between the substituents at positions 5 and 14 in the morphinan scaffold by enabling the identification of key structural elements that determine the distinct pharmacological profiles. This study provides a significant structural basis for understanding ligand binding and μ-OR activation by the 14-oxygenated N-methylmorphinan-6-ones, which should be useful for guiding drug design.

The EDGE-CALIFA Survey: Variations in the Molecular Gas Depletion Time in Local Galaxies

NASA Astrophysics Data System (ADS)

Utomo, Dyas; Bolatto, Alberto D.; Wong, Tony; Ostriker, Eve C.; Blitz, Leo; Sanchez, Sebastian F.; Colombo, Dario; Leroy, Adam K.; Cao, Yixian; Dannerbauer, Helmut; Garcia-Benito, Ruben; Husemann, Bernd; Kalinova, Veselina; Levy, Rebecca C.; Mast, Damian; Rosolowsky, Erik; Vogel, Stuart N.

2017-11-01

We present results from the EDGE survey, a spatially resolved CO(1-0) follow-up to CALIFA, an optical Integral Field Unit survey of local galaxies. By combining the data products of EDGE and CALIFA, we study the variation in molecular gas depletion time (τ dep) on kiloparsec scales in 52 galaxies. We divide each galaxy into two parts: the center, defined as the region within 0.1 {R}25, and the disk, defined as the region between 0.1 and 0.7 {R}25. We find that 14 galaxies show a shorter τ dep (˜1 Gyr) in the center relative to that in the disk (τ dep ˜ 2.4 Gyr), which means the central region in those galaxies is more efficient at forming stars per unit molecular gas mass. This finding implies that the centers with shorter τ dep resemble the intermediate regime between galactic disks and starburst galaxies. Furthermore, the central drop in τ dep is correlated with a central increase in the stellar surface density, suggesting that a shorter τ dep is associated with molecular gas compression by the stellar gravitational potential. We argue that varying the CO-to-H2 conversion factor only exaggerates the central drop of τ dep.

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.

Structure and molecular dynamics simulation of archaeal prefoldin: the molecular mechanism for binding and recognition of nonnative substrate proteins.

PubMed

Ohtaki, Akashi; Kida, Hiroshi; Miyata, Yusuke; Ide, Naoki; Yonezawa, Akihiro; Arakawa, Takatoshi; Iizuka, Ryo; Noguchi, Keiichi; Kita, Akiko; Odaka, Masafumi; Miki, Kunio; Yohda, Masafumi

2008-02-29

Prefoldin (PFD) is a heterohexameric molecular chaperone complex in the eukaryotic cytosol and archaea with a jellyfish-like structure containing six long coiled-coil tentacles. PFDs capture protein folding intermediates or unfolded polypeptides and transfer them to group II chaperonins for facilitated folding. Although detailed studies on the mechanisms for interaction with unfolded proteins or cooperation with chaperonins of archaeal PFD have been performed, it is still unclear how PFD captures the unfolded protein. In this study, we determined the X-ray structure of Pyrococcus horikoshii OT3 PFD (PhPFD) at 3.0 A resolution and examined the molecular mechanism for binding and recognition of nonnative substrate proteins by molecular dynamics (MD) simulation and mutation analyses. PhPFD has a jellyfish-like structure with six long coiled-coil tentacles and a large central cavity. Each subunit has a hydrophobic groove at the distal region where an unfolded substrate protein is bound. During MD simulation at 330 K, each coiled coil was highly flexible, enabling it to widen its central cavity and capture various nonnative proteins. Docking MD simulation of PhPFD with unfolded insulin showed that the beta subunit is essentially involved in substrate binding and that the alpha subunit modulates the shape and width of the central cavity. Analyses of mutant PhPFDs with amino acid replacement of the hydrophobic residues of the beta subunit in the hydrophobic groove have shown that beta Ile107 has a critical role in forming the hydrophobic groove.

Nondestructive cryomicro-CT imaging enables structural and molecular analysis of human lung tissue.

