WorldWideScience

Sample records for stacked aromatic rings

  1. Parsing of the free energy of aromatic-aromatic stacking interactions in solution

    Energy Technology Data Exchange (ETDEWEB)

    Kostjukov, Viktor V.; Khomytova, Nina M. [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine); Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas [Faculty of Chemical Sciences, Autonomous University of Puebla, Puebla (Mexico); Evstigneev, Maxim P., E-mail: max_evstigneev@mail.ru [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine)

    2011-10-15

    Graphical abstract: Highlights: > A protocol for decomposition of the free energy of aromatic stacking is developed. > The factors stabilizing/destabilizing stacking of aromatic molecules are defined. > Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

  2. Parsing of the free energy of aromatic-aromatic stacking interactions in solution

    International Nuclear Information System (INIS)

    Kostjukov, Viktor V.; Khomytova, Nina M.; Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas; Evstigneev, Maxim P.

    2011-01-01

    Graphical abstract: Highlights: → A protocol for decomposition of the free energy of aromatic stacking is developed. → The factors stabilizing/destabilizing stacking of aromatic molecules are defined. → Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

  3. Redox shuttles having an aromatic ring fused to a 1,1,4,4-tetrasubstituted cyclohexane ring

    Science.gov (United States)

    Weng, Wei; Zhang, Zhengcheng; Amine, Khalil

    2015-12-01

    An electrolyte includes an alkali metal salt; an aprotic solvent; and a redox shuttle additive including an aromatic compound having at least one aromatic ring fused with at least one non-aromatic ring, the aromatic ring having two or more oxygen or phosphorus-containing substituents.

  4. A new strategy for aromatic ring alkylation in cylindrocyclophane biosynthesis.

    Science.gov (United States)

    Nakamura, Hitomi; Schultz, Erica E; Balskus, Emily P

    2017-08-01

    Alkylation of aromatic rings with alkyl halides is an important transformation in organic synthesis, yet an enzymatic equivalent is unknown. Here, we report that cylindrocyclophane biosynthesis in Cylindrospermum licheniforme ATCC 29412 involves chlorination of an unactivated carbon center by a novel halogenase, followed by a previously uncharacterized enzymatic dimerization reaction featuring sequential, stereospecific alkylations of resorcinol aromatic rings. Discovery of the enzymatic machinery underlying this unique biosynthetic carbon-carbon bond formation has implications for biocatalysis and metabolic engineering.

  5. Nature and magnitude of aromatic stacking of nucleic acid bases

    Czech Academy of Sciences Publication Activity Database

    Šponer, Jiří; Riley, K.E.; Hobza, Pavel

    2008-01-01

    Roč. 10, č. 19 (2008), s. 2595-2610 ISSN 1463-9076 R&D Projects: GA AV ČR(CZ) IAA400550510 Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702; CEZ:AV0Z40550506 Keywords : quantum chemical calculations * base-stacking * DNA Subject RIV: BO - Biophysics Impact factor: 4.064, year: 2008

  6. Four faces of the interaction between ions and aromatic rings.

    Science.gov (United States)

    Papp, Dóra; Rovó, Petra; Jákli, Imre; Császár, Attila G; Perczel, András

    2017-07-15

    Non-covalent interactions between ions and aromatic rings play an important role in the stabilization of macromolecular complexes; of particular interest are peptides and proteins containing aromatic side chains (Phe, Trp, and Tyr) interacting with negatively (Asp and Glu) and positively (Arg and Lys) charged amino acid residues. The structures of the ion-aromatic-ring complexes are the result of an interaction between the large quadrupole moment of the ring and the charge of the ion. Four attractive interaction types are proposed to be distinguished based on the position of the ion with respect to the plane of the ring: perpendicular cation-π (CP ⊥ ), co-planar cation-π (CP ∥ ), perpendicular anion-π (AP ⊥ ), and co-planar anion-π (AP ∥ ). To understand more than the basic features of these four interaction types, a systematic, high-level quantum chemical study is performed, using the X -  + C 6 H 6 , M +  + C 6 H 6 , X -  + C 6 F 6 , and M +  + C 6 F 6 model systems with X -  = H - , F - , Cl - , HCOO - , CH 3 COO - and M +  = H + , Li + , Na + , NH4+, CH 3 NH3+, whereby C 6 H 6 and C 6 F 6 represent an electron-rich and an electron-deficient π system, respectively. Benchmark-quality interaction energies with small uncertainties, obtained via the so-called focal-point analysis (FPA) technique, are reported for the four interaction types. The computations reveal that the interactions lead to significant stabilization, and that the interaction energy order, given in kcal mol -1 in parentheses, is CP ⊥ (23-37) > AP ⊥ (14-21) > CP ∥ (9-22) > AP ∥ (6-16). A natural bond orbital analysis performed leads to a deeper qualitative understanding of the four interaction types. To facilitate the future quantum chemical characterization of ion-aromatic-ring interactions in large biomolecules, the performance of three density functional theory methods, B3LYP, BHandHLYP, and M06-2X, is tested against the FPA benchmarks

  7. Multipole stack for the 4 rings of the PS Booster

    CERN Multimedia

    CERN PhotoLab

    1976-01-01

    The PS Booster (originally 800 MeV, now 1.4 GeV) saw first beam in 1972, routine operation began in 1973. The strive for ever higher intensities required the addition of multipoles. Manufacture of 8 stacks of multipoles was launched in 1974, for installation in 1976. For details, see 7511120X.

  8. Bonded stacked-ring insulator for the Antares electron gun

    International Nuclear Information System (INIS)

    Stine, R.D.; Allen, G.R.; Eaton, E.; Weinstein, B.

    1982-01-01

    A large diameter insulator utilizing epoxy bonding which has sufficient mechanical strength to support the 3000 kg cathode/grid assembly was developed. Bonding the insulator simplifies the handling and reduces the number of 0-ring seals to a minimum. We have described the material selection, bonding techniques and electrical design approach

  9. A Multistep Synthesis Incorporating a Green Bromination of an Aromatic Ring

    Science.gov (United States)

    Cardinal, Pascal; Greer, Brandon; Luong, Horace; Tyagunova, Yevgeniya

    2012-01-01

    Electrophilic aromatic substitution is a fundamental topic taught in the undergraduate organic chemistry curriculum. A multistep synthesis that includes a safer and greener method for the bromination of an aromatic ring than traditional bromination methods is described. This experiment is multifaceted and can be used to teach students about…

  10. Scaling of Engineered Vascular Grafts Using 3D Printed Guides and the Ring Stacking Method.

    Science.gov (United States)

    Pinnock, Cameron B; Xu, Zhengfan; Lam, Mai T

    2017-03-27

    Coronary artery disease remains a leading cause of death, affecting millions of Americans. With the lack of autologous vascular grafts available, engineered grafts offer great potential for patient treatment. However, engineered vascular grafts are generally not easily scalable, requiring manufacture of custom molds or polymer tubes in order to customize to different sizes, constituting a time-consuming and costly practice. Human arteries range in lumen diameter from about 2.0-38 mm and in wall thickness from about 0.5-2.5 mm. We have created a method, termed the "Ring Stacking Method," in which variable size rings of tissue of the desired cell type, demonstrated here with vascular smooth muscle cells (SMCs), can be created using guides of center posts to control lumen diameter and outer shells to dictate vessel wall thickness. These tissue rings are then stacked to create a tubular construct, mimicking the natural form of a blood vessel. The vessel length can be tailored by simply stacking the number of rings required to constitute the length needed. With our technique, tissues of tubular forms, similar to a blood vessel, can be readily manufactured in a variety of dimensions and lengths to meet the needs of the clinic and patient.

  11. Δg: The new aromaticity index based on g-factor calculation applied for polycyclic benzene rings

    Science.gov (United States)

    Ucun, Fatih; Tokatlı, Ahmet

    2015-02-01

    In this work, the aromaticity of polycyclic benzene rings was evaluated by the calculation of g-factor for a hydrogen placed perpendicularly at geometrical center of related ring plane at a distance of 1.2 Å. The results have compared with the other commonly used aromatic indices, such as HOMA, NICSs, PDI, FLU, MCI, CTED and, generally been found to be in agreement with them. So, it was proposed that the calculation of the average g-factor as Δg could be applied to study the aromaticity of polycyclic benzene rings without any restriction in the number of benzene rings as a new magnetic-based aromaticity index.

  12. Condensation reactions of glucose and aromatic ring; Glucose to hokokan tono shukugo hanno

    Energy Technology Data Exchange (ETDEWEB)

    Komano, T.; Mashimo, K.; Wainai, T.; Tanaka, C.; Yoshioka, T. [Nihon University, Tokyo (Japan). College of Science and Technology; Sugimoto, Y.; Miki, Y. [National Institute of Materials and Chemical Research, Tsukuba (Japan)

    1996-10-28

    For artificial coalification, condensation reactions of aromatic ring and activated compounds produced by dehydrating reaction of glucose were studied experimentally. In heat treatment experiment in water, three reaction specimens such as glucose, glucose and phenol, and glucose and benzaldehyde were fed into an autoclave together with distilled water, and subjected to reaction at 180{degree}C under spontaneous pressure for 50 hours. In hydrogenation experiment, the specimens were fed into an autoclave together with tetradecane and sulfurization catalyst, and subjected to reaction at 350{degree}C under initial pressure of 9.8MPa for 2 hours for gas chromatography (GC) analysis of products. As the experimental result, the reaction between glucose and aromatic ring in heat treatment in water occurred between aromatic ring and active fragment with a mean carbon number of 4-5 produced by decomposition of glucose. The reactivity was higher in benzaldehyde addition than phenol addition. 3 refs., 4 figs., 1 tab.

  13. Water flow in carbon-based nanoporous membranes impacted by interactions between hydrated ions and aromatic rings.

    Science.gov (United States)

    Liu, Jian; Shi, Guosheng; Fang, Haiping

    2017-02-24

    Carbon-based nanoporous membranes, such as carbon nanotubes (CNTs), graphene/graphene oxide and graphyne, have shown great potential in water desalination and purification, gas and ion separation, biosensors, and lithium-based batteries, etc. A deep understanding of the interaction between hydrated ions in an aqueous solution and the graphitic surface in systems composed of water, ions and a graphitic surface is essential for applications with carbon-based nanoporous membrane platforms. In this review, we describe the recent progress of the interaction between hydrated ions and aromatic ring structures on the carbon-based surface and its applications in the water flow in a carbon nanotube. We expect that these works can be extended to the understanding of water flow in other nanoporous membranes, such as nanoporous graphene, graphyne and stacked sheets of graphene oxide.

  14. Experimental investigation of electron cooling and stacking of lead ions in a low energy accumulation ring

    CERN Document Server

    Bosser, Jacques; Chanel, M; Hill, C; Lombardi, A M; MacCaferri, R; Maury, S; Möhl, D; Molinari, G; Rossi, S; Tanke, E; Tranquille, G; Vretenar, Maurizio

    1999-01-01

    This report gives the results of a programme of experimental investigations, which were carried out to test stacking of lead ions in a storage ring (the former Low Energy Antiproton Ring, LEAR) at 4.2 MeV per nucleon. The motivation was to demonstrate the feasibility of gaining the large factor in the phase-space density required for injection into the LHC. In the first part of the report, the layout of the experiments is described, the choice of the parameters of the electron cooling system used for stacking is reported and the multi-turn injection using horizontal- and longitudinal- (and in the final project also vertical-) phase space is discussed. In the second part the experimental results are presented. Factors of vital importance are the stacking efficiency, the beam life-time and the cooling time of the ions. The beam decay owing to charge exchange with the residual gas and to recombination by the capture of cooling electrons was intensively studied. Beam instabilities and space-charge effects in the ...

  15. Structural variations in aromatic 2π-electron three-membered rings ...

    Indian Academy of Sciences (India)

    Abstract. Structural variations of different 2π-aromatic three-membered ring systems of main group ele- ments, especially group 14 and 13 elements as compared to the classical description of cyclopropenyl cation has been reviewed in this article. The structures of heavier analogues as well as group 13 analogues of cyclo-.

  16. Does alkali cation binding to aromatic ring retard the fluxional ...

    Indian Academy of Sciences (India)

    A Kalpana

    2017-11-10

    Nov 10, 2017 ... actions can be tuned over a long range by altering the ... where the metal ion moves across the rings.20,24–26 The ..... molecule more susceptible for reaction. ..... Robb M A, Cheeseman J R, Scalmani G, Barone V, Men-.

  17. Seco-B-Ring Steroidal Dienynes with Aromatic D Ring: Design, Synthesis and Biological Evaluation

    Directory of Open Access Journals (Sweden)

    Marcin Szybinski

    2017-10-01

    Full Text Available Continuing our structure-activity studies on the vitamin D analogs with the altered intercyclic seco-B-ring fragment, we designed compounds possessing dienyne system conjugated with the benzene D ring. Analysis of the literature data and the docking experiments seemed to indicate that the target compounds could mimic the ligands with a good affinity to the vitamin D receptor (VDR. Multi-step synthesis of the C/D-ring building block of the tetralone structure was achieved and its enol triflate was coupled with the known A-ring fragments, possessing conjugated enyne moiety, using Sonogashira protocol. The structures of the final products were confirmed by NMR, UV and mass spectroscopy. Their binding affinities for the full-length human VDR were determined and it was established that compound substituted at C-2 with exomethylene group showed significant binding to the receptor. This analog was also able to induce monocytic differentiation of HL-60 cells.

  18. Experimental evidence for interactions between anions and electron-deficient aromatic rings.

    Science.gov (United States)

    Berryman, Orion B; Johnson, Darren W

    2009-06-14

    This feature article summarizes our research aimed at using electron-deficient aromatic rings to bind anions in the context of complementary research in this active field. Particular attention is paid to the different types of interactions exhibited between anions and electron-deficient arenes in solution. The 120+ references cited in this article underscore the flurry of recent activity by numerous researchers in this field, which was relatively nascent when our efforts began in 2005. While the interaction of anions with electron-deficient aromatic rings has recently garnered much attention by supramolecular chemists, the observation of these interactions is not a recent discovery. Therefore, we begin with a historical perspective on early examples of anions interacting with electron-deficient arenes. An introduction to recent (and not so recent) computational investigations concerning anions and electron-deficient aromatic rings as well as a brief structural survey of crystalline examples of this interaction are provided. Finally, the limited solution-based observations of anions interacting with electron-deficient aromatic rings are summarized to introduce our current investigations in this area. We highlight three different systems from our lab where anion-arene interactions have been investigated. First, we show that tandem hydrogen bonds and anion-arene interactions augment halide binding in solution. Second, a crystallographic and computational study highlights the multiple types of interactions possible between anions and electron-deficient arenes. Third, we summarize the first example of a class of designed receptors that emphasize the different types of anion-arene interactions possible in solution.

  19. The formation of quasi-alicyclic rings in alkyl-aromatic compounds

    Science.gov (United States)

    Straka, Pavel; Buryan, Petr; Bičáková, Olga

    2018-02-01

    The alkyl side chains of n-alkyl phenols, n-alkyl benzenes and n-alkyl naphthalenes are cyclised, as demonstrated by GC measurements, FTIR spectroscopy and molecular mechanics calculations. Cyclisation occurs due to the intramolecular interaction between an aromatic ring (-δ) and a hydrogen of the terminal methyl group (+δ) of an alkyl chain. In fact, conventional molecules are not aliphatic-aromatic, but quasi-alicyclic-aromatic. With the aromatic molecules formed with a quasi-alicyclic ring, the effect of van der Waals attractive forces increases not only intramolecularly but also intermolecularly. This effect is strong in molecules with propyl and higher alkyl substituents. The increase of intermolecular van der Waals attractive forces results in bi-linearity in the GC retention time of the compounds in question, observed in the dependence of the logarithm of the relative retention time on the number of carbons in a molecule in both polar and nonpolar stationary phases with both capillary and packed columns. The role of van der Waals forces has been demonstrated using the potential energies of covalent and noncovalent interactions for 2-n-alkyl phenols, n-alkyl benzenes and 1-n-alkyl- and 2-n-alkyl naphthalenes.