PubMed

Vasilescu, Dragoş M; Phillion, André B; Tanabe, Naoya; Kinose, Daisuke; Paige, David F; Kantrowitz, Jacob J; Liu, Gang; Liu, Hanqiao; Fishbane, Nick; Verleden, Stijn E; Vanaudenaerde, Bart M; Lenburg, Marc; Stevenson, Christopher S; Spira, Avrum; Cooper, Joel D; Hackett, Tillie-Louise; Hogg, James C

2017-01-01

Micro-computed tomography (CT) enables three-dimensional (3D) imaging of complex soft tissue structures, but current protocols used to achieve this goal preclude cellular and molecular phenotyping of the tissue. Here we describe a radiolucent cryostage that permits micro-CT imaging of unfixed frozen human lung samples at an isotropic voxel size of (11 µm) 3 under conditions where the sample is maintained frozen at -30°C during imaging. The cryostage was tested for thermal stability to maintain samples frozen up to 8 h. This report describes the methods used to choose the materials required for cryostage construction and demonstrates that whole genome mRNA integrity and expression are not compromised by exposure to micro-CT radiation and that the tissue can be used for immunohistochemistry. The new cryostage provides a novel method enabling integration of 3D tissue structure with cellular and molecular analysis to facilitate the identification of molecular determinants of disease. The described micro-CT cryostage provides a novel way to study the three-dimensional lung structure preserved without the effects of fixatives while enabling subsequent studies of the cellular matrix composition and gene expression. This approach will, for the first time, enable researchers to study structural changes of lung tissues that occur with disease and correlate them with changes in gene or protein signatures. Copyright © 2017 the American Physiological Society.

Structural insights into the molecular mechanisms of myasthenia gravis and their therapeutic implications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noridomi, Kaori; Watanabe, Go; Hansen, Melissa N.

The nicotinic acetylcholine receptor (nAChR) is a major target of autoantibodies in myasthenia gravis (MG), an autoimmune disease that causes neuromuscular transmission dysfunction. Despite decades of research, the molecular mechanisms underlying MG have not been fully elucidated. Here, we present the crystal structure of the nAChR α1 subunit bound by the Fab fragment of mAb35, a reference monoclonal antibody that causes experimental MG and competes with ~65% of antibodies from MG patients. Our structures reveal for the first time the detailed molecular interactions between MG antibodies and a core region on nAChR α1. These structures suggest a major nAChR-binding mechanismmore » shared by a large number of MG antibodies and the possibility to treat MG by blocking this binding mechanism. Structure-based modeling also provides insights into antibody-mediated nAChR cross-linking known to cause receptor degradation. Our studies establish a structural basis for further mechanistic studies and therapeutic development of MG.« less

Molecular Structural Characteristics of Polysaccharide Fractions from Canarium album (Lour.) Raeusch and Their Antioxidant Activities.

PubMed

Zeng, Hongliang; Miao, Song; Zheng, Baodong; Lin, Shan; Jian, Yeye; Chen, Shen; Zhang, Yi

2015-11-01

The objective of this study was to investigate the multiple relations between the preliminary molecular structural characteristics and antioxidant activities of polysaccharides from Canarium album (Lour.) Raeusch (CPS). Three polysaccharide fractions, CPS1, CPS2, and CPS3, were isolated from CPS by column chromatography. CPS1 and CPS3 were mainly composed of neutral polysaccharides linked by α- and β-glycosidic linkages while CPS2 was pectin polysaccharides mainly linked by β-glycosidic linkages. According to the SEC-MALLS-RI system, the molecular weight of CPS1 was greater compared to CPS2 and CPS3, and the molecular weight and radius of CPS did not display positive correlation. The chain conformation analysis indicated CPS1 and CPS2 were typical highly branched polysaccharides while CPS3 existed as a globular shape in aqueous. Furthermore, the antioxidant activity of CPS2 was better than that of CPS3, while that of CPS1 was the weakest. The antioxidant activities of polysaccharide fractions were affected by their monosaccharide composition, glycosidic linkage, molecular weight, and chain conformation. This functional property was a result of a combination of multiple molecular structural factors. CPS2 was the major antioxidant component of CPS and it could be exploited as a valued antioxidant product. The molecular structural characteristics, antioxidant activities, and structure-function relationships of polysaccharide fractions from Canarium album were first investigated in this study. The results provided background and practical knowledge for the deep-processed products of C. album with high added value. CPS2 was the major antioxidant component of CPS, which could be exploited as a valued antioxidant ingredient in food and pharmaceutical industries. © 2015 Institute of Food Technologists®

Structural properties of CuAu nanoparticles with different type. Molecular dynamic simulations

NASA Astrophysics Data System (ADS)

Chepkasov, I. V.; Baidyshev, V. S.; Baev, A. Y.

2018-05-01

The paper is devoted to the thermal stability of a CuAu nanoparticles structure (D=5 nm) of various type (binary alloy, core-shell, "Janus" type) and of various percentage of copper atoms. The simulation was carried out with molecular dynamics, using the embedded atom potential. The authors defined the most preferable structural options from the standpoint of thermodynamics, as well as studied in detail the influence of different temperatures on the structural stability of CuAu nanoparticles.

Structure and dynamics of complex liquid water: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

S, Indrajith V.; Natesan, Baskaran

2015-06-01

We have carried out detailed structure and dynamical studies of complex liquid water using molecular dynamics simulations. Three different model potentials, namely, TIP3P, TIP4P and SPC-E have been used in the simulations, in order to arrive at the best possible potential function that could reproduce the structure of experimental bulk water. All the simulations were performed in the NVE micro canonical ensemble using LAMMPS. The radial distribution functions, gOO, gOH and gHH and the self diffusion coefficient, Ds, were calculated for all three models. We conclude from our results that the structure and dynamical parameters obtained for SPC-E model matched well with the experimental values, suggesting that among the models studied here, the SPC-E model gives the best structure and dynamics of bulk water.

Exploring star formation in high-z galaxies using atomic and molecular emission lines

NASA Astrophysics Data System (ADS)

Gullberg, Bitten

2016-03-01

The conditions under which stars are formed and the reasons for triggering and quenching of starburst events in high-z galaxies, are still not well understood. Studying the interstellar medium (ISM) and the morphology of high-z galaxies are therefore key points in order to understand galaxy evolution. The cosmic star formation rate density peaks between 1>1, and low to moderate [CII] optical depth tau(CII)<1. Combining millimetre/sub-millimetre and optical data cubes for the high-z radio galaxy (HzRG) MRC0943-242, has revealed a much more complicated morphology than seen in the individual data sets. The millimetre/sub-millimetre observations data have allowed us to spatially separate of the AGN and starburst dominated components, which ~65 kpc apart. The optical data reveal structures of emitting and absorbing gas at multiple wavelengths. A deep high resolution millimetre/sub-millimetre study of the HzRG MRC1138-262, shows emission from water (H2O) and an unusually large amount of neutral atomic carbon ([CI]) relative to highly excited CO compared to lensed DSFGs. The

The Molecular Structure of a Phosphatidylserine Bilayer Determined by Scattering and Molecular Dynamics Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Jianjun; Cheng, Xiaolin; Monticelli, Luca

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 themore » 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.« less

Molecular structure of starches from maize mutants deficient in starch synthase III.

PubMed

Zhu, Fan; Bertoft, Eric; Källman, Anna; Myers, Alan M; Seetharaman, Koushik

2013-10-16

Molecular structures of starches from dull1 maize mutants deficient in starch synthase III (SSIII) with a common genetic background (W64A) were characterized and compared with the wild type. Amylose content with altered structure was higher in the nonwaxy mutants (25.4-30.2%) compared to the wild type maize (21.5%) as revealed by gel permeation chromatography. Superlong chains of the amylopectin component were found in all nonwaxy samples. Unit chain length distribution of amylopectins and their φ,β-limit dextrins (reflecting amylopectin internal structure) from dull1 mutants were also characterized by anion-exchange chromatography after debranching. Deficiency of SSIII led to an increased amount of short chains (DP ≤36 in amylopectin), whereas the content of long chains decreased from 8.4% to between 3.1 and 3.7% in both amylopectin and φ,β-limit dextrins. Moreover, both the external and internal chain lengths decreased, suggesting a difference in their cluster structures. Whereas the molar ratio of A:B-chains was similar in all samples (1.1-1.2), some ratios of chain categories were affected by the absence of SSIII, notably the ratio of "fingerprint" A-chains to "clustered" A-chains. This study highlighted the relationship between SSIII and the internal molecular structure of maize starch.

Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

NASA Astrophysics Data System (ADS)

Li, Xiayue; Curtis, Farren S.; Rose, Timothy; Schober, Christoph; Vazquez-Mayagoitia, Alvaro; Reuter, Karsten; Oberhofer, Harald; Marom, Noa

2018-06-01

We present Genarris, a Python package that performs configuration space screening for molecular crystals of rigid molecules by random sampling with physical constraints. For fast energy evaluations, Genarris employs a Harris approximation, whereby the total density of a molecular crystal is constructed via superposition of single molecule densities. Dispersion-inclusive density functional theory is then used for the Harris density without performing a self-consistency cycle. Genarris uses machine learning for clustering, based on a relative coordinate descriptor developed specifically for molecular crystals, which is shown to be robust in identifying packing motif similarity. In addition to random structure generation, Genarris offers three workflows based on different sequences of successive clustering and selection steps: the "Rigorous" workflow is an exhaustive exploration of the potential energy landscape, the "Energy" workflow produces a set of low energy structures, and the "Diverse" workflow produces a maximally diverse set of structures. The latter is recommended for generating initial populations for genetic algorithms. Here, the implementation of Genarris is reported and its application is demonstrated for three test cases.