  20. Size filtering effect in vertical stacks of In(Ga)As/GaAs self-assembled quantum rings

    International Nuclear Information System (INIS)

    Ouerghui, W.; Melliti, A.; Maaref, M.A.; Martinez-Pastor, J.; Gomis, J.; Granados, D.; Garcia, J.M.

    2006-01-01

    We present a systematic study of closely In(Ga)As/InAs quantum rings (QRs) grown by molecular beam epitaxy (MBE). Photoluminescence (PL) experiments show a strong filtering effect in the ring being stacked and simultaneous linewidth narrowing for the appropriate layer thickness (thinner thickness). If the spacer thickness is further reduced, a strong coupling between the nanostructures is produced and the signal shifts to low energy

  1. Supramolecular liquid crystalline π-conjugates: the role of aromatic π-stacking and van der Waals forces on the molecular self-assembly of oligophenylenevinylenes.

    Science.gov (United States)

    Goel, Mahima; Jayakannan, M

    2010-10-07

    Here, we report a unique design strategy to trace the role of aromatic π-stacking and van der Waals interactions on the molecular self-organization of π-conjugated building blocks in a single system. A new series of bulky oligophenylenevinylenes (OPVs) bearing a tricyclodecanemethylene (TCD) unit in the aromatic π-core with flexible long methylene chains (n = 0-12 and 16) in the longitudinal position were designed and synthesized. The OPVs were found to be liquid crystalline, and their enthalpies of phase transitions (also entropies) showed odd-even oscillation with respect to the number of carbon atoms in alkyl chains. OPVs with an even number of methylene units in the side chains showed higher enthalpies with respect to their highly packed solid structures compared to odd-numbered ones. Polarized light microscopic analysis confirmed the formation of cholesteric liquid crystalline (LC) phases of fan shaped textures with focal conics in OPVs with 5 ≤ n ≤ 9. OPVs with longer alkyl chains (OPV-10 to OPV-12) produced a birefringence pattern consisting of dark and bright ring-banded suprastructures. The melting temperature followed a sigmoidal trend, indicating the transformation of molecular self-organization in OPVs from solid to ring-banded suprastructures via cholesteric LC intermediates. At longer alkyl chain lengths, the van der Waals interactions among the alkyl chains became predominant and translated the mesogenic effect across the lamellae; as a consequence, the lamellae underwent twisted self-organization along the radial growth direction of the spherulites to produce bright and dark bands. Scanning electron microscope (SEM) analysis of cholesteric LC and ring-banded textures strongly supported the existence of twisted lamellae in the OPVs with ring-banded textures. Variable temperature X-ray diffraction analysis confirmed the reversibility of the molecular self-organization in the solid state and also showed the existence of the higher ordered

  2. Carrier transfer in vertically stacked quantum ring-quantum dot chains

    Energy Technology Data Exchange (ETDEWEB)

    Mazur, Yu. I., E-mail: ymazur@uark.edu; Dorogan, V. G.; Benamara, M.; Salamo, G. J. [Arkansas Institute for Nanoscale Materials Science and Engineering, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Lopes-Oliveira, V.; Lopez-Richard, V.; Teodoro, M. D.; Marques, G. E. [Departamento de Fisica, Universidade Federal de São Carlos, 13565-905 São Carlos, São Paulo (Brazil); Souza, L. D. de [Departamento de Fisica, Universidade Federal de São Carlos, 13565-905 São Carlos, São Paulo (Brazil); Arkansas Institute for Nanoscale Materials Science and Engineering, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Wu, J.; Wang, Z. M. [State Key Laboratory of Electronic Thin Film and Integrated Devices, University of Electronic Science and Technology of China, Chengdu (China); Tarasov, G. G. [Institute of Semiconductor Physics, National Academy of Sciences, pr. Nauki 45, Kiev 03028 (Ukraine); Marega, E. [Instituto de Fisica de São Carlos, Universidade de São Paulo, 13.566-590 São Carlos, São Paulo (Brazil)

    2015-04-21

    The interplay between structural properties and charge transfer in self-assembled quantum ring (QR) chains grown by molecular beam epitaxy on top of an InGaAs/GaAs quantum dot (QD) superlattice template is analyzed and characterized. The QDs and QRs are vertically stacked and laterally coupled as well as aligned within each layer due to the strain field distributions that governs the ordering. The strong interdot coupling influences the carrier transfer both along as well as between chains in the ring layer and dot template structures. A qualitative contrast between different dynamic models has been developed. By combining temperature and excitation intensity effects, the tuning of the photoluminescence gain for either the QR or the QD mode is attained. The information obtained here about relaxation parameters, energy scheme, interlayer and interdot coupling resulting in creation of 1D structures is very important for the usage of such specific QR–QD systems for applied purposes such as lasing, detection, and energy-harvesting technology of future solar panels.

  3. The impedance of inductive superconducting fault current limiters operating with stacks of thin film Y123/Au washers or bulk Bi2223 rings as secondaries

    International Nuclear Information System (INIS)

    Fernandez, J A Lorenzo; Osorio, M R; Toimil, P; Ferro, G; Blanch, M; Veira, J A; Vidal, F

    2006-01-01

    Inductive fault current limiters operating with stacks of various small superconducting elements acting as secondaries were studied. The stacks consist of Y 1 Ba 2 Cu 3 O 7-δ thin film washers or Bi 1.8 Pb 0.26 Sr 2 Ca 2 Cu 3 O 10+x bulk rings. A central result of our work is an experimental demonstration that the limiting capability of the device is strongly reduced when several bulk rings are stacked, whereas it remains almost unchanged for thin film washers. The use of thin films should therefore allow us to build more efficient high power inductive limiters based on stacks of small washers

  4. Development of Catalysts for the Hydrogenation of the Aromatic Ring in Gasolines

    Directory of Open Access Journals (Sweden)

    L. R. Sassykova

    2018-01-01

    Full Text Available Liquid-phase hydrogenation of benzene ring in gasoline fractions of Atyrau Oil Refinery LLP (Kazakhstan was studied. Mono- and bimetallic catalysts on the basis of platinum metals on various carriers were synthesized. It was succeeded to reduce aromatic compounds content (totally for “hydrogenate” fraction to 0.6–4.64 % (in initial gasoline – 11.2 %, and also to completely exclude the content of benzene from final sample or to reduce its quantity to 0.06 % (in the initial sample – 2.54 %. For the fraction “stable catalysate” benzene content was reduced to 0.15 wt. % (in the initial sample –5.17 % wt., benzene conversion – 97 %. For the fraction “hydrogenate” aromatic compounds content was decreased from 13.70 to 2.26 wt.%. For the “stable catalysate” an amount of aromatic compounds was reduced from 51.5 to 22.96 wt.%. At catalytic hydrodearomatization of the gasoline fractions octane number was not reduced.

  5. Stereochemical Basis for a Unified Structure Activity Theory of Aromatic and Heterocyclic Rings in Selected Opioids and Opioid Peptides

    Directory of Open Access Journals (Sweden)

    Joel S. Goldberg

    2010-02-01

    Full Text Available This paper presents a novel unified theory of the structure activity relationship of opioids and opioid peptides. It is hypothesized that a virtual or known heterocyclic ring exists in all opioids which have activity in humans, and this ring occupies relative to the aromatic ring of the drug, approximately the same plane in space as the piperidine ring of morphine. Since the rings of morphine are rigid, and the aromatic and piperidine rings are critical structural components for morphine’s analgesic properties, the rigid morphine molecule allows for approximations of the aromatic and heterocyclic relationships in subsequent drug models where bond rotations are common. This hypothesis and five propositions are supported by stereochemistry and experimental observations. Proposition #1 The structure of morphine provides a template. Proposition #2 Steric hindrance of some centric portion of the piperidine ring explains antagonist properties of naloxone, naltrexone and alvimopam. Proposition #3 Methadone has an active conformation which contains a virtual heterocyclic ring which explains its analgesic activity and racemic properties. Proposition #4 The piperidine ring of fentanyl can assume the morphine position under conditions of nitrogen inversion. Proposition #5 The first 3 amino acid sequences of beta endorphin (l-try-gly-gly and the active opioid dipeptide, l-tyr-pro, (as a result of a peptide turn and zwitterion bonding form a virtual piperazine-like ring which is similar in size, shape and location to the heterocyclic rings of morphine, meperidine, and methadone. Potential flaws in this theory are discussed. This theory could be important for future analgesic drug design.

  6. Type II GaSb/GaAs quantum dot/ring stacks with extended photoresponse for efficient solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Carrington, Peter James, E-mail: p.carrington@lancaster.ac.uk [Physics Department, Lancaster University, Lancaster LA1 4YB (United Kingdom); Mahajumi, Abu Syed [Physics Department, Lancaster University, Lancaster LA1 4YB (United Kingdom); Wagener, Magnus C.; Botha, Johannes Reinhardt [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Zhuang Qian; Krier, Anthony [Physics Department, Lancaster University, Lancaster LA1 4YB (United Kingdom)

    2012-05-15

    We report on the fabrication of GaAs based p-i-n solar cells containing 5 and 10 layers of type II GaSb quantum rings grown by molecular beam epitaxy. Solar cells containing quantum rings show improved efficiency at longer wavelengths into the near-IR extending up to 1500 nm and show enhanced short-circuit current under 1 sun illumination compared to a GaAs control cell. A reduction in the open-circuit voltage is observed due to the build-up of internal strain. The MBE growth, formation and photoluminescence of single and stacked layers of GaSb/GaAs quantum rings are also presented.

  7. Type II GaSb/GaAs quantum dot/ring stacks with extended photoresponse for efficient solar cells

    International Nuclear Information System (INIS)

    Carrington, Peter James; Mahajumi, Abu Syed; Wagener, Magnus C.; Botha, Johannes Reinhardt; Zhuang Qian; Krier, Anthony

    2012-01-01

    We report on the fabrication of GaAs based p–i–n solar cells containing 5 and 10 layers of type II GaSb quantum rings grown by molecular beam epitaxy. Solar cells containing quantum rings show improved efficiency at longer wavelengths into the near-IR extending up to 1500 nm and show enhanced short-circuit current under 1 sun illumination compared to a GaAs control cell. A reduction in the open-circuit voltage is observed due to the build-up of internal strain. The MBE growth, formation and photoluminescence of single and stacked layers of GaSb/GaAs quantum rings are also presented.

  8. Aromatic ring formation in opposed-flow diffusive 1,3-butadiene flames

    KAUST Repository

    Moshammer, Kai

    2016-10-17

    This paper is concerned with the formation of one- and two-ring aromatic species in near atmospheric-pressure opposed-flow diffusion flames of 1,3-butadiene (1,3-CH). The chemical structures of two different 1,3-CH/Ar-O/Ar flames were explored using flame-sampling molecular-beam mass spectrometry with both electron and single-photon ionization. We provide mole fraction profiles of 47 components as function of distance from the fuel outlet and compare them to chemically detailed modeling results. To this end, the hierarchically developed model described by Seidel et al. [16] has been updated to accurately comprise the chemistry of 1,3-butadiene. Generally a very good agreement is observed between the experimental and modeling data, allowing for a meaningful reaction path analysis. With regard to the formation of aromatic species up to naphthalene, it was essential to improve the fulvene and the C chemistry description in the mechanism. In particular, benzene is found to be formed mainly via fulvene through the reactions of the CH isomers with CH The n-CH radical reacts with CH forming 1,3-pentadiene (CH), which is subsequently oxidized to form the naphthalene precursor cyclopentadienyl (CH). Oxidation of naphthalene is predicted to be a contributor to the formation of phenylacetylene (CH), indicating that consumption reactions can be of similar importance as molecular growth reactions.

  9. Aromatic ring formation in opposed-flow diffusive 1,3-butadiene flames

    KAUST Repository

    Moshammer, Kai; Seidel, Lars; Wang, Yu; Selim, Hatem; Sarathy, Mani; Mauss, Fabian; Hansen, Nils

    2016-01-01

    This paper is concerned with the formation of one- and two-ring aromatic species in near atmospheric-pressure opposed-flow diffusion flames of 1,3-butadiene (1,3-CH). The chemical structures of two different 1,3-CH/Ar-O/Ar flames were explored using flame-sampling molecular-beam mass spectrometry with both electron and single-photon ionization. We provide mole fraction profiles of 47 components as function of distance from the fuel outlet and compare them to chemically detailed modeling results. To this end, the hierarchically developed model described by Seidel et al. [16] has been updated to accurately comprise the chemistry of 1,3-butadiene. Generally a very good agreement is observed between the experimental and modeling data, allowing for a meaningful reaction path analysis. With regard to the formation of aromatic species up to naphthalene, it was essential to improve the fulvene and the C chemistry description in the mechanism. In particular, benzene is found to be formed mainly via fulvene through the reactions of the CH isomers with CH The n-CH radical reacts with CH forming 1,3-pentadiene (CH), which is subsequently oxidized to form the naphthalene precursor cyclopentadienyl (CH). Oxidation of naphthalene is predicted to be a contributor to the formation of phenylacetylene (CH), indicating that consumption reactions can be of similar importance as molecular growth reactions.

  10. Critical contribution of aromatic rings to specific recognition of polyether rings. The case of ciguatoxin CTX3C-ABC and its specific antibody 1C49.

    Science.gov (United States)

    Tsumoto, Kouhei; Yokota, Akiko; Tanaka, Yoshikazu; Ui, Mihoko; Tsumuraya, Takeshi; Fujii, Ikuo; Kumagai, Izumi; Nagumo, Yoko; Oguri, Hiroki; Inoue, Masayuki; Hirama, Masahiro

    2008-05-02

    To address how proteins recognize polyether toxin compounds, we focused on the interaction between the ABC ring compound of ciguatoxin 3C and its specific antibody, 1C49. Surface plasmon resonance analyses indicated that Escherichia coli-expressed variable domain fragments (Fv) of 1C49 had the high affinity constants and slow dissociation constants typical of antigen-antibody interactions. Linear van't Hoff analyses suggested that the interaction is enthalpy-driven. We resolved the crystal structure of 1C49 Fv bound to ABC ring compound of ciguatoxin 3C at a resolution of 1.7A. The binding pocket of the antibody had many aromatic rings and bound the antigen by shape complementarity typical of hapten-antibody interactions. Three hydrogen bonds and many van der Waals interactions were present. We mutated several residues of the antibody to Ala, and we used surface plasmon resonance to analyze the interactions between the mutated antibodies and the antigen. This analysis identified Tyr-91 and Trp-96 in the light chain as hot spots for the interaction, and other residues made incremental contributions by conferring enthalpic advantages and reducing the dissociation rate constant. Systematic mutation of Tyr-91 indicated that CH-pi and pi-pi interactions between the aromatic ring at this site and the antigen made substantial contributions to the association, and van der Waals interactions inhibited dissociation, suggesting that aromaticity and bulkiness are critical for the specific recognition of polyether compounds by proteins.

  11. THE INFRARED SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS WITH FIVE- AND SEVEN-MEMBERED FUSED RING DEFECTS

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr; Allamandola, Louis J.