Structured Ionomer Thin Films at Water Interface: Molecular Dynamics Simulation Insight

DOE PAGES

Aryal, Dipak; Agrawal, Anupriya; Perahia, Dvora; ...

2017-08-23

Controlling the structure and dynamics of thin films of ionizable polymers at water interfaces is critical to their many applications. As the chemical diversity within one polymer is increased, controlling the structure and dynamics of the polymer, which is a key to their use, becomes a challenge. Here molecular dynamics simulations (MD) are used to obtain molecular insight into the structure and dynamics of thin films of one such macromolecule at the interface with water. The polymer consists of an ABCBA topology with randomly sulfonated polystyrene (C), tethered symmetrically to flexible poly(ethylene- r-propylene) blocks (B), and end-capped by a poly(more » t-butylstyrene) block (A). The compositions of the interfacial and bulk regions of thin films of the ABCBA polymers are followed as a function of exposure time to water. We find that interfacial rearrangements take place where buried ionic segments migrate toward the water interface. The hydrophobic blocks collapse and rearrange to minimize their exposure to water. In conclusion, the water that initially drives interfacial reengagements breaks the ionic clusters within the film, forming a dynamic hydrophilic internal network within the hydrophobic segments.« less

STOCK: Structure mapper and online coarse-graining kit for molecular simulations

DOE PAGES

Bevc, Staš; Junghans, Christoph; Praprotnik, Matej

2015-03-15

We present a web toolkit STructure mapper and Online Coarse-graining Kit for setting up coarse-grained molecular simulations. The kit consists of two tools: structure mapping and Boltzmann inversion tools. The aim of the first tool is to define a molecular mapping from high, e.g. all-atom, to low, i.e. coarse-grained, resolution. Using a graphical user interface it generates input files, which are compatible with standard coarse-graining packages, e.g. VOTCA and DL_CGMAP. Our second tool generates effective potentials for coarse-grained simulations preserving the structural properties, e.g. radial distribution functions, of the underlying higher resolution model. The required distribution functions can be providedmore » by any simulation package. Simulations are performed on a local machine and only the distributions are uploaded to the server. The applicability of the toolkit is validated by mapping atomistic pentane and polyalanine molecules to a coarse-grained representation. Effective potentials are derived for systems of TIP3P (transferable intermolecular potential 3 point) water molecules and salt solution. The presented coarse-graining web toolkit is available at http://stock.cmm.ki.si.« less

Molecular structure and vibrational spectra of Irinotecan: a density functional theoretical study.

PubMed

Chinna Babu, P; Sundaraganesan, N; Sudha, S; Aroulmoji, V; Murano, E

2012-12-01

The solid phase FTIR and FT-Raman spectra of Irinotecan have been recorded in the regions 400-4000 and 50-4000 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The structure of the molecule was optimized and the structural characteristics were determined by density functional theory (DFT) using B3LYP method with 6-31G(d) as basis set. The vibrational frequencies were calculated for Irinotecan by DFT method and were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. The infrared spectrum was also simulated from the calculated intensities. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. Copyright © 2012 Elsevier B.V. All rights reserved.

Structure of water clusters on graphene: A classical molecular dynamics approach

NASA Astrophysics Data System (ADS)

Maekawa, Yuki; Sasaoka, Kenji; Yamamoto, Takahiro

2018-03-01

The microscopic structure of surface water adsorbed on graphene is elucidated theoretically by classical molecular dynamics simulation. At a low temperature (100 K), the main polygon consisting of hydrogen bonds in single-layered water on graphene is tetragonal, whereas the dominant polygons in double-layered water are tetragonal, pentagonal, and hexagonal. On the other hand, at room temperature, the tetragonal, pentagonal, and hexagonal water clusters are the main structures in both single- and double-layered water.

Molecular Cloud Structures and Massive Star Formation in N159

NASA Astrophysics Data System (ADS)

Nayak, O.; Meixner, M.; Fukui, Y.; Tachihara, K.; Onishi, T.; Saigo, K.; Tokuda, K.; Harada, R.