    2011-01-01

    Polycyclic aromatic hydrocarbon (PAH) growth and destruction are thought to proceed via the occasional incorporation of five- and seven-membered fused ring defects in the hexagonal carbon skeleton. Using density functional theory, this paper investigates the effect such five- and seven-membered fused ring defects have on the infrared spectra of ovalene, circumovalene, and circumcircumovalene. The defects make only small changes to the overall infrared (IR) spectra, both in the mid-IR and in the far-IR, of these species. In addition to small shifts in the positions of the bands between the PAHs with and without defects, the most common effect of the defects is to increase the number of bands. Except for an anion with the Stone-Wales defect, all of the species studied have the C-C stretching band at 6.3 μm or at longer wavelengths, the position in Classes B and C astronomical PAH spectra. In the case of the Stone-Wales anion, the band falls at 6.20 μm, suggesting that further study of defects is probably worthwhile, as some PAHs with defects might be important in those sources (Class A) that show a C-C stretching band that falls near 6.2 μm.

  12. Study on the polarity, solubility, and stacking characteristics of asphaltenes

    KAUST Repository

    Zhang, Long-li

    2014-07-01

    The structure and transformation of fused aromatic ring system in asphaltenes play an important role in the character of asphaltenes, and in step affect the properties of heavy oils. Polarity, solubility and structural characteristics of asphaltenes derived from Tahe atmospheric residue (THAR) and Tuo-826 heavy crude oil (Tuo-826) were analyzed for study of their internal relationship. A fractionation method was used to separate the asphaltenes into four sub-fractions, based on their solubility in the mixed solvent, for the study of different structural and physical-chemical properties, such as polarity, solubility, morphology, stacking characteristics, and mean structural parameters. Transmission electron microscope (TEM) observation can present the intuitive morphology of asphaltene molecules, and shows that the structure of asphaltenes is in local order as well as long range disorder. The analysis results showed that n-heptane asphaltenes of THAR and Tuo-826 had larger dipole moment values, larger fused aromatic ring systems, larger mean number of stacking layers, and less interlayer spacing between stacking layers than the corresponding n-pentane asphaltenes. The sub-fractions that were inclined to precipitate from the mixture of n-heptane and tetrahydrofuran had larger polarity and less solubility. From the first sub-fraction to the fourth sub-fraction, polarity, mean stacking numbers, and average layer size from the TEM images follow a gradual decrease. The structural parameters derived from TEM images could reflect the largest fused aromatic ring system in asphaltene molecule, yet the parameters derived from 1H NMR data reflected the mean message of poly-aromatic ring systems. The structural parameters derived from TEM images were more consistent with the polarity variation of sub-fractions than those derived from 1H NMR data, which indicates that the largest fused aromatic ring system will play a more important role in the stacking characteristics of

  13. Syntheses of cytotoxic novel arctigenin derivatives bearing halogen and alkyl groups on aromatic rings.

    Science.gov (United States)

    Yamauchi, Satoshi; Wukirsari, Tuti; Ochi, Yoshiaki; Nishiwaki, Hisashi; Nishi, Kosuke; Sugahara, Takuya; Akiyama, Koichi; Kishida, Taro

    2017-09-01

    The new lignano-9,9'-lactones (α,β-dibenzyl-γ-butyrolactone lignans), which showed the higher cytotoxicity than arctigenin, were synthesized. The well-known cytotoxic arctigenin showed activity against HL-60 cells (EC 50 =12μM), however, it was inactive against HeLa cells (EC 50 >100μM). The synthesized (3,4-dichloro, 2'-butoxy)-derivative 55 and (3,4-dichloro, 4'-butyl)-derivative 66 bearing the lignano-9,9'-lactone structures showed the EC 50 values of 10μM and 9.4μM against HL-60 cells, respectively. Against HeLa cells, the EC 50 value of the derivative 66 was 27μM. By comparing the activities with the corresponding 9,9'-epoxy structure (tetrahydrofuran compounds), the importance of the lactone structure of 55 and 66 for the higher activities was shown. The substituents on the aromatic ring of the lignano-9,9'-lactones affected the cytotoxicity level, observing more than 10-fold difference. Copyright © 2017. Published by Elsevier Ltd.

  14. Supramolecular self-assembly of graphene oxide and metal nanoparticles into stacked multilayers by means of a multitasking protein ring.

    Science.gov (United States)

    Ardini, Matteo; Golia, Giordana; Passaretti, Paolo; Cimini, Annamaria; Pitari, Giuseppina; Giansanti, Francesco; Di Leandro, Luana; Ottaviano, Luca; Perrozzi, Francesco; Santucci, Sandro; Morandi, Vittorio; Ortolani, Luca; Christian, Meganne; Treossi, Emanuele; Palermo, Vincenzo; Angelucci, Francesco; Ippoliti, Rodolfo

    2016-03-28

    Graphene oxide (GO) is rapidly emerging worldwide as a breakthrough precursor material for next-generation devices. However, this requires the transition of its two-dimensional layered structure into more accessible three-dimensional (3D) arrays. Peroxiredoxins (Prx) are a family of multitasking redox enzymes, self-assembling into ring-like architectures. Taking advantage of both their symmetric structure and function, 3D reduced GO-based composites are hereby built up. Results reveal that the "double-faced" Prx rings can adhere flat on single GO layers and partially reduce them by their sulfur-containing amino acids, driving their stacking into 3D multi-layer reduced GO-Prx composites. This process occurs in aqueous solution at a very low GO concentration, i.e. 0.2 mg ml(-1). Further, protein engineering allows the Prx ring to be enriched with metal binding sites inside its lumen. This feature is exploited to both capture presynthesized gold nanoparticles and grow in situ palladium nanoparticles paving the way to straightforward and "green" routes to 3D reduced GO-metal composite materials.

  15. Non-Markovian response of ultrafast coherent electronic ring currents in chiral aromatic molecules in a condensed phase

    International Nuclear Information System (INIS)

    Mineo, H.; Lin, S. H.; Fujimura, Y.; Xu, J.; Xu, R. X.; Yan, Y. J.

    2013-01-01

    Results of a theoretical study on non-Markov response for femtosecond laser-driven coherent ring currents in chiral aromatic molecules embedded in a condensed phase are presented. Coherent ring currents are generated by coherent excitation of a pair of quasi-degenerated π-electronic excited states. The coherent electronic dynamical behaviors are strongly influenced by interactions between the electronic system and phonon bath in a condensed phase. Here, the bath correlation time is not instantaneous but should be taken to be a finite time in ultrashort time-resolved experiments. In such a case, Markov approximation breaks down. A hierarchical master equation approach for an improved semiclassical Drude dissipation model was adopted to examine the non-Markov effects on ultrafast coherent electronic ring currents of (P)-2,2 ′ -biphenol in a condensed phase. Time evolution of the coherent ring current derived in the hierarchical master equation approach was calculated and compared with those in the Drude model in the Markov approximation and in the static limit. The results show how non-Markovian behaviors in quantum beat signals of ring currents depend on the Drude bath damping constant. Effects of temperatures on ultrafast coherent electronic ring currents are also clarified

  16. Aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Roder, M.

    1985-01-01

    Papers dealing with radiolysis of aromatic hydrocarbons of different composition (from benzene to terphenyls and hydrocarbons with condensed rings) as well as their mixtures (with alkanes, alkenes, other aromatic hydrocarbons) are reviewed. High radiation stability of aromatic hydrocarbons in condensed phases associated with peculiarities of molecular structure of compounds is underlined. Mechanisms of radiolytic processes, vaues of product yields are considered

  17. Quantum mechanical design of efficient second-order nonlinear optical materials based on heteroaromatic imido-substituted hexamolybdates: first theoretical framework of POM-based heterocyclic aromatic rings.

    Science.gov (United States)

    Janjua, Muhammad Ramzan Saeed Ashraf

    2012-11-05

    This work was inspired by a previous report (Janjua et al. J. Phys. Chem. A 2009, 113, 3576-3587) in which the nonlinear-optical (NLO) response strikingly improved with an increase in the conjugation path of the ligand and the nature of hexamolybdates (polyoxometalates, POMs) was changed into a donor by altering the direction of charge transfer with a second aromatic ring. Herein, the first theoretical framework of POM-based heteroaromatic rings is found to be another class of excellent NLO materials having double heteroaromatic rings. First hyperpolarizabilities of a large number of push-pull-substituted conjugated systems with heteroaromatic rings have been calculated. The β components were computed at the density functional theory (DFT) level (BP86 geometry optimizations and LB94 time-dependent DFT). The largest β values are obtained with a donor (hexamolybdates) on the benzene ring and an acceptor (-NO(2)) on pyrrole, thiophene, and furan rings. The pyrrole imido-substituted hexamolybdate (system 1c) has a considerably large first hyperpolarizability, 339.00 × 10(-30) esu, and it is larger than that of (arylimido)hexamolybdate, calculated as 0.302 × 10(-30) esu (reference system 1), because of the double aromatic rings in the heteroaromatic imido-substituted hexamolybdates. The heteroaromatic rings act as a conjugation bridge between the electron acceptor (-NO(2)) and donor (polyanion). The introduction of an electron donor into heteroaromatic rings significantly enhances the first hyperpolarizabilities because the electron-donating ability is substantially enhanced when the electron donor is attached to the heterocyclic aromatic rings. Interposing five-membered auxiliary fragments between strong donor (polyanion) or acceptor (-NO(2)) groups results in a large computed second-order NLO response. The present investigation provides important insight into the NLO properties of (heteroaromatic) imido-substituted hexamolybdate derivatives because these compounds

  18. Functional characterization of diverse ring-hydroxylating oxygenases and induction of complex aromatic catabolic gene clusters in Sphingobium sp. PNB

    Directory of Open Access Journals (Sweden)

    Pratick Khara

    2014-01-01

    Full Text Available Sphingobium sp. PNB, like other sphingomonads, has multiple ring-hydroxylating oxygenase (RHO genes. Three different fosmid clones have been sequenced to identify the putative genes responsible for the degradation of various aromatics in this bacterial strain. Comparison of the map of the catabolic genes with that of different sphingomonads revealed a similar arrangement of gene clusters that harbors seven sets of RHO terminal components and a sole set of electron transport (ET proteins. The presence of distinctly conserved amino acid residues in ferredoxin and in silico molecular docking analyses of ferredoxin with the well characterized terminal oxygenase components indicated the structural uniqueness of the ET component in sphingomonads. The predicted substrate specificities, derived from the phylogenetic relationship of each of the RHOs, were examined based on transformation of putative substrates and their structural homologs by the recombinant strains expressing each of the oxygenases and the sole set of available ET proteins. The RHO AhdA1bA2b was functionally characterized for the first time and was found to be capable of transforming ethylbenzene, propylbenzene, cumene, p-cymene and biphenyl, in addition to a number of polycyclic aromatic hydrocarbons. Overexpression of aromatic catabolic genes in strain PNB, revealed by real-time PCR analyses, is a way forward to understand the complex regulation of degradative genes in sphingomonads.

  19. Identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons in a complex mixture of polycyclic aromatic hydrocarbons from coal tar.

    Science.gov (United States)

    Oña-Ruales, Jorge O; Ruiz-Morales, Yosadara; Wise, Stephen A

    2016-04-15

    A methodology for the characterization of groups of polycyclic aromatic hydrocarbons (PAHs) using a combination of normal phase liquid chromatography with ultraviolet-visible spectroscopy (NPLC/UV-vis) and gas chromatography with mass spectrometry (GC/MS) was used for the identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons, PAHs, in standard reference material (SRM) 1597a, complex mixture of PAHs from coal tar. The NPLC/UV-vis isolated the fractions based on the number of aromatic carbons and the GC/MS allowed the identification and quantification of five of the nine C26H14 PAH isomers; naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene using a retention time comparison with authentic reference standards. For the other four benzenoid isomers with no available reference standards the following two approaches were used. First, the annellation theory was used to achieve the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene, and second, the elution distribution in the GC fractions was used to support the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene and to reach the tentative identifications of dibenzo[a,ghi]perylene, naphtho[7,8,1,2,3-pqrst]pentaphene, and anthra[2,1,9,8-opqra]naphthacene. It is the first time that naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene are quantified, and the first time that benzo[qr]naphtho[3,2,1,8-defg]chrysene is potentially identified, in any sample, in any context. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Structural variations in aromatic 2π-electron three-membered rings ...

    Indian Academy of Sciences (India)

    Isoelectronic replacement of a carbon of the ring by other group elements is expected to retain this description. Yet, experimental observations indicate dramatic variations that exist out- side the norms of carbon chemistry. The basic unit of tetrahedral tetracoordination of carbon is not followed among many heavier elements ...

  1. Effects of polycyclic aromatic hydrocarbons on microbial community structure and PAH ring hydroxylating dioxygenase gene abundance in soil.

    Science.gov (United States)

    Sawulski, Przemyslaw; Clipson, Nicholas; Doyle, Evelyn

    2014-11-01

    Development of successful bioremediation strategies for environments contaminated with recalcitrant pollutants requires in-depth knowledge of the microorganisms and microbial processes involved in degradation. The response of soil microbial communities to three polycyclic aromatic hydrocarbons, phenanthrene (3-ring), fluoranthene (4-ring) and benzo(a)pyrene (5-ring), was examined. Profiles of bacterial, archaeal and fungal communities were generated using molecular fingerprinting techniques (TRFLP, ARISA) and multivariate statistical tools were employed to interpret the effect of PAHs on community dynamics and composition. The extent and rate of PAH removal was directly related to the chemical structure, with the 5-ring PAH benzo(a)pyrene degraded more slowly than phenathrene or fluoranthene. Bacterial, archaeal and fungal communities were all significantly affected by PAH amendment, time and their interaction. Based on analysis of clone libraries, Actinobacteria appeared to dominate in fluoranthene amended soil, although they also represented a significant portion of the diversity in phenanthrene amended and unamended soils. In addition there appeared to be more γ-Proteobacteria and less Bacteroidetes in soil amended with either PAH compared to the control. The soil bacterial community clearly possessed the potential to degrade PAHs as evidenced by the abundance of PAH ring hydroxylating (PAH-RHDα) genes from both gram negative (GN) and gram positive (GP) bacteria in PAH-amended and control soils. Although the dioxygenase gene from GP bacteria was less abundant in soil than the gene associated with GN bacteria, significant (p PAH-RHDα gene were observed during phenanthrene and fluoranthene degradation, whereas there was no significant difference in the abundance of the GN PAH-RHDα gene during the course of the experiment. Few studies to-date have examined the effect of pollutants on more than one microbial community in soil. The current study provides

  2. Revisiting shape selectivity in liquid chromatography for polycyclic aromatic hydrocarbons (PAHs) - six-ring and seven-ring Cata-condensed PAH isomers of molecular mass 328 Da and 378 Da.

    Science.gov (United States)

    Oña-Ruales, Jorge O; Sander, Lane C; Wilson, Walter B; Wise, Stephen A

    2018-01-01

    The relationship of reversed-phase liquid chromatography (RPLC) retention on a polymeric C 18 stationary phase and the shape of polycyclic aromatic hydrocarbons (PAHs) was investigated for three-ring to seven-ring cata-condensed isomers. We report the first RPLC separation for six-ring and seven-ring cata-condensed PAH isomers. Correlations of LC retention and shape parameters (length-to-breath ratio, L/B and thickness, T) were investigated for 2 three-ring isomers (molecular mass 178 Da), 5 four-ring isomers (molecular mass 228 Da), 11 five-ring isomers (molecular mass 278 Da), 17 six-ring isomers (molecular mass 328 Da), and 20 seven-ring isomers (molecular mass 378 Da). Significant linear correlations were found for all isomer groups (r = 0.71 to 0.94). Nonplanarity of the PAH isomers was found to influence retention (i.e., nonplanar isomers eluting earlier than expected based on L/B) and linear correlations of retention vs. T for isomer groups containing nonplanar isomers were significant (r = 0.71 to 0.86). Graphical abstract.