2018-02-01

The N159 star-forming region is one of the most massive giant molecular clouds (GMCs) in the Large Magellanic Cloud (LMC). We show the 12CO, 13CO, CS molecular gas lines observed with ALMA in N159 west (N159W) and N159 east (N159E). We relate the structure of the gas clumps to the properties of 24 massive young stellar objects (YSOs) that include 10 newly identified YSOs based on our search. We use dendrogram analysis to identify properties of the molecular clumps, such as flux, mass, linewidth, size, and virial parameter. We relate the YSO properties to the molecular gas properties. We find that the CS gas clumps have a steeper size–linewidth relation than the 12CO or 13CO gas clumps. This larger slope could potentially occur if the CS gas is tracing shocks. The virial parameters of the 13CO gas clumps in N159W and N159E are low (<1). The threshold for massive star formation in N159W is 501 M ⊙ pc‑2, and the threshold for massive star formation in N159E is 794 M ⊙ pc‑2. We find that 13CO is more photodissociated in N159E than N159W. The most massive YSO in N159E has cleared out a molecular gas hole in its vicinity. All the massive YSO candidates in N159E have a more evolved spectral energy distribution type in comparison to the YSO candidates in N159W. These differences lead us to conclude that the giant molecular cloud complex in N159E is more evolved than the giant molecular cloud complex in N159W.

Structural organization of surfactant aggregates in vacuo: a molecular dynamics and well-tempered metadynamics study.

PubMed

Longhi, Giovanna; Fornili, Sandro L; Turco Liveri, Vincenzo

2015-07-07

Experimental investigations using mass spectrometry have established that surfactant molecules are able to form aggregates in the gas phase. However, there is no general consensus on the organization of these aggregates and how it depends on the aggregation number and surfactant molecular structure. In the present paper we investigate the structural organization of some surfactants in vacuo by molecular dynamics and well-tempered metadynamics simulations to widely explore the space of their possible conformations in vacuo. To study how the specific molecular features of such compounds affect their organization, we have considered as paradigmatic surfactants, the anionic single-chain sodium dodecyl sulfate (SDS), the anionic double-chain sodium bis(2-ethylhexyl) sulfosuccinate (AOT) and the zwitterionic single-chain dodecyl phosphatidyl choline (DPC) within a wide aggregation number range (from 5 to 100). We observe that for low aggregation numbers the aggregates show in vacuo the typical structure of reverse micelles, while for large aggregation numbers a variety of globular aggregates occur that are characterized by the coexistence of interlaced domains formed by the polar or ionic heads and by the alkyl chains of the surfactants. Well-tempered metadynamics simulations allows us to confirm that the structural organizations obtained after 50 ns of molecular dynamics simulations are practically the equilibrium ones. Similarities and differences of surfactant aggregates in vacuo and in apolar media are also discussed.

SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.

PubMed

Wei, Ning-Ning; Hamza, Adel

2014-01-27

We present an efficient and rational ligand/structure shape-based virtual screening approach combining our previous ligand shape-based similarity SABRE (shape-approach-based routines enhanced) and the 3D shape of the receptor binding site. Our approach exploits the pharmacological preferences of a number of known active ligands to take advantage of the structural diversities and chemical similarities, using a linear combination of weighted molecular shape density. Furthermore, the algorithm generates a consensus molecular-shape pattern recognition that is used to filter and place the candidate structure into the binding pocket. The descriptor pool used to construct the consensus molecular-shape pattern consists of four dimensional (4D) fingerprints generated from the distribution of conformer states available to a molecule and the 3D shapes of a set of active ligands computed using SABRE software. The virtual screening efficiency of SABRE was validated using the Database of Useful Decoys (DUD) and the filtered version (WOMBAT) of 10 DUD targets. The ligand/structure shape-based similarity SABRE algorithm outperforms several other widely used virtual screening methods which uses the data fusion of multiscreening tools (2D and 3D fingerprints) and demonstrates a superior early retrieval rate of active compounds (EF(0.1%) = 69.0% and EF(1%) = 98.7%) from a large size of ligand database (∼95,000 structures). Therefore, our developed similarity approach can be of particular use for identifying active compounds that are similar to reference molecules and predicting activity against other targets (chemogenomics). An academic license of the SABRE program is available on request.

A circumstellar molecular gas structure associated with the massive young star Cepheus A-HW 2

NASA Technical Reports Server (NTRS)

Torrelles, Jose M.; Rodriguez, Luis F.; Canto, Jorge; Ho, Paul T. P.

1993-01-01

We report the detection via VLA-D observations of ammonia of a circumstellar high-density molecular gas structure toward the massive young star related to the object Cepheus A-HW 2, a firm candidate for the powering source of the high-velocity molecular outflow in the region. We suggest that the circumstellar molecular gas structure could be related to the circumstellar disk previously suggested from infrared, H2O, and OH maser observations. We consider as a plausible scenario that the double radio continuum source of HW 2 could represent the ionized inner part of the circumstellar disk, in the same way as proposed to explain the double radio source in L1551. The observed motions in the circumstellar molecular gas can be produced by bound motions (e.g., infall or rotation) around a central mass of about 10-20 solar masses (B0.5 V star or earlier).