  3. Energy of Intramolecular Hydrogen Bonding in ortho-Hydroxybenzaldehydes, Phenones and Quinones. Transfer of Aromaticity from ipso-Benzene Ring to the Enol System(s

    Directory of Open Access Journals (Sweden)

    Danuta Rusinska-Roszak

    2017-03-01

    Full Text Available Intramolecular hydrogen bonding (HB is one of the most studied noncovalent interactions of molecules. Many physical, spectral, and topological properties of compounds are under the influence of HB, and there are many parameters used to notice and to describe these changes. Hitherto, no general method of measurement of the energy of intramolecular hydrogen bond (EHB has been put into effect. We propose the molecular tailoring approach (MTA for EHB calculation, modified to apply it to Ar-O-H∙∙∙O=C systems. The method, based on quantum calculations, was checked earlier for hydroxycarbonyl-saturated compounds, and for structures with resonance-assisted hydrogen bonding (RAHB. For phenolic compounds, the accuracy, repeatability, and applicability of the method is now confirmed for nearly 140 structures. For each structure its aromaticity HOMA indices were calculated for the central (ipso ring and for the quasiaromatic rings given by intramolecular HB. The comparison of calculated HB energies and values of estimated aromaticity indices allowed us to observe, in some substituted phenols and quinones, the phenomenon of transfer of aromaticity from the ipso-ring to the H-bonded ring via the effect of electron delocalization.

  4. A novel method for the biosynthesis of deuterated proteins with selective protonation at the aromatic rings of Phe, Tyr and Trp

    International Nuclear Information System (INIS)

    Rajesh, Sundaresan; Nietlispach, Daniel; Nakayama, Hiroshi; Takio, Koji; Laue, Ernest D.; Shibata, Takehiko; Ito, Yutaka

    2003-01-01

    A novel biosynthetic strategy is described for the preparation of deuterated proteins containing protons at the ring carbons of Phe, Tyr and Trp, using the aromatic amino acid precursor shikimic acid. Specific protonation at aromatic side chains, with complete deuteration at C α/β positions was achieved in proteins overexpressed in bacteria grown in shikimate-supplemented D 2 O medium. Co-expression of a shikimate transporter in prototrophic bacteria resulted in protonation levels of 62-79%, whereas complete labeling was accomplished using shikimate auxotrophic bacteria. Our labeling protocol permits the measurement of important aromatic side chain derived distance restraints in perdeuterated proteins that could be utilized to enhance the accuracy of NMR structures calculated using low densities of NOEs from methyl selectively protonated samples

  5. Analysis of polycyclic aromatic hydrocarbons in tree-rings of Masson pine (Pinus massoniana L.) from two industrial sites in the Pearl River Delta, south China.

    Science.gov (United States)

    Kuang, Yuan-wen; Zhou, Guo-yi; Wen, Da-zhi; Li, Jiong; Sun, Fang-fang

    2011-09-01

    Concentrations of polycyclic aromatic hydrocarbons (PAHs) were examined and potential sources of PAHs were identified from the dated tree-rings of Masson pine (Pinus massoniana L.) near two industrial sites (Danshuikeng, DSK and Xiqiaoshan, XQS) in the Pearl River Delta of south China. Total concentrations of PAHs (∑PAHs) were revealed with similar patterns of temporal trends in the tree-rings at both sites, suggesting tree-rings recorded the historical variation in atmospheric PAHs. The differences of individual PAHs and of ∑PAHs detected in the tree-rings between the two sites reflected the historical differences of airborne PAHs. Regional changes in industrial activities might contribute to the site-specific and period-specific patterns of the tree-ring PAHs. The diagnostic PAH ratios of Ant/(Ant + PA), FL/(FL + Pyr), and BaA/(BaA + Chr)) revealed that PAHs in the tree-rings at both sites mainly stemmed from the combustion process (pyrogenic sources). Principal component analysis further confirmed that wood burning, coal combustion, diesel, and gasoline-powered vehicular emissions were the dominant contributors of PAHs sources at DSK, while diesel combustion, gasoline and natural gas combustion, and incomplete coal combustion were responsible for the main origins of PAHs at XQS. Tree-ring analysis of PAHs was indicative of PAHs from a mixture of sources of combustion, thus minimizing the bias of short-term active air sampling.

  6. The Broken Ring: Reduced Aromaticity in Lys-Trp Cations and High pH Tautomer Correlates with Lower Quantum Yield and Shorter Lifetimes

    Science.gov (United States)

    2015-01-01

    Several nonradiative processes compete with tryptophan fluorescence emission. The difficulty in spectral interpretation lies in associating specific molecular environmental features with these processes and thereby utilizing the fluorescence spectral data to identify the local environment of tryptophan. Here, spectroscopic and molecular modeling study of Lys-Trp dipeptide charged species shows that backbone-ring interactions are undistinguished. Instead, quantum mechanical ground state isosurfaces reveal variations in indole π electron distribution and density that parallel charge (as a function of pK1, pK2, and pKR) on the backbone and residues. A pattern of aromaticity-associated quantum yield and fluorescence lifetime changes emerges. Where quantum yield is high, isosurfaces have a charge distribution similar to the highest occupied molecular orbital (HOMO) of indole, which is the dominant fluorescent ground state of the 1La transition dipole moment. Where quantum yield is low, isosurface charge distribution over the ring is uneven, diminished, and even found off ring. At pH 13, the indole amine is deprotonated, and Lys-Trp quantum yield is extremely low due to tautomer structure that concentrates charge on the indole amine; the isosurface charge distribution bears scant resemblance to the indole HOMO. Such greatly diminished fluorescence has been observed for proteins where the indole nitrogen is hydrogen bonded, lending credence to the association of aromaticity changes with diminished quantum yield in proteins as well. Thus tryptophan ground state isosurfaces are an indicator of indole aromaticity, signaling the partition of excitation energy between radiative and nonradiative processes. PMID:24882092

  7. Two-dimensional inorganic–organic hybrid semiconductors composed of double-layered ZnS and monoamines with aromatic and heterocyclic aliphatic rings: Syntheses, structures, and properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Sujing; Li, Jing, E-mail: jingli@rutgers.edu

    2015-04-15

    As an addition to the II–VI based inorganic–organic hybrid semiconductor family, five new two-dimensional (2D) double-layered structures have been synthesized employing monoamines with different aromatic or heterocyclic aliphatic rings. Zn{sub 2}S{sub 2}(bza) (1), Zn{sub 2}S{sub 2}(mbza) (2), Zn{sub 2}S{sub 2}(fbza) (3), Zn{sub 2}S{sub 2}(pca) (4), and Zn{sub 2}S{sub 2}(thfa) (5) (bza=benzylamine, mbza=4-methoxybenzylamine, fbza=4-flurobenzylamine, pca=3-picolylamine, and thfa=tetrahydrofurfurylamine) are prepared by solvothermal reactions and characterized by different analytical methods, including powder X-ray diffraction, optical diffuse reflection, thermogravimetric analysis and photoluminescence spectroscopy. The powder X-ray diffraction patterns show that all five compounds adopt 2D double-layered structures. Optical diffuse reflectance spectra of these compounds suggest that they have notably lower band gaps than those of the similar compounds composed of aliphatic alkyl amines. Their photoluminescence properties and thermal stability are also analyzed. - Graphical abstract: Five new members of two-dimensional double-layered 2D-Zn{sub 2}S{sub 2}(L) (L=Ligand) structures employing monoamines with different aromatic or heterocyclic aliphatic rings have been designed, synthesized, and characterized. - Highlights: • A new sub-family of II-VI based hybrid semiconductors are designed, synthesized, and structurally characterized using amines with aromatic or aliphatic cyclic rings. • These compounds have notably lower band gaps than those made of aliphatic alkyl amines, greatly broadening the range of band gaps of this material family. • They emit strongly with systematically tunable emission intensity and energy.

  8. Two-dimensional inorganic–organic hybrid semiconductors composed of double-layered ZnS and monoamines with aromatic and heterocyclic aliphatic rings: Syntheses, structures, and properties

    International Nuclear Information System (INIS)

    Wang, Sujing; Li, Jing

    2015-01-01

    As an addition to the II–VI based inorganic–organic hybrid semiconductor family, five new two-dimensional (2D) double-layered structures have been synthesized employing monoamines with different aromatic or heterocyclic aliphatic rings. Zn 2 S 2 (bza) (1), Zn 2 S 2 (mbza) (2), Zn 2 S 2 (fbza) (3), Zn 2 S 2 (pca) (4), and Zn 2 S 2 (thfa) (5) (bza=benzylamine, mbza=4-methoxybenzylamine, fbza=4-flurobenzylamine, pca=3-picolylamine, and thfa=tetrahydrofurfurylamine) are prepared by solvothermal reactions and characterized by different analytical methods, including powder X-ray diffraction, optical diffuse reflection, thermogravimetric analysis and photoluminescence spectroscopy. The powder X-ray diffraction patterns show that all five compounds adopt 2D double-layered structures. Optical diffuse reflectance spectra of these compounds suggest that they have notably lower band gaps than those of the similar compounds composed of aliphatic alkyl amines. Their photoluminescence properties and thermal stability are also analyzed. - Graphical abstract: Five new members of two-dimensional double-layered 2D-Zn 2 S 2 (L) (L=Ligand) structures employing monoamines with different aromatic or heterocyclic aliphatic rings have been designed, synthesized, and characterized. - Highlights: • A new sub-family of II-VI based hybrid semiconductors are designed, synthesized, and structurally characterized using amines with aromatic or aliphatic cyclic rings. • These compounds have notably lower band gaps than those made of aliphatic alkyl amines, greatly broadening the range of band gaps of this material family. • They emit strongly with systematically tunable emission intensity and energy

  9. Effect of aromatization of the ring on intramolecular H-bond in 3-hydroxy-4-formylo derivatives of fulvene

    Science.gov (United States)

    Oziminski, Wojciech P.; Krygowski, Tadeusz M.

    2011-06-01

    DFT optimization of H-bonded 3-hydroxy-4-formylo derivatives of fulvene aromatized by amino substitution at C6 or by complexation with Li atom was performed using the B3LYP functional together with 6-311+G(d,p) basis set. Several aromaticity indicators (HOMA, NICS, pEDA and Shannon aromaticity) confirm an increase of aromaticity in the sequence: fulvene, 6-aminofulvene, Li-complex with fulvene and in the case of H-bonded 3-hydroxy-4-formylo derivatives, exhibited in the same sequence an increase of H-bond strength estimated by direct comparison of energy for H-bonded and open conformations, as well as by using AIM based electron densities at bond critical point.

  10. A physically interpretable quantum-theoretic QSAR for some carbonic anhydrase inhibitors with diverse aromatic rings, obtained by a new QSAR procedure.

    Science.gov (United States)

    Clare, Brian W; Supuran, Claudiu T

    2005-03-15

    A QSAR based almost entirely on quantum theoretically calculated descriptors has been developed for a large and heterogeneous group of aromatic and heteroaromatic carbonic anhydrase inhibitors, using orbital energies, nodal angles, atomic charges, and some other intuitively appealing descriptors. Most calculations have been done at the B3LYP/6-31G* level of theory. For the first time we have treated five-membered rings by the same means that we have used for benzene rings in the past. Our flip regression technique has been expanded to encompass automatic variable selection. The statistical quality of the results, while not equal to those we have had with benzene derivatives, is very good considering the noncongeneric nature of the compounds. The most significant correlation was with charge on the atoms of the sulfonamide group, followed by the nodal orientation and the solvation energy calculated by COSMO and the charge polarization of the molecule calculated as the mean absolute Mulliken charge over all atoms.

  11. Recent Studies on the Aromaticity and Antiaromaticity of Planar Cyclooctatetraene

    Directory of Open Access Journals (Sweden)

    Masahiko Iyoda

    2010-02-01

    Full Text Available Cyclooctatetraene (COT, the first 4nπ-electron system to be studied, adopts an inherently nonplanar tub-shaped geometry of D2d symmetry with alternating single and double bonds, and hence behaves as a nonaromatic polyene rather than an antiaromatic compound. Recently, however, considerable 8π-antiaromatic paratropicity has been shown to be generated in planar COT rings even with the bond alternated D4h structure. In this review, we highlight recent theoretical and experimental studies on the antiaromaticity of hypothetical and actual planar COT. In addition, theoretically predicted triplet aromaticity and stacked aromaticity of planar COT are also briefly described.

  12. A highly sensitive monoclonal antibody based biosensor for quantifying 3–5 ring polycyclic aromatic hydrocarbons (PAHs in aqueous environmental samples

    Directory of Open Access Journals (Sweden)

    Xin Li

    2016-03-01

    Full Text Available Immunoassays based on monoclonal antibodies (mAbs are highly sensitive for the detection of polycyclic aromatic hydrocarbons (PAHs and can be employed to determine concentrations in near real-time. A sensitive generic mAb against PAHs, named as 2G8, was developed by a three-step screening procedure. It exhibited nearly uniformly high sensitivity against 3-ring to 5-ring unsubstituted PAHs and their common environmental methylated PAHs, with IC50 values between 1.68 and 31 μg/L (ppb. 2G8 has been successfully applied on the KinExA Inline Biosensor system for quantifying 3–5 ring PAHs in aqueous environmental samples. PAHs were detected at a concentration as low as 0.2 μg/L. Furthermore, the analyses only required 10 min for each sample. To evaluate the accuracy of the 2G8-based biosensor, the total PAH concentrations in a series of environmental samples analyzed by biosensor and GC–MS were compared. In most cases, the results yielded a good correlation between methods. This indicates that generic antibody 2G8 based biosensor possesses significant promise for a low cost, rapid method for PAH determination in aqueous samples. Keywords: Monoclonal antibody, PAH, Pore water, Biosensor, Pyrene

  13. Improved DNA clamps by stacking to adjacent nucleobases

    DEFF Research Database (Denmark)

    Fatthalla, M.I.; Pedersen, Erik Bjerregaard

    2012-01-01

    Three or four aromatic rings interconnected by acetylene bridges form a stiff conjugated system with sufficient conformational freedom to make it useful to link together the two strands of a DNA clamp. Upon targeting a ssDNA, the conformational flexibility allows better stacking of the linker...... to the underlying non-planar base triplet in the formed triplex. This type of triplexes has a substantially higher thermal melting temperature which can be further improved by inserting locked nucleic acids (LNAs) in the Hoogsteen part of the clamp. An extremely high sensitivity to mismatches is observed...