Identifying Novel Molecular Structures for Advanced Melanoma by Ligand-Based Virtual Screening

PubMed Central

Wang, Zhao; Lu, Yan; Seibel, William; Miller, Duane D.; Li, Wei

2009-01-01

We recently discovered a new class of thiazole analogs that are highly potent against melanoma cells. To expand the structure-activity relationship study and to explore potential new molecular scaffolds, we performed extensive ligand-based virtual screening against a compound library containing 342,910 small molecules. Two different approaches of virtual screening were carried out using the structure of our lead molecule: 1) connectivity-based search using Scitegic Pipeline Pilot from Accelerys and 2) molecular shape similarity search using Schrodinger software. Using a testing compound library, both approaches can rank similar compounds very high and rank dissimilar compounds very low, thus validating our screening methods. Structures identified from these searches were analyzed, and selected compounds were tested in vitro to assess their activity against melanoma cancer cell lines. Several molecules showed good anticancer activity. While none of the identified compounds showed better activity than our lead compound, they provided important insight into structural modifications for our lead compound and also provided novel platforms on which we can optimize new classes of anticancer compounds. One of the newly synthesized analogs based on this virtual screening has improved potency and selectivity against melanoma. PMID:19445498

Deep ALMA imaging of the merger NGC 1614. Is CO tracing a massive inflow of non-starforming gas?

NASA Astrophysics Data System (ADS)

König, S.; Aalto, S.; Muller, S.; Gallagher, J. S.; Beswick, R. J.; Xu, C. K.; Evans, A.

2016-10-01

Aims: Observations of the molecular gas over scales of ~0.5 to several kpc provide crucial information on how molecular gas moves through galaxies, especially in mergers and interacting systems, where it ultimately reaches the galaxy center, accumulates, and feeds nuclear activity. Studying the processes involved in the gas transport is one of the important steps forward to understand galaxy evolution. Methods: 12CO, 13CO, and C18O 1-0 high-sensitivity ALMA observations (~4'' × 2'') were used to assess the properties of the large-scale molecular gas reservoir and its connection to the circumnuclear molecular ring in the merger NGC 1614. Specifically, the role of excitation and abundances were studied in this context. We also observed the molecular gas high-density tracers CN and CS. Results: The spatial distributions of the detected 12CO 1-0 and 13CO 1-0 emission show significant differences. 12CO traces the large-scale molecular gas reservoir, which is associated with a dust lane that harbors infalling gas, and extends into the southern tidal tails. 13CO emission is for the first time detected in the large-scale dust lane. In contrast to 12CO, its line emission peaks between the dust lane and the circumnuclear molecular ring. A 12CO-to-13CO 1-0 intensity ratio map shows high values in the ring region (~30) that are typical for the centers of luminous galaxy mergers and even more extreme values in the dust lane (>45). Surprisingly, we do not detect C18O emission in NGC 1614, but we do observe gas emitting the high-density tracers CN and CS. Conclusions: We find that the 12CO-to-13CO 1-0 line ratio in NGC 1614 changes from >45 in the 2 kpc dust lane to ~30 in the starburst nucleus. This drop in ratio with decreasing radius is consistent with the molecular gas in the dust lane being kept in a diffuse, unbound state while it is being funneled toward the nucleus. This also explains why there are no (or very faint) signs of star formation in the dust lane, despite its

Targeting the untargeted in molecular phenomics with structurally-selective ion mobility-mass spectrometry.

PubMed

May, Jody Christopher; Gant-Branum, Randi Lee; McLean, John Allen

2016-06-01

Systems-wide molecular phenomics is rapidly expanding through technological advances in instrumentation and bioinformatics. Strategies such as structural mass spectrometry, which utilizes size and shape measurements with molecular weight, serve to characterize the sum of molecular expression in biological contexts, where broad-scale measurements are made that are interpreted through big data statistical techniques to reveal underlying patterns corresponding to phenotype. The data density, data dimensionality, data projection, and data interrogation are all critical aspects of these approaches to turn data into salient information. Untargeted molecular phenomics is already having a dramatic impact in discovery science from drug discovery to synthetic biology. It is evident that these emerging techniques will integrate closely in broad efforts aimed at precision medicine. Copyright © 2016 Elsevier Ltd. All rights reserved.

In situ structure and dynamics of DNA origami determined through molecular dynamics simulations

PubMed Central

Yoo, Jejoong; Aksimentiev, Aleksei

2013-01-01

The DNA origami method permits folding of long single-stranded DNA into complex 3D structures with subnanometer precision. Transmission electron microscopy, atomic force microscopy, and recently cryo-EM tomography have been used to characterize the properties of such DNA origami objects, however their microscopic structures and dynamics have remained unknown. Here, we report the results of all-atom molecular dynamics simulations that characterized the structural and mechanical properties of DNA origami objects in unprecedented microscopic detail. When simulated in an aqueous environment, the structures of DNA origami objects depart from their idealized targets as a result of steric, electrostatic, and solvent-mediated forces. Whereas the global structural features of such relaxed conformations conform to the target designs, local deformations are abundant and vary in magnitude along the structures. In contrast to their free-solution conformation, the Holliday junctions in the DNA origami structures adopt a left-handed antiparallel conformation. We find the DNA origami structures undergo considerable temporal fluctuations on both local and global scales. Analysis of such structural fluctuations reveals the local mechanical properties of the DNA origami objects. The lattice type of the structures considerably affects global mechanical properties such as bending rigidity. Our study demonstrates the potential of all-atom molecular dynamics simulations to play a considerable role in future development of the DNA origami field by providing accurate, quantitative assessment of local and global structural and mechanical properties of DNA origami objects. PMID:24277840

In situ structure and dynamics of DNA origami determined through molecular dynamics simulations.

PubMed

Yoo, Jejoong; Aksimentiev, Aleksei

2013-12-10

The DNA origami method permits folding of long single-stranded DNA into complex 3D structures with subnanometer precision. Transmission electron microscopy, atomic force microscopy, and recently cryo-EM tomography have been used to characterize the properties of such DNA origami objects, however their microscopic structures and dynamics have remained unknown. Here, we report the results of all-atom molecular dynamics simulations that characterized the structural and mechanical properties of DNA origami objects in unprecedented microscopic detail. When simulated in an aqueous environment, the structures of DNA origami objects depart from their idealized targets as a result of steric, electrostatic, and solvent-mediated forces. Whereas the global structural features of such relaxed conformations conform to the target designs, local deformations are abundant and vary in magnitude along the structures. In contrast to their free-solution conformation, the Holliday junctions in the DNA origami structures adopt a left-handed antiparallel conformation. We find the DNA origami structures undergo considerable temporal fluctuations on both local and global scales. Analysis of such structural fluctuations reveals the local mechanical properties of the DNA origami objects. The lattice type of the structures considerably affects global mechanical properties such as bending rigidity. Our study demonstrates the potential of all-atom molecular dynamics simulations to play a considerable role in future development of the DNA origami field by providing accurate, quantitative assessment of local and global structural and mechanical properties of DNA origami objects.

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

Sampling methods for stellar masses and the mmax-Mecl relation in the starburst dwarf galaxy NGC 4214

NASA Astrophysics Data System (ADS)

Weidner, Carsten; Kroupa, Pavel; Pflamm-Altenburg, Jan

2014-07-01

It has been claimed in the recent literature that a non-trivial relation between the mass of the most-massive star, mmax, in a star cluster and its embedded star cluster mass (the mmax - Mecl relation) is falsified by observations of the most-massive stars and the Hα luminosity of young star clusters in the starburst dwarf galaxy NGC 4214. Here, it is shown by comparing the NGC 4214 results with observations from the Milky Way that NGC 4214 agrees very well with the predictions of the mmax - Mecl relation and with the integrated galactic stellar initial mass function theory. The difference in conclusions is based on a high degree of degeneracy between expectations from random sampling and those from the mmax - Mecl relation, but are also due to interpreting mmax as a truncation mass in a randomly sampled initial mass function. Additional analysis of galaxies with lower SFRs than those currently presented in the literature will be required to break this degeneracy.

Definition of molecular structure: by choice or by appeal to observation?

PubMed

Bader, Richard F W

2010-07-22

There are two schools of thought in chemistry: one derived from the valence bond and molecular orbital models of bonding, the other appealing directly to the measurable electron density and the quantum mechanical theorems that determine its behavior, an approach embodied in the quantum theory of atoms in molecules, QTAIM. No one questions the validity of the former approach, and indeed molecular orbital models and QTAIM play complementary roles, the models finding expression in the principles of physics. However, some orbital proponents step beyond the models to impose their personal stamp on their use in interpretive chemistry, by denying the possible existence of a physical basis for the concepts of chemistry. This places them at odds with QTAIM, whose very existence stems from the discovery in the observable topology of the electron density, the definitions of atoms, of the bonding between atoms and hence of molecular structure. Relating these concepts to the electron density provides the necessary link for their ultimate quantum definition. This paper explores in depth the possible causes of the difficulties some have in accepting the quantum basis of structure beginning with the arguments associated with the acceptance of a "bond path" as a criterion for bonding. This identification is based on the finding that all classical structures may be mapped onto molecular graphs consisting of bond paths linking neighboring atoms, a mapping that has no known exceptions and one that is further bolstered by the finding that there are no examples of "missing bond paths". Difficulties arise when the quantum concept is applied to systems that are not amenable to the classical models of bonding. Thus one is faced with the recurring dilemma of science, of having to escape the constraints of a model that requires a change in the existing paradigm, a process that has been in operation since the discovery of new and novel structures necessitated the extension of the Lewis model