  14. Stacking with stochastic cooling

    Energy Technology Data Exchange (ETDEWEB)

    Caspers, Fritz E-mail: Fritz.Caspers@cern.ch; Moehl, Dieter

    2004-10-11

    Accumulation of large stacks of antiprotons or ions with the aid of stochastic cooling is more delicate than cooling a constant intensity beam. Basically the difficulty stems from the fact that the optimized gain and the cooling rate are inversely proportional to the number of particles 'seen' by the cooling system. Therefore, to maintain fast stacking, the newly injected batch has to be strongly 'protected' from the Schottky noise of the stack. Vice versa the stack has to be efficiently 'shielded' against the high gain cooling system for the injected beam. In the antiproton accumulators with stacking ratios up to 10{sup 5} the problem is solved by radial separation of the injection and the stack orbits in a region of large dispersion. An array of several tapered cooling systems with a matched gain profile provides a continuous particle flux towards the high-density stack core. Shielding of the different systems from each other is obtained both through the spatial separation and via the revolution frequencies (filters). In the 'old AA', where the antiproton collection and stacking was done in one single ring, the injected beam was further shielded during cooling by means of a movable shutter. The complexity of these systems is very high. For more modest stacking ratios, one might use azimuthal rather than radial separation of stack and injected beam. Schematically half of the circumference would be used to accept and cool new beam and the remainder to house the stack. Fast gating is then required between the high gain cooling of the injected beam and the low gain stack cooling. RF-gymnastics are used to merge the pre-cooled batch with the stack, to re-create free space for the next injection, and to capture the new batch. This scheme is less demanding for the storage ring lattice, but at the expense of some reduction in stacking rate. The talk reviews the 'radial' separation schemes and also gives some

  15. High affinity RNA targeting by oligonucleotides displaying aromatic stacking and amino groups in the major groove. Comparison of triazoles and phenylsubstituents

    DEFF Research Database (Denmark)

    Kumar, Pawan; Hornum, Mick; Nielsen, Lise Junker

    2014-01-01

    Three 5-modified 2'-deoxyuridine nucleosides were synthesized and incorporated into oligonucleotides and compared with the previously published 5-(1-phenyl-1,2,3-triazol-4-yl)-2'-deoxyuridine monomer W. The introduction of an aminomethyl group on the phenyl group led to monomer X, which was found...... to thermally stabilize a 9-mer DNA:RNA duplex, presumably through the partial neutralization of the negative charge of the backbone. By also taking advantage of the stacking interactions in the major groove of two or more of the monomer X, an extremely high thermal stability was obtained. A regioisomer...... monomer Z was incorporated for comparison, and it was found to give a more neutral influence on duplex stability indicating less efficient stacking interactions. The duplexes were investigated by CD spectroscopy and MD simulations....

  16. The effect of β-saturated pyrrolic rings on the electronic structures and aromaticity of magnesium porphyrin derivatives: a density functional study.

    Science.gov (United States)

    Wan, Liang; Qi, Dongdong; Zhang, Yuexing

    2011-09-01

    Density functional theory (DFT) calculation on the molecular structures, molecular orbitals, electronic absorption spectra, and magnetic properties of magnesium porphyrin (MgPor) and a series of five hydrogenated magnesium porphyrin complexes with different number of β-saturated pyrrolic rings, namely MgPor-β-1Hy, MgPor-β-opp-2Hy, MgPor-β-adj-2Hy, MgPor-β-3Hy, and MgPor-β-4Hy, clarifies the red-shift of the lowest energy absorption band from chlorophyll a to bacteriochlorophyll and reveals the strong chemical stability for both of them. The energy levels of highest occupied molecular orbitals (HOMO) and HOMO-1 for MgPor are reversed upon hydrogenation at β-positions (2 and 3, 7 and 8, 12 and 13, and 17 and 18) of porphyrin ring. Along with the increase of β-saturated pyrrolic rings from 1, 2, 3, to 4, the HOMO energy increases from -4.78 eV to -3.10 eV in a regular manner. In contrast, the lowest unoccupied molecular orbitals (LUMO) energy levels of MgPor, MgPor-β-1Hy, and MgPor-β-opp-2Hy are very similar with each other. As a result, the lowest energy absorption band involving main transition from HOMO to LUMO is red-shifted from MgPor-β-1Hy to MgPor-β-opp-2Hy which is representative of chlorophyll a and bacteriochlorophyll, respectively. Natural hydroporphyrins represented by MgPor, MgPor-β-1Hy, and MgPor-β-opp-2Hy have turned out to be aromatic and stable enough, in good accordance with the ubiquity of their derivatives in the nature. In contrast, MgPor-β-adj-2Hy, MgPor-β-3Hy, and MgPor-β-4Hy with relatively weak aromaticity seem to be unstable and therefore were not found in nature. Copyright © 2011 Elsevier Inc. All rights reserved.

  17. Modulation of ethoxyresorufin O-deethylase and glutathione S-transferase activities in Nile tilapia (Oreochromis niloticus) by polycyclic aromatic hydrocarbons containing two to four rings: implications in biomonitoring aquatic pollution.

    Science.gov (United States)

    Pathiratne, Asoka; Hemachandra, Chamini K

    2010-08-01

    Despite ubiquity of polycyclic aromatic hydrocarbons (PAHs) in the tropical environments, little information is available concerning responses of tropical fish to PAHs and associated toxicity. In the present study, effects of five PAHs containing two to four aromatic rings on hepatic CYP1A dependent ethoxyresorufin O-deethylase (EROD), glutathione S-transferase (GST) and serum sorbitol dehydrogenase (SDH) activities in Nile tilapia, a potential fish species for biomonitoring pollution in tropical waters, were evaluated. Results showed that EROD activities were induced by the PAHs containing four aromatic rings (pyrene and chrysene) in a dose dependent manner. However PAHs with two to three aromatic rings (naphthalene, phenanthrene and fluoranthene) caused no effect or inhibition of EROD activities depending on the dose and the duration. Fluoranthene was the most potent inhibitor. SDH results demonstrated that high doses of fluoranthene induced hepatic damage. GST activity was induced by the lowest dose of phenanthrene, fluoranthene and chrysene but high doses had no effect. The results indicate that induction of EROD enzyme in Nile tilapia is a useful biomarker of exposure to PAHs such as pyrene and chrysene. However EROD inhibiting PAHs such as fluoranthene in the natural environment may modulate the EROD inducing potential of other PAHs thereby influencing PAH exposure assessments.

  18. Influence of fused aromatic ring on the stability of charge transfer complex between iodine and some five membered heterocyclic molecules through ultrasonic and spectral studies

    Science.gov (United States)

    Ulagendran, V.; Balu, P.; Kannappan, V.; Kumar, R.; Jayakumar, S.

    2017-08-01

    The charge transfer (CT) interaction between two fused heterocyclic compounds with basic pyrrole group as donors, viz., indole (IND) and carbazole (CAR), and iodine (acceptor) in DMSO medium is investigated by ultrasonic and UV-visible spectral methods at 303 K. The formation of CT complex in these systems is established from the trend in acoustical and excess thermo acoustical properties with molar concentration. The frequency acoustic spectra (FAS) is also carried out on these two systems for two fixed concentrations 0.002 M and 0.02 M, and in the frequency range 1 MHz-10 MHz to justify the frequency chosen for ultrasonic study. The absorption coefficient values in solution are computed and discussed. The formation constants of these complexes are determined using Kannappan equation in ultrasonic method. The formation of 1:1 complexes between iodine and IND, CAR was established by the theory of Benesi - Hildebrand in the UV-visible spectroscopic method. The stability constants of the CT complexes determined by spectroscopic and ultrasonic methods show a similar trend. These values also indicate that the presence of fused aromatic ring influences significantly when compared with K values of similar CT complexes of parent five membered heterocyclic compound (pyrrole) reported by us earlier.

  19. Insights into the Reaction Mechanism of Aromatic Ring Cleavage by Homogentisate Dioxygenase: A Quantum Mechanical/Molecular Mechanical Study.

    Science.gov (United States)

    Qi, Yue; Lu, Jiarui; Lai, Wenzhen

    2016-05-26

    To elucidate the reaction mechanism of the ring cleavage of homogentisate by homogentisate dioxygenase, quantum mechanical/molecular mechanical (QM/MM) calculations were carried out by using two systems in different protonation states of the substrate C2 hydroxyl group. When the substrate C2 hydroxyl group is ionized (the ionized pathway), the superoxo attack on the substrate is the rate-limiting step in the catalytic cycle, with a barrier of 15.9 kcal/mol. Glu396 was found to play an important role in stabilizing the bridge species and its O-O cleavage product by donating a proton via a hydrogen-bonded water molecule. When the substrate C2 hydroxyl group is not ionized (the nonionized pathway), the O-O bond cleavage of the bridge species is the rate-limiting step, with a barrier of 15.3 kcal/mol. The QM/MM-optimized geometries for the dioxygen and alkylperoxo complexes using the nonionized model (for the C2 hydroxyl group) are in agreement with the experimental crystal structures, suggesting that the C2 hydroxyl group is more likely to be nonionized.

  20. Cardiac toxicity of 5-ring polycyclic aromatic hydrocarbons is differentially dependent on the aryl hydrocarbon receptor 2 isoform during zebrafish development

    International Nuclear Information System (INIS)

    Incardona, John P.; Linbo, Tiffany L.; Scholz, Nathaniel L.

    2011-01-01

    Petroleum-derived compounds, including polycyclic aromatic hydrocarbons (PAHs), commonly occur as complex mixtures in the environment. Recent studies using the zebrafish experimental model have shown that PAHs are toxic to the embryonic cardiovascular system, and that the severity and nature of this developmental cardiotoxicity varies by individual PAH. In the present study we characterize the toxicity of the relatively higher molecular weight 5-ring PAHs benzo[a]pyrene (BaP), benzo[e]pyrene (BeP), and benzo[k]fluoranthene (BkF). While all three compounds target the cardiovascular system, the underlying role of the ligand-activated aryl hydrocarbon receptor (AHR2) and the tissue-specific induction of the cytochrome p450 metabolic pathway (CYP1A) were distinct for each. BaP exposure (40 μM) produced AHR2-dependent bradycardia, pericardial edema, and myocardial CYP1A immunofluorescence. By contrast, BkF exposure (4–40 μM) caused more severe pericardial edema, looping defects, and erythrocyte regurgitation through the atrioventricular valve that were AHR2-independent (i.e., absent myocardial or endocardial CYP1A induction). Lastly, exposure to BeP (40 μM) yielded a low level of CYP1A+ signal in the vascular endothelium of the head and trunk, without evident toxic effects on cardiac function or morphogenesis. Combined with earlier work on 3- and 4-ring PAHs, our findings provide a more complete picture of how individual PAHs may drive the cardiotoxicity of mixtures in which they predominate. This will improve toxic injury assessments and risk assessments for wild fish populations that spawn in habitats altered by overlapping petroleum-related human impacts such as oil spills, urban stormwater runoff, or sediments contaminated by legacy industrial activities. -- Highlights: ► PAH compounds with 5 rings in different arrangements caused differential tissue-specific patterns of CYP1A induction in zebrafish embryos. ► These compounds produced differential cardiac

  1. Literature Survey and Further Studies on the 3-Alkylation of N-Unprotected 3-Monosubstituted Oxindoles. Practical Synthesis of N-Unprotected 3,3-Disubstituted Oxindoles and Subsequent Transformations on the Aromatic Ring.

    Science.gov (United States)

    Kókai, Eszter; Simig, Gyula; Volk, Balázs

    2016-12-26

    The paper provides a comprehensive review of the base-catalysed C3-alkylation of N-unprotected-3-monosubstituted oxindoles. Based on a few, non-systematic studies described in the literature using butyllithium as the deprotonating agent, an optimized method has now been elaborated, via the corresponding lithium salt, for the selective C3-alkylation of this family of compounds. The optimal excess of butyllithium and alkylating agent, and the role of the halogen atom in the latter (alkyl bromides vs. iodides) were also studied. The alkylation protocol has also been extended to some derivatives substituted at the aromatic ring. Finally, various substituents were introduced into the aromatic ring of the N-unprotected 3,3-dialkyloxindoles obtained by this optimized method.

  2. Literature Survey and Further Studies on the 3-Alkylation of N-Unprotected 3-Monosubstituted Oxindoles. Practical Synthesis of N-Unprotected 3,3-Disubstituted Oxindoles and Subsequent Transformations on the Aromatic Ring

    Directory of Open Access Journals (Sweden)

    Eszter Kókai

    2016-12-01

    Full Text Available The paper provides a comprehensive review of the base-catalysed C3-alkylation of N-unprotected-3-monosubstituted oxindoles. Based on a few, non-systematic studies described in the literature using butyllithium as the deprotonating agent, an optimized method has now been elaborated, via the corresponding lithium salt, for the selective C3-alkylation of this family of compounds. The optimal excess of butyllithium and alkylating agent, and the role of the halogen atom in the latter (alkyl bromides vs. iodides were also studied. The alkylation protocol has also been extended to some derivatives substituted at the aromatic ring. Finally, various substituents were introduced into the aromatic ring of the N-unprotected 3,3-dialkyloxindoles obtained by this optimized method.

  3. Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.

    Science.gov (United States)

    Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako

    2016-06-06

    We have newly synthesized two solution-stable luminescent dinuclear copper(I) complexes, [Cu2(μ-I)2(dpppy)2] (Cu-py) and [Cu2(μ-I)2(dpppyz)2] (Cu-pyz), where dpppy = 2,3-bis(diphenylphosphino)pyridine and dpppyz = 2,3-bis(diphenylphosphino)pyrazine, using chelating diphosphine ligands composed of N-heteroaromatic rings. X-ray analysis clearly indicates that the molecular structures of Cu-py and Cu-pyz are almost identical with that of the parent complex, [Cu2(μ-I)2(dppb)2] [Cu-bz; dppb = 2,3-bis(diphenylphosphino)benzene]. Complexes Cu-py and Cu-pyz exhibit luminescence [emission quantum yield (Φem) = 0.48 and 0.02, respectively] in the solid state at 298 K. A wide emission color tuning, from 497 to 638 nm (energy = 0.55 eV, with an emission color ranging from green to reddish-orange), was achieved in the solid state by the introduction of pyridinic N atoms into the bridging phenyl group between the two diphenylphosphine groups. Density functional theory calculations suggest that the emission could originate from the effective combination of the metal-to-ligand charge-transfer excited state with the halide-to-ligand charge-transfer excited state. Thus, the emission color change is due to stabilization of the π* levels of the central aryl group in the diphosphine ligand. Furthermore, these copper(I) complexes exhibit thermally activated delayed fluorescence at 298 K because of the small singlet-triplet energy difference (ΔE = 523 and 564 cm(-1) for Cu-py and Cu-pyz, respectively). The stability of these complexes in chloroform, due to the rigid bonds between the diphosphine ligands and the Cu(I) ions, enables the preparation of emissive poly(methyl methacrylate) films by the solution-doping technique.

  4. Extent of intramolecular pi stacks in aqueous solution in mixed-ligand copper(II) complexes formed by heteroaromatic amines and the anticancer and antivirally active 9[2-(phosphonomethoxy)ethyl]guanine (PMEG). A comparison with related acyclic nucleotide analogues

    Czech Academy of Sciences Publication Activity Database

    Blindauer, C. A.; Sigel, A.; Operschall, B. P.; Griesser, R.; Holý, Antonín; Sigel, H.

    2016-01-01

    Roč. 103, Jan 8 (2016), s. 248-260 ISSN 0277-5387 Institutional support: RVO:61388963 Keywords : anticancer activity * antivirals * aromatic-ring stacking * isomeric equilibria * nucleotide analogues Subject RIV: CC - Organic Chemistry Impact factor: 1.926, year: 2016

  5. Algebraic stacks

    Indian Academy of Sciences (India)

    Deligne, Mumford and Artin [DM, Ar2]) and consider algebraic stacks, then we can cons- truct the 'moduli ... the moduli scheme and the moduli stack of vector bundles. First I will give ... 1–31. © Printed in India. 1 ...... Cultura, Spain. References.

  6. [Comparative study of aromatic ring meta-cleavage enzymes in Pseudomonas strains with plasmid and chromosomal genetic control of the catabolism of biphenyl and m-toluate].

    Science.gov (United States)

    Selifonov, S A; Starozoĭtov, I I

    1990-12-01

    It was shown that two different enzymes of aromatic ring oxidative meta-cleavage (2,3-dihydroxybiphenyl-1,2-dioxygenase), DBO and catechol-2,3-dioxygenase, C230) function in Pseudomonas strains with a plasmid and chromosomal genetic control of biphenyl and toluate catabolism. A comparative analysis of DBO's and C230's expressed by the pBS241 biphenyl degradative plasmid in P. putida BS893, pBS311 in P. putida U83, chromosomal genes in P. putida BF and C230 from P. putida PaW160 (pWWO) was carried out. It was found that the DBO's of all strains under study are highly specialized enzymes in respect of 2,3-dihydroxybiphenyl cleavage and are also able to cleave 3-methyl-catechol and catechol (but not 4-methylcatechol) at low rates. In contrast with DBO's, in Pseudomonas strains the substrate specificities of all C230's are variable. The C230's expressed by the D-plasmids pBS241 and pBC311 have a moderate affinity for catechol, 3-methyl- and 4-methylcatechol, but are unable to cleave 2,3-dihydroxybiphenyl. The C230 which is encoded by the chromosomal structure gene from P. putida BF is very similar to C230 which codes for the TOL-plasmid pWWO. These plasmid differ from C230's expressed by biphenyl D-plasmids due to their capability to cleave 2,3-dihydroxybiphenyl in addition to catechol cleavage. All DBO's and C230's under study possess a number of properties that are typical for the enzymes having an oxidative meta-cleaving effect. The different roles of these enzymes in biphenyl and toluate catabolism in Pseudomonas strains are discussed.

  7. Purification of water polluted with oil and sulfurous closed-ring and aromatic compounds contained in oil and oil products using bacteria relating to thiosphaera

    International Nuclear Information System (INIS)

    Kurashov, V.M.; Sakhno, T.V.; Gavrilov, V.S.; Zijatdinov, R.N.

    2005-01-01

    The intensity of natural purification (self-purification) of reservoirs polluted with oil and oil products is determined by microorganisms. Hydrocarbon-oxidizing microorganisms are constant natural constituent of biocenose in reservoirs. However, as a result of outflows, the oil and oil products concentration exceeds maximum values allowing normal vital functions of microorganisms resulting in breaking micro-biocenose suppression of vital functions of bacteria. In this regard, elective anaerobic microorganisms of Thiosphaera are worthy of notice. We found out that bacteria belonging to Thiosphaera pantotropha decomposed oil at high oil concentrations in water (at oil concentration like 1 liter of oil in 1 liter of water). And this is when aerobic microorganisms lose their vital functions at maximum concentration of 20 g of oil in 1 liter of water. To intensify the process of oil decomposition we emulsified oil with aqueous solutions of salts. Thiosphaera pantotropha are found out to decompose oil in a wide range of ratio between oil and aqueous solutions of salts: from 1:10 to 10:1. The water solutions salinity made from 20 g/l to 80 g/l. It must be noticed that, since the Thiosphaera pantotropha are elective anaerobes and decompose oil both in presence and in absence of oxygen, it is not necessary anymore to conduct the process under strictly anaerobic conditions and to supply additional oxygen. This makes it possible to simplify the process of biodegradation of oil and to make this process practically more feasible and economically more profitable being compared to the processes based on the use of other species of bacteria. We found out that Thiosphaera decompose sulfurous closed-ring and aromatic compounds in oil which are chemically and thermally stable and can be hardly decomposed, and possess extremely poisonous properties, as well. The use of microorganisms of Thiosphaera pantotropha allows to purify waters polluted with oil and oil products both during

  8. Flexural characteristics of a stack leg

    International Nuclear Information System (INIS)

    Cook, J.

    1979-06-01

    A 30 MV tandem Van de Graaff accelerator is at present under construction at Daresbury Laboratory. The insulating stack of the machine is of modular construction, each module being 860 mm in length. Each live section stack module contains 8 insulating legs mounted between bulkhead rings. The design, fabrication (from glass discs bonded to stainless steel discs using an epoxy film adhesive) and testing of the stack legs is described. (U.K.)

  9. The effect of the position of oxygen group to the aromatic ring to emission performance in a heavy-duty diesel engine

    NARCIS (Netherlands)

    Zhou, L.; Boot, M.D.; Goey, de L.P.H.

    2012-01-01

    In this paper the soot-NOx trade-off and fuel efficiency of various aromatic oxygenates is investigated in a modern DAF heavy-duty diesel engine. All oxygenates were blended to diesel fuel such that the blend oxygen concentration was 2.59 wt.-%. The oxygenates in question, anisole, benzyl alcohol

  10. Dependency of the regio- and stereoselectivity of intramolecular, ring-closing glycosylations upon the ring size

    Directory of Open Access Journals (Sweden)

    Patrick Claude

    2011-12-01

    Full Text Available Phenyl 3,4,6-tri-O-benzyl-2-O-(3-carboxypropionyl-1-thio-β-D-galactopyranoside (1 was condensed via its pentafluorophenyl ester 2 with 5-aminopentyl (4a, 4-aminobutyl (4b, 3-aminopropyl (4c and 2-aminoethyl 4,6-O-benzylidene-β-D-glucopyranoside (4d, prepared from the corresponding N-Cbz protected glucosides 3a–d, to give the corresponding 2-[3-(alkylcarbamoylpropionyl] tethered saccharides 5a–d. Intramolecular, ring closing glycosylation of the saccharides with NIS and TMSOTf afforded the tethered β(1→3 linked disaccharides 6a–c, the α(1→3 linked disaccharides 7a–d and the α(1→2 linked disaccharide 8d in ratios depending upon the ring size formed during glycosylation. No β(1→2 linked disaccharides were formed. Molecular modeling of saccharides 6–8 revealed that a strong aromatic stacking interaction between the aromatic parts of the benzyl and benzylidene protecting groups in the galactosyl and glucosyl moieties was mainly responsible for the observed regioselectivity and anomeric selectivity of the ring-closing glycosylation step.

  11. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    International Nuclear Information System (INIS)

    Rajagopal, Appavu; Deepa, Mohan; Govindaraju, Munisamy

    2016-01-01

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”

  12. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopal, Appavu; Deepa, Mohan [Molecular Biophysics Unit, Indian Institute of Sciences-Bangalore, Karnataka (India); Govindaraju, Munisamy [Bio-Spatial Technology Research Unit, Department of Environmental Biotechnology, School of Environmental Sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu (India)

    2016-02-26

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”.

  13. Occurrence and stability of lone pair–π stacking interactions between ribose and nucleobases in functional RNAs

    KAUST Repository

    Chawla, Mohit; Chermak, Edrisse; Zhang, Qingyun; Bujnicki, Janusz M.; Oliva, Romina; Cavallo, Luigi

    2017-01-01

    The specific folding pattern and function of RNA molecules lies in various weak interactions, in addition to the strong base-base pairing and stacking. One of these relatively weak interactions, characterized by the stacking of the O4′ atom of a ribose on top of the heterocycle ring of a nucleobase, has been known to occur but has largely been ignored in the description of RNA structures. We identified 2015 ribose–base stacking interactions in a high-resolution set of non-redundant RNA crystal structures. They are widespread in structured RNA molecules and are located in structural motifs other than regular stems. Over 50% of them involve an adenine, as we found ribose-adenine contacts to be recurring elements in A-minor motifs. Fewer than 50% of the interactions involve a ribose and a base of neighboring residues, while approximately 30% of them involve a ribose and a nucleobase at least four residues apart. Some of them establish inter-domain or inter-molecular contacts and often implicate functionally relevant nucleotides. In vacuo ribose-nucleobase stacking interaction energies were calculated by quantum mechanics methods. Finally, we found that lone pair–π stacking interactions also occur between ribose and aromatic amino acids in RNA–protein complexes.

  14. Occurrence and stability of lone pair–π stacking interactions between ribose and nucleobases in functional RNAs

    KAUST Repository

    Chawla, Mohit

    2017-08-18

    The specific folding pattern and function of RNA molecules lies in various weak interactions, in addition to the strong base-base pairing and stacking. One of these relatively weak interactions, characterized by the stacking of the O4′ atom of a ribose on top of the heterocycle ring of a nucleobase, has been known to occur but has largely been ignored in the description of RNA structures. We identified 2015 ribose–base stacking interactions in a high-resolution set of non-redundant RNA crystal structures. They are widespread in structured RNA molecules and are located in structural motifs other than regular stems. Over 50% of them involve an adenine, as we found ribose-adenine contacts to be recurring elements in A-minor motifs. Fewer than 50% of the interactions involve a ribose and a base of neighboring residues, while approximately 30% of them involve a ribose and a nucleobase at least four residues apart. Some of them establish inter-domain or inter-molecular contacts and often implicate functionally relevant nucleotides. In vacuo ribose-nucleobase stacking interaction energies were calculated by quantum mechanics methods. Finally, we found that lone pair–π stacking interactions also occur between ribose and aromatic amino acids in RNA–protein complexes.

  15. In situ determination of the depuration of three- and four-ringed polycyclic aromatic hydrocarbons co-adsorbed onto mangrove leaf surfaces

    International Nuclear Information System (INIS)

    Sun, Haifeng; Shi, Jing; Guo, Shuai; Zhang, Yong; Duan, Lusha

    2016-01-01

    A dual-wavelength fiber-optic fluorimetry for the in situ simultaneous determinations of fluorene (Flu), phenanthrene (Phe) and pyrene (Pyr) adsorbed onto the leaf surfaces of living Avicennia marina (Am) seedling were developed and used to study the depuration kinetics of the three PAHs, adsorbed individually or mixed together, onto living Am leaf surfaces. Limits of detection for the in situ measurements of adsorbed Flu, Phe and Pyr were 4.62, 2.75 and 1.38 ng spot"−"1, respectively. The depuration kinetics of the three selected polycyclic aromatic hydrocarbons (PAHs) are divided into rapid and slow phases; both phases followed the same first-order kinetics with relative clearance rates of Flu > Phe > Pyr during the rapid phase, and a clearance rate order of Pyr > Flu > Phe during the slow phase. For the three PAHs co-adsorbed on living Am leaf surfaces, a significant synergistic effect was detected during the rapid phase clearance; conversely, an antagonistic effect was observed during the slow phase. However, the synergistic effect dominated during both phases of the depuration process, and the co-adsorption of PAHs promoted the clearance of all three compounds from the mangrove leaf surfaces. These findings demonstrate a novel analytical method for in situ characterization of multiple PAHs adsorbed onto the plant surfaces. - Highlights: • A novel method for the in situ determination of multi-component PAHs was developed. • Synergistic and antagonistic effects separately occurred over rapid and slow phases. • The clearance of all three PAHs from leaf surfaces was promoted by co-adsorption. - The co-adsorption of PAHs promoted the depuration of all three compounds from the mangrove leaf surfaces.

  16. A Three-Ring Circus: Metabolism of the Three Proteogenic Aromatic Amino Acids and Their Role in the Health of Plants and Animals

    Science.gov (United States)

    Parthasarathy, Anutthaman; Cross, Penelope J.; Dobson, Renwick C. J.; Adams, Lily E.; Savka, Michael A.; Hudson, André O.

    2018-01-01

    Tyrosine, phenylalanine and tryptophan are the three aromatic amino acids (AAA) involved in protein synthesis. These amino acids and their metabolism are linked to the synthesis of a variety of secondary metabolites, a subset of which are involved in numerous anabolic pathways responsible for the synthesis of pigment compounds, plant hormones and biological polymers, to name a few. In addition, these metabolites derived from the AAA pathways mediate the transmission of nervous signals, quench reactive oxygen species in the brain, and are involved in the vast palette of animal coloration among others pathways. The AAA and metabolites derived from them also have integral roles in the health of both plants and animals. This review delineates the de novo biosynthesis of the AAA by microbes and plants, and the branching out of AAA metabolism into major secondary metabolic pathways in plants such as the phenylpropanoid pathway. Organisms that do not possess the enzymatic machinery for the de novo synthesis of AAA must obtain these primary metabolites from their diet. Therefore, the metabolism of AAA by the host animal and the resident microflora are important for the health of all animals. In addition, the AAA metabolite-mediated host-pathogen interactions in general, as well as potential beneficial and harmful AAA-derived compounds produced by gut bacteria are discussed. Apart from the AAA biosynthetic pathways in plants and microbes such as the shikimate pathway and the tryptophan pathway, this review also deals with AAA catabolism in plants, AAA degradation via the monoamine and kynurenine pathways in animals, and AAA catabolism via the 3-aryllactate and kynurenine pathways in animal-associated microbes. Emphasis will be placed on structural and functional aspects of several key AAA-related enzymes, such as shikimate synthase, chorismate mutase, anthranilate synthase, tryptophan synthase, tyrosine aminotransferase, dopachrome tautomerase, radical dehydratase, and type

  17. Study on the polarity, solubility, and stacking characteristics of asphaltenes

    KAUST Repository

    Zhang, Long-li; Yang, Guo-hua; Wang, Ji-Qian; Li, Yan; Li, Li; Yang, Chao-he

    2014-01-01

    The structure and transformation of fused aromatic ring system in asphaltenes play an important role in the character of asphaltenes, and in step affect the properties of heavy oils. Polarity, solubility and structural characteristics of asphaltenes

  18. Pi-pi Stacking Mediated Cooperative Mechanism for Human Cytochrome P450 3A4

    Directory of Open Access Journals (Sweden)

    Botao Fa

    2015-04-01

    Full Text Available Human Cytochrome P450 3A4 (CYP3A4 is an important member of the cytochrome P450 superfamily with responsibility for metabolizing ~50% of clinical drugs. Experimental evidence showed that CYP3A4 can adopt multiple substrates in its active site to form a cooperative binding model, accelerating substrate metabolism efficiency. In the current study, we constructed both normal and cooperative binding models of human CYP3A4 with antifungal drug ketoconazoles (KLN. Molecular dynamics simulation and free energy calculation were then carried out to study the cooperative binding mechanism. Our simulation showed that the second KLN in the cooperative binding model had a positive impact on the first one binding in the active site by two significant pi-pi stacking interactions. The first one was formed by Phe215, functioning to position the first KLN in a favorable orientation in the active site for further metabolism reactions. The second one was contributed by Phe304. This pi-pi stacking was enhanced in the cooperative binding model by the parallel conformation between the aromatic rings in Phe304 and the dioxolan moiety of the first KLN. These findings can provide an atomic insight into the cooperative binding in CYP3A4, revealing a novel pi-pi stacking mechanism for drug-drug interactions.

  19. Influence of methoxy- and nitro-substitutions in the aromatic ring on proton donation ability in hydrogen bond and on the amino group parameters of free and H-bonded molecules of 2-aminopyrimidine

    Science.gov (United States)

    Borisenko, V. E.; Krekov, S. A.; Fomenko, M. Yu.; Koll, A.; Lipkovski, P.