Partially collapsed cristobalite structure in the non molecular phase V in CO2

PubMed Central

Santoro, Mario; Gorelli, Federico A.; Bini, Roberto; Haines, Julien; Cambon, Olivier; Levelut, Claire; Montoya, Javier A.; Scandolo, Sandro

2012-01-01

Non molecular CO2 has been an important subject of study in high pressure physics and chemistry for the past decade opening up a unique area of carbon chemistry. The phase diagram of CO2 includes several non molecular phases above 30 GPa. Among these, the first discovered was CO2-V which appeared silica-like. Theoretical studies suggested that the structure of CO2-V is related to that of β-cristobalite with tetrahedral carbon coordination similar to silicon in SiO2, but reported experimental structural studies have been controversial. We have investigated CO2-V obtained from molecular CO2 at 40–50 GPa and T > 1500 K using synchrotron X-ray diffraction, optical spectroscopy, and computer simulations. The structure refined by the Rietveld method is a partially collapsed variant of SiO2 β-cristobalite, space group , in which the CO4 tetrahedra are tilted by 38.4° about the c-axis. The existence of CO4 tetrahedra (average O-C-O angle of 109.5°) is thus confirmed. The results add to the knowledge of carbon chemistry with mineral phases similar to SiO2 and potential implications for Earth and planetary interiors. PMID:22431594

Molecular simulations of electrolyte structure and dynamics in lithium-sulfur battery solvents

NASA Astrophysics Data System (ADS)

Park, Chanbum; Kanduč, Matej; Chudoba, Richard; Ronneburg, Arne; Risse, Sebastian; Ballauff, Matthias; Dzubiella, Joachim

2018-01-01

The performance of modern lithium-sulfur (Li/S) battery systems critically depends on the electrolyte and solvent compositions. For fundamental molecular insights and rational guidance of experimental developments, efficient and sufficiently accurate molecular simulations are thus in urgent need. Here, we construct a molecular dynamics (MD) computer simulation model of representative state-of-the art electrolyte-solvent systems for Li/S batteries constituted by lithium-bis(trifluoromethane)sulfonimide (LiTFSI) and LiNO3 electrolytes in mixtures of the organic solvents 1,2-dimethoxyethane (DME) and 1,3-dioxolane (DOL). We benchmark and verify our simulations by comparing structural and dynamic features with various available experimental reference systems and demonstrate their applicability for a wide range of electrolyte-solvent compositions. For the state-of-the-art battery solvent, we finally calculate and discuss the detailed composition of the first lithium solvation shell, the temperature dependence of lithium diffusion, as well as the electrolyte conductivities and lithium transference numbers. Our model will serve as a basis for efficient future predictions of electrolyte structure and transport in complex electrode confinements for the optimization of modern Li/S batteries (and related devices).

Modeling the intermolecular interactions: molecular structure of N-3-hydroxyphenyl-4-methoxybenzamide.

PubMed

Karabulut, Sedat; Namli, Hilmi; Kurtaran, Raif; Yildirim, Leyla Tatar; Leszczynski, Jerzy

2014-03-01

The title compound, N-3-hydroxyphenyl-4-methoxybenzamide (3) was prepared by the acylation reaction of 3-aminophenol (1) and 4-metoxybenzoylchloride (2) in THF and characterized by ¹H NMR, ¹³C NMR and elemental analysis. Molecular structure of the crystal was determined by single crystal X-ray diffraction and DFT calculations. 3 crystallizes in monoclinic P2₁/c space group. The influence of intermolecular interactions (dimerization and crystal packing) on molecular geometry has been evaluated by calculations performed for three different models; monomer (3), dimer (4) and dimer with added unit cell contacts (5). Molecular structure of 3, 4 and 5 was optimized by applying B3LYP method with 6-31G+(d,p) basis set in gas phase and compared with X-ray crystallographic data including bond lengths, bond angles and selected dihedral angles. It has been concluded that although the crystal packing and dimerization have a minor effect on bond lengths and angles, however, these interactions are important for the dihedral angles and the rotational conformation of aromatic rings. Copyright © 2013 Elsevier Inc. All rights reserved.

Conductance of carbon based macro-molecular structures