    2008-06-01

    Amino- and imino- forms of pyrimidine are widely presented as part of antibiotics, corrective medications for heart failures and metabolic stimulators. Hydrogen bonding is one of the fundamental interactions between biologically active molecules. This type of interactions provides flexibility, speed and variety of the biochemical processes. Proton donation properties of aminopyrimidines significantly depend on the position, number and kind of the substituent in its aromatic ring. In present work we studied the influence of the methoxy- and nitro-substitutions in the phenyl radical of pyridine and pyrimidine cycles on the proton donation ability of the amino group in hydrogen bonds as well as on its geometrical, force, electro-optical and thermodynamical characteristics in free and H-bonded (1:1 and 1:2, with various proton acceptors) molecules of primary aromatic amines. Acetonitrile, dioxane, tetrahydrofourane, dimethylformamide, dimethylsulfoxide and hexamethylphosphoramide (whose proton accepting properties vary within a wide range) were used as proton acceptors in our research. In the region of the amino group stretching and deformation vibrations the IR spectra of free and H-bonded (1:1) molecules of 2-amino-4,6-dimethoxy- and 2-amino-5-nitropyrimidine were studied in complexes with proton acceptors in CCl 4 within the temperature range 288-328 K. The spectra of 1:2 complexes were studied in undiluted aprotic solvents. The following spectral characteristics of absorption bands in amino group stretching vibrations were determined: M(0) (zero spectral moment, integrated intensity B); M(1) (first spectral moment, band "centre of gravity"); effective half width, related to the second central moment (Δ ν1/2) eff = 2( M(2)) 1/2, frequencies of the deformation vibrations δ(HNH) of free and H-bonded molecules. It was shown that changes of the absorption band spectral characteristics of the amino group stretching and deformation vibrations in the analyzed

  20. Ring Theory

    CERN Document Server

    Jara, Pascual; Torrecillas, Blas

    1988-01-01

    The papers in this proceedings volume are selected research papers in different areas of ring theory, including graded rings, differential operator rings, K-theory of noetherian rings, torsion theory, regular rings, cohomology of algebras, local cohomology of noncommutative rings. The book will be important for mathematicians active in research in ring theory.

  1. Test Accumulation Ring for NUMATRON Project - TARN -

    International Nuclear Information System (INIS)

    Hirao, Y.; Chida, K.; Hattori, T.; Hori, T.; Katayama, T.

    1979-03-01

    TARN is now under construction at INS, University of Tokyo. Heavy ions from the SF Cyclotron such as N 5+ with an energy of 8.5 MeV per nucleon, are planned to be injected and stacked in the ring by a combination of multiturn injection and RF stacking method. Expected intensity of the stacked beam, e.g. N 5+ , is 2 x 10 10 particles, and survival rate of 90% is anticipated at the pressure of 1 x 10 -10 torr during a stacking time of 1 sec. In this paper the present status of the ring is described as well as the performances of the major subsystems. (author)

  2. Frictional forces in an SOFC stack with sliding seals

    Energy Technology Data Exchange (ETDEWEB)

    Yamazaki, T; Oishi, N; Namikawa, T; Yamazaki, Y [Tokyo Institute of Technology, Tokyo (Japan)

    1996-06-05

    The detrimental thermal stresses in planar SOFC stacks can be reduced using sliding seals. In the proposal planar stack the electrolyte film is sandwiched by YSZ support rings to release the thermal stresses. In order to estimate the strength of the support ring, the frictional forces between heat resistant alloy and YSZ were measured at 900{degree}C. The coefficient of friction between Hastelloy X and YSZ increased when they were measured lifter 144h heating. However, the coefficient of friction between HA-214 and YSZ did not increase. The measurement and a calculation of the stresses in the support rings led the result that a thickness of 0.6mm was necessary for 200mm diameter support rings under a stack pressure of 0.1kgcm{sup -2}. 6 refs., 9 figs., 1 tab.

  3. Aromatic graphene

    Energy Technology Data Exchange (ETDEWEB)

    Das, D. K., E-mail: gour.netai@gmail.com [Department of Metallurgical and Material Science Engineering, National Institute of Technology Durgapur-713209, West Bengal (India); Sahoo, S., E-mail: sukadevsahoo@yahoo.com [Department of Physics, National Institute of Technology Durgapur-713209, West Bengal (India)

    2016-04-13

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  4. Aromatic graphene

    International Nuclear Information System (INIS)

    Das, D. K.; Sahoo, S.

    2016-01-01

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  5. Theoretical study on effects of curvature of graphene in conjunction with simultaneous anion- and - stacking interactions

    Directory of Open Access Journals (Sweden)

    Pouya Karimi

    2015-12-01

    Full Text Available A graphene sheet (C102H30 has been rolled up by computational quantum chemistry methods to construct single-walled carbon nanotube fragments (SWCNTFs. The anion-π interactions of F- anion together with π-π stacking interactions of benzene on inner face and outer face of the central rings of SWCNTFs have been concurrently investigated. Structural parameters and energy data of the ternary benzene-SWCNTF-F- complexes were considered. Also, effects of charge transfer and aromaticity were estimated to determine how curvature of graphene influences on simultaneous anion-π and π-π stacking interactions.  Results indicate that curvature of graphene leads to structural changes in SWCNTFs which effects on simultaneous interactions of F- anion and benzene with SWCNTFs. Also, results show that although p-p stacking is a weak interaction, but it can impact on order of binding energies in complexes involved both p-p stacking and anion-p interactions. 

  6. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    of electron-trapping by aromatic compounds grafted to silicone backbones in a crosslinked PDMS is illustrated in Fig. 1. The electrical breakdown strength, the storage modulus and the loss modulus of the elastomer were investigated, as well as the excitation energy from the collision between electron carriers...... and benzene rings in PDMS-PPMS copolymer was measured by UV-vis spectroscopy. The developed elastomers were inherently soft with enhanced electrical breakdown strength due to delocalized pi-electrons of aromatic rings attached to the silicone backbone. The dielectric relative permittivity of PDMS...

  7. Hexacoordinate bonding and aromaticity in silicon phthalocyanine.

    Science.gov (United States)

    Yang, Yang

    2010-12-23

    Si-E bondings in hexacoordinate silicon phthalocyanine were analyzed using bond order (BO), energy partition, atoms in molecules (AIM), electron localization function (ELF), and localized orbital locator (LOL). Bond models were proposed to explain differences between hexacoordinate and tetracoordinate Si-E bondings. Aromaticity of silicon phthalocyanine was investigated using nucleus-independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), conceptual density functional theory (DFT), ring critical point (RCP) descriptors, and delocalization index (DI). Structure, energy, bonding, and aromaticity of tetracoordinate silicon phthalocyanine were studied and compared with hexacoordinate one.

  8. OpenStack essentials

    CERN Document Server

    Radez, Dan

    2015-01-01

    If you need to get started with OpenStack or want to learn more, then this book is your perfect companion. If you're comfortable with the Linux command line, you'll gain confidence in using OpenStack.

  9. Stack gas treatment

    Science.gov (United States)

    Reeves, Adam A.

    1977-04-12

    Hot stack gases transfer contained heat to a gravity flow of pebbles treated with a catalyst, cooled stacked gases and a sulfuric acid mist is withdrawn from the unit, and heat picked up by the pebbles is transferred to air for combustion or other process. The sulfuric acid (or sulfur, depending on the catalyst) is withdrawn in a recovery unit.

  10. Mastering OpenStack

    CERN Document Server

    Khedher, Omar

    2015-01-01

    This book is intended for system administrators, cloud engineers, and system architects who want to deploy a cloud based on OpenStack in a mid- to large-sized IT infrastructure. If you have a fundamental understanding of cloud computing and OpenStack and want to expand your knowledge, then this book is an excellent checkpoint to move forward.

  11. Self-assembled electrical materials from contorted aromatics

    Science.gov (United States)

    Xiao, Shengxiong

    This thesis describes the design, synthesis, self-assembly and electrical properties of new types of contorted polycyclic aromatic hydrocarbons. These topologically interesting contorted aromatics show promising transistor characteristics as new building blocks for organic field-effect transistors (OFETs) at different length scales. In chapter 2, a class of pentacenes that are substituted along their long edges with aromatic rings were synthesized. Their solid-state assemblies were studied by X-ray crystallography. Their performance as thin film transistors (TFTs) and single crystal field effect transistors (SCFETs) were systematically evaluated. A structure-property relationship between these highly phenylated pentacenes was found. Chapter 3 explores the new concept of whether a non-planar aromatic core could yield efficacious electronic materials, as the ultimate success in the organic electronics will require a holistic approach to creating new building blocks. Synthesis, functionalization and assembly of a new type of contorted hexabenzocoronene (HBC) whose aromatic core is heavily distorted away from planarity due to the steric congestion around its proximal carbons were discussed. Structural studies by X-ray crystallography showed that these HBC molecules stack into columnar structures in the solid state, which are ideal for conduction. Chapter 4 describes that microscale liquid crystalline thin film OFETs of tetradodecyloxy HBC showed the best transistor properties of all discotic columnar materials. Chapter 5 details the fabrication and characterization of nanoscale single crystalline fiber OFETs of octadodecyloxyl HBC. In Chapter 6 we show that a molecular scale monolayer of HBC acid chlorides could be self-assembled on SiO2 insulating layer and could be organized laterally between the ends of 2 nm carbon nanotube gaps to form high quality FETs that act as environmental and chemical sensors. Chapter 7 details the enforced one-dimensional photoconductivity

  12. Specific Noncovalent Association of Chiral Large-Ring Hexaimines: Ion Mobility Mass Spectrometry and PM7 Study.

    Science.gov (United States)

    Troć, Anna; Gajewy, Jadwiga; Danikiewicz, Witold; Kwit, Marcin

    2016-09-05

    Ion mobility mass spectrometry and PM7 semiempirical calculations are effective complementary methods to study gas phase formation of noncovalent complexes from vaselike macrocycles. The specific association of large-ring chiral hexaimines, derived from enantiomerically pure trans-1,2-diaminocyclohexane and various isophthaldehydes, is driven mostly by CH-π and π-π stacking interactions. The isotrianglimine macrocycles are prone to form two types of aggregates: tail-to-tail and head-to-head (capsule) dimers. The stability of the tail-to-tail dimers is affected by the size and electronic properties of the substituents at the C-5 position of the aromatic ring. Electron-withdrawing groups stabilize the aggregate, whereas bulky or electron-donating groups destabilize the complexes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Black rings

    International Nuclear Information System (INIS)

    Emparan, Roberto; Reall, Harvey S

    2006-01-01

    A black ring is a five-dimensional black hole with an event horizon of topology S 1 x S 2 . We provide an introduction to the description of black rings in general relativity and string theory. Novel aspects of the presentation include a new approach to constructing black ring coordinates and a critical review of black ring microscopics. (topical review)

  14. Stacking the Equiangular Spiral

    OpenAIRE

    Agrawal, A.; Azabi, Y. O.; Rahman, B. M.

    2013-01-01

    We present an algorithm that adapts the mature Stack and Draw (SaD) methodology for fabricating the exotic Equiangular Spiral Photonic Crystal Fiber. (ES-PCF) The principle of Steiner chains and circle packing is exploited to obtain a non-hexagonal design using a stacking procedure based on Hexagonal Close Packing. The optical properties of the proposed structure are promising for SuperContinuum Generation. This approach could make accessible not only the equiangular spiral but also other qua...

  15. White Ring; White ring

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, H.; Yuzawa, H. [Nikken Sekkei Ltd., Osaka (Japan)

    1998-01-05

    White Ring is a citizen`s gymnasium used for figure skating and short track speed skating games of 18th Winter Olympic Games in 1998. White Ring is composed of a main-arena and a sub-arena. For the main-arena with an area 41mtimes66m, an ice link can be made by disengaging the potable floor and by flowing brine in the bridged polystyrene pipes embedded in the concrete floor. Due to the fortunate groundwater in this site, well water is used for the outside air treatment energy in 63% during heating and in 35% during cooling. Ammonia is used as a cooling medium for refrigerating facility. For the heating of audience area in the large space, heat load from the outside is reduced by enhancing the heat insulation performance of the roof of arena. The audience seats are locally heated using heaters. For the White Ring, high quality environment is realized for games through various functions of the large-scale roof of the large space. Success of the big event was expected. 15 figs., 4 tabs.

  16. Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications

    Science.gov (United States)

    Thompson, Mark E.; Diev, Viacheslav; Hanson, Kenneth; Forrest, Stephen R.

    2015-08-18

    A compound that can be used as a donor material in organic photovoltaic devices comprising a non-activated porphyrin fused with one or more non-activated polycyclic aromatic rings or one or more non-activated heterocyclic rings can be obtained by a thermal fusion process. The compounds can include structures of Formula I: ##STR00001## By heating the reaction mixture of non-activated porphyrins with non-activated polycyclic aromatic rings or heterocyclic rings to a fusion temperature and holding for a predetermined time, fusion of one or more polycyclic rings or heterocyclic rings to the non-activated porphyrin core in meso,.beta. fashion is achieved resulting in hybrid structures containing a distorted porphyrin ring with annulated aromatic rings. The porphyrin core can be olygoporphyrins.

  17. Towards stacked zone plates

    International Nuclear Information System (INIS)

    Werner, S; Rehbein, S; Guttman, P; Heim, S; Schneider, G

    2009-01-01

    Fresnel zone plates are the key optical elements for soft and hard x-ray microscopy. For short exposure times and minimum radiation load of the specimen the diffraction efficiency of the zone plate objectives has to be maximized. As the efficiency strongly depends on the height of the diffracting zone structures the achievable aspect ratio of the nanostructures determines these limits. To reach aspect ratios ≥ 20:1 for high efficient optics we propose to superimpose zone plates on top of each other. With this multiplication approach the final aspect ratio is only limited by the number of stacked zone plate layers. For the stack process several nanostructuring process steps have to be developed and/or improved. Our results show for the first time two layers of zone plates stacked on top of each other.

  18. Stochastic stacking without filters

    International Nuclear Information System (INIS)

    Johnson, R.P.; Marriner, J.

    1982-12-01

    The rate of accumulation of antiprotons is a critical factor in the design of p anti p colliders. A design of a system to accumulate higher anti p fluxes is presented here which is an alternative to the schemes used at the CERN AA and in the Fermilab Tevatron I design. Contrary to these stacking schemes, which use a system of notch filters to protect the dense core of antiprotons from the high power of the stack tail stochastic cooling, an eddy current shutter is used to protect the core in the region of the stack tail cooling kicker. Without filters one can have larger cooling bandwidths, better mixing for stochastic cooling, and easier operational criteria for the power amplifiers. In the case considered here a flux of 1.4 x 10 8 per sec is achieved with a 4 to 8 GHz bandwidth

  19. Stack filter classifiers

    Energy Technology Data Exchange (ETDEWEB)

    Porter, Reid B [Los Alamos National Laboratory; Hush, Don [Los Alamos National Laboratory

    2009-01-01

    Just as linear models generalize the sample mean and weighted average, weighted order statistic models generalize the sample median and weighted median. This analogy can be continued informally to generalized additive modeels in the case of the mean, and Stack Filters in the case of the median. Both of these model classes have been extensively studied for signal and image processing but it is surprising to find that for pattern classification, their treatment has been significantly one sided. Generalized additive models are now a major tool in pattern classification and many different learning algorithms have been developed to fit model parameters to finite data. However Stack Filters remain largely confined to signal and image processing and learning algorithms for classification are yet to be seen. This paper is a step towards Stack Filter Classifiers and it shows that the approach is interesting from both a theoretical and a practical perspective.

  20. Interrelation of Entropic Contributors to π -Stacking in Solution

    Science.gov (United States)

    Starodub, Maria A.; Lantushenko, Anastasia O.; Evstigneev, Vladislav P.; Golovchenko, Igor V.; Mykhina, Yulia V.; Savin, Valery V.; Evstigneev, Maxim P.

    2016-08-01

    The recently published most complete set of thermodynamical data on self- and hetero-complexation of aromatic molecules measured under comparable experimental conditions were analyzed. The main aim of this study is to get insights into contribution of various entropic factors to π -stacking in aqueous solution. It was found that the experimental entropy change on π -stacking is determined by counterbalancing effects of two principal factors, i.e., the hydrophobic interaction (positive contribution) and the loss of degrees of freedom (negative contribution) modulated by the electrostatic contribution. Other factors, including the mixing entropy contribution, were shown to be less important.

  1. Vortex rings

    CERN Document Server

    Akhmetov, D G

    2009-01-01

    This text on vortex rings covers their theoretical foundation, systematic investigations, and practical applications such as the extinction of fires at gushing oil wells. It pays special attention to the formation and motion of turbulent vortex rings.

  2. Laser pulse stacking method

    Science.gov (United States)

    Moses, E.I.

    1992-12-01

    A laser pulse stacking method is disclosed. A problem with the prior art has been the generation of a series of laser beam pulses where the outer and inner regions of the beams are generated so as to form radially non-synchronous pulses. Such pulses thus have a non-uniform cross-sectional area with respect to the outer and inner edges of the pulses. The present invention provides a solution by combining the temporally non-uniform pulses in a stacking effect to thus provide a more uniform temporal synchronism over the beam diameter. 2 figs.

  3. Learning SaltStack

    CERN Document Server

    Myers, Colton

    2015-01-01

    If you are a system administrator who manages multiple servers, then you know how difficult it is to keep your infrastructure in line. If you've been searching for an easier way, this book is for you. No prior experience with SaltStack is required.

  4. Preparation for electron ring - plasma ring merging experiments in RECE-MERGE

    International Nuclear Information System (INIS)

    Taggart, D.; Sekiguchi, A.; Fleischmann, H.H.

    1986-01-01

    The formation of a mixed-CT using relativistic electron rings and gun-produced plasma rings by MERGE-ing them axially is simulated. This process is similar to the axial stacking of relativistic electron rings in RECE-Christa. The results of their first plasm production experiment are reported here. After study of the gun-produced plasma's properties is completed, the gun will be mounted at the downstream end of the vacuum tank and the source of relativistic electron rings will be at the upstream end. The two rings, formed at opposite ends of the tank, will be translated axially and merged

  5. Transformations of Aromatic Compounds by Nitrosomonas europaea

    OpenAIRE

    Keener, William K.; Arp, Daniel J.

    1994-01-01

    Benzene and a variety of substituted benzenes inhibited ammonia oxidation by intact cells of Nitrosomonas europaea. In most cases, the inhibition was accompanied by transformation of the aromatic compound to a more oxidized product or products. All products detected were aromatic, and substituents were often oxidized but were not separated from the benzene ring. Most transformations were enhanced by (NH4)2SO4 (12.5 mM) and were prevented by C2H2, a mechanism-based inactivator of ammonia monoo...

  6. Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins.

    Science.gov (United States)

    Balakrishnan, Swati; Sarma, Siddhartha P

    2017-08-22

    Aromatic interactions are an important force in protein folding as they combine the stability of a hydrophobic interaction with the selectivity of a hydrogen bond. Much of our understanding of aromatic interactions comes from "bioinformatics" based analyses of protein structures and from the contribution of these interactions to stabilizing secondary structure motifs in model peptides. In this study, the structural consequences of aromatic interactions on protein folding have been explored in engineered mutants of the molten globule protein apo-cytochrome b 5 . Structural changes from disorder to order due to aromatic interactions in two variants of the protein, viz., WF-cytb5 and FF-cytb5, result in significant long-range secondary and tertiary structure. The results show that 54 and 52% of the residues in WF-cytb5 and FF-cytb5, respectively, occupy ordered regions versus 26% in apo-cytochrome b 5 . The interactions between the aromatic groups are offset-stacked and edge-to-face for the Trp-Phe and Phe-Phe mutants, respectively. Urea denaturation studies indicate that both mutants have a C m higher than that of apo-cytochrome b 5 and are more stable to chaotropic agents than apo-cytochrome b 5 . The introduction of these aromatic residues also results in "trimer" interactions with existing aromatic groups, reaffirming the selectivity of the aromatic interactions. These studies provide insights into the aromatic interactions that drive disorder-to-order transitions in intrinsically disordered regions of proteins and will aid in de novo protein design beyond small peptide scaffolds.

  7. Degradation of aromatic compounds in plants grown under aseptic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Mithaishvili, T.; Ugrekhelidze, D.; Tsereteli, B.; Sadunishvili, T.; Kvesitadze, G. [Durmishidze Inst. of Biochemistry and Biotechnology, Academy of Sciences of Georgia, Tbilisi (Georgia); Scalla, R. [Lab. des Xenobiotiques, INRA, Toulouse (France)

    2005-02-01

    The aim of the work is to investigate the ability of higher plants to absorb and detoxify environmental pollutants - aromatic compounds via aromatic ring cleavage. Transformation of {sup 14}C specifically labelled benzene derivatives, [1-6-{sup 14}C]-nitrobenzene, [1-6-{sup 14}C]-aniline, [1-{sup 14}C]- and [7-{sup 14}C]-benzoic acid, in axenic seedlings of maize (Zea mays L.), kidney bean (Phaseolus vulgaris L.), pea (Pisum sativum L.) and pumpkin (Cucurbita pepo L.) were studied. After penetration in plants, the above xenobiotics are transformed by oxidative or reductive reactions, conjugation with cell endogenous compounds, and binding to biopolymers. The initial stage of oxidative degradation consists in hydroxylation reactions. The aromatic ring can then be cleaved and degraded into organic acids of the Krebs cycle. Ring cleavage is accompanied by {sup 14}CO{sub 2} evolution. Aromatic ring cleavage in plants has thus been demonstrated for different xenobiotics carrying different substitutions on their benzene ring. Conjugation with low molecular peptides is the main pathway of aromatic xenobiotics detoxification. Peptide conjugates are formed both by the initial xenobiotics (except nitrobenzene) and by intermediate transformation products. The chemical nature of the radioactive fragment and the amino acid composition of peptides participating in conjugation were identified. (orig.)

  8. OpenStack cloud security

    CERN Document Server

    Locati, Fabio Alessandro

    2015-01-01

    If you are an OpenStack administrator or developer, or wish to build solutions to protect your OpenStack environment, then this book is for you. Experience of Linux administration and familiarity with different OpenStack components is assumed.

  9. Stacked magnet superconducting bearing

    International Nuclear Information System (INIS)

    Rigney, T.K. II; Saville, M.P.

    1993-01-01

    A superconducting bearing is described, comprising: a plurality of permanent magnets magnetized end-to-end and stacked side-by-side in alternating polarity, such that flux lines flow between ends of adjacent magnets; isolating means, disposed between said adjacent magnets, for reducing flux leakage between opposing sides of said adjacent magnets; and a member made of superconducting material having at least one surface in communication with said flux lines

  10. Iridium Interfacial Stack (IRIS)

    Science.gov (United States)

    Spry, David James (Inventor)

    2015-01-01

    An iridium interfacial stack ("IrIS") and a method for producing the same are provided. The IrIS may include ordered layers of TaSi.sub.2, platinum, iridium, and platinum, and may be placed on top of a titanium layer and a silicon carbide layer. The IrIS may prevent, reduce, or mitigate against diffusion of elements such as oxygen, platinum, and gold through at least some of its layers.

  11. Quantized Self-Assembly of Discotic Rings in a Liquid Crystal Confined in Nanopores

    Science.gov (United States)

    Sentker, Kathrin; Zantop, Arne W.; Lippmann, Milena; Hofmann, Tommy; Seeck, Oliver H.; Kityk, Andriy V.; Yildirim, Arda; Schönhals, Andreas; Mazza, Marco G.; Huber, Patrick

    2018-02-01

    Disklike molecules with aromatic cores spontaneously stack up in linear columns with high, one-dimensional charge carrier mobilities along the columnar axes, making them prominent model systems for functional, self-organized matter. We show by high-resolution optical birefringence and synchrotron-based x-ray diffraction that confining a thermotropic discotic liquid crystal in cylindrical nanopores induces a quantized formation of annular layers consisting of concentric circular bent columns, unknown in the bulk state. Starting from the walls this ring self-assembly propagates layer by layer towards the pore center in the supercooled domain of the bulk isotropic-columnar transition and thus allows one to switch on and off reversibly single, nanosized rings through small temperature variations. By establishing a Gibbs free energy phase diagram we trace the phase transition quantization to the discreteness of the layers' excess bend deformation energies in comparison to the thermal energy, even for this near room-temperature system. Monte Carlo simulations yielding spatially resolved nematic order parameters, density maps, and bond-orientational order parameters corroborate the universality and robustness of the confinement-induced columnar ring formation as well as its quantized nature.

  12. MEAN STACK WEB DEVELOPMENT

    OpenAIRE

    Le Thanh, Nghi

    2017-01-01

    The aim of the thesis is to provide a universal website using JavaScript as the main programming language. It also shows the basic parts anyone need to create a web application. The thesis creates a simple CMS using MEAN stack. MEAN is a collection of JavaScript based technologies used to develop web application. It is an acronym for MongoDB, Express, AngularJS and Node.js. It also allows non-technical users to easily update and manage a website’s content. But the application also lets o...

  13. Die-stacking architecture

    CERN Document Server

    Xie, Yuan

    2015-01-01

    The emerging three-dimensional (3D) chip architectures, with their intrinsic capability of reducing the wire length, promise attractive solutions to reduce the delay of interconnects in future microprocessors. 3D memory stacking enables much higher memory bandwidth for future chip-multiprocessor design, mitigating the ""memory wall"" problem. In addition, heterogenous integration enabled by 3D technology can also result in innovative designs for future microprocessors. This book first provides a brief introduction to this emerging technology, and then presents a variety of approaches to design

  14. Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

    Science.gov (United States)

    Veljković, Dušan Ž

    2018-03-01

    Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Asymmetric Flexible Supercapacitor Stack

    Directory of Open Access Journals (Sweden)

    Leela Mohana Reddy A

    2008-01-01

    Full Text Available AbstractElectrical double layer supercapacitor is very significant in the field of electrical energy storage which can be the solution for the current revolution in the electronic devices like mobile phones, camera flashes which needs flexible and miniaturized energy storage device with all non-aqueous components. The multiwalled carbon nanotubes (MWNTs have been synthesized by catalytic chemical vapor deposition technique over hydrogen decrepitated Mischmetal (Mm based AB3alloy hydride. The polymer dispersed MWNTs have been obtained by insitu polymerization and the metal oxide/MWNTs were synthesized by sol-gel method. Morphological characterizations of polymer dispersed MWNTs have been carried out using scanning electron microscopy (SEM, transmission electron microscopy (TEM and HRTEM. An assymetric double supercapacitor stack has been fabricated using polymer/MWNTs and metal oxide/MWNTs coated over flexible carbon fabric as electrodes and nafion®membrane as a solid electrolyte. Electrochemical performance of the supercapacitor stack has been investigated using cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy.

  16. Overlap knock-out effects in the CERN intersecting storage rings (ISR)

    CERN Document Server

    Gourber, J P; Myers, S

    1977-01-01

    Overlap knock-out arises from an overlap between frequencies present in a bunched beam and the betatron frequencies in a stack. The 'single ring' effect in the interaction of a bunched beam with a stack in the same ring. Here the coupling forces are fairly linear and are transmitted by machine elements. The 'two-ring' effect is the interaction of a bunched beam with a stack in the other ring. Here the coupling forces are nonlinear since they are produced by the beam-beam interaction. A brief outline of the general theory of these effects is given. The single ring and two-ring dipole effects have been observed and shown to cause a large increase in the transverse size of the stacked beam. (4 refs).

  17. ring system

    African Journals Online (AJOL)

    1,3,2-DIAZABORACYCLOALKANE. RING SYSTEM. Negussie Retta" and Robert H. Neilson. 'Department of Chemistry, Addis Ababa University, P.O. Box 1176, Addis Ababa, Ethiopia. Department of Chemistry, Texas Christian University.

  18. Planetary Rings

    Science.gov (United States)

    Nicholson, P. D.

    2001-11-01

    A revolution in the studies in planetary rings studies occurred in the period 1977--1981, with the serendipitous discovery of the narrow, dark rings of Uranus, the first Voyager images of the tenuous jovian ring system, and the many spectacular images returned during the twin Voyager flybys of Saturn. In subsequent years, ground-based stellar occultations, HST observations, and the Voyager flybys of Uranus (1986) and Neptune (1989), as well as a handful of Galileo images, provided much additional information. Along with the completely unsuspected wealth of detail these observations revealed came an unwelcome problem: are the rings ancient or are we privileged to live at a special time in history? The answer to this still-vexing question may lie in the complex gravitational interactions recent studies have revealed between the rings and their retinues of attendant satellites. Among the four known ring systems, we see elegant examples of Lindblad and corotation resonances (first invoked in the context of galactic disks), electromagnetic resonances, spiral density waves and bending waves, narrow ringlets which exhibit internal modes due to collective instabilities, sharp-edged gaps maintained via tidal torques from embedded moonlets, and tenuous dust belts created by meteoroid impact onto parent bodies. Perhaps most puzzling is Saturn's multi-stranded, clumpy F ring, which continues to defy a simple explanation 20 years after it was first glimpsed in grainy images taken by Pioneer 11. Voyager and HST images reveal a complex, probably chaotic, dynamical interaction between unseen parent bodies within this ring and its two shepherd satellites, Pandora and Prometheus. The work described here reflects contributions by Joe Burns, Jeff Cuzzi, Luke Dones, Dick French, Peter Goldreich, Colleen McGhee, Carolyn Porco, Mark Showalter, and Bruno Sicardy, as well as those of the author. This research has been supported by NASA's Planetary Geology and Geophysics program and the

  19. Beam dynamics in Compton ring gamma sources

    Directory of Open Access Journals (Sweden)

    Eugene Bulyak

    2006-09-01

    Full Text Available Electron storage rings of GeV energy with laser pulse stacking cavities are promising intense sources of polarized hard photons which, via pair production, can be used to generate polarized positron beams. In this paper, the dynamics of electron bunches circulating in a storage ring and interacting with high-power laser pulses is studied both analytically and by simulation. Both the common features and the differences in the behavior of bunches interacting with an extremely high power laser pulse and with a moderate pulse are discussed. Also considerations on particular lattice designs for Compton gamma rings are presented.

  20. Instant BlueStacks

    CERN Document Server

    Judge, Gary

    2013-01-01

    Get to grips with a new technology, understand what it is and what it can do for you, and then get to work with the most important features and tasks. A fast-paced, example-based approach guide for learning BlueStacks.This book is for anyone with a Mac or PC who wants to run Android apps on their computer. Whether you want to play games that are freely available for Android but not your computer, or you want to try apps before you install them on a physical device or use it as a development tool, this book will show you how. No previous experience is needed as this is written in plain English

  1. Zirconacyclopentadiene-annulated polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Kiel, Gavin R.; Ziegler, Micah S.; Tilley, T. Don

    2017-01-01

    Syntheses of large polycyclic aromatic hydrocarbons (PAHs) and graphene nanostructures demand methods that are capable of selectively and efficiently fusing large numbers of aromatic rings, yet such methods remain scarce. Herein, we report a new approach that is based on the quantitative intramolecular reductive cyclization of an oligo(diyne) with a low-valent zirconocene reagent, which gives a PAH with one or more annulated zirconacyclopentadienes (ZrPAHs). The efficiency of this process is demonstrated by a high-yielding fivefold intramolecular coupling to form a helical ZrPAH with 16 fused rings (from a precursor with no fused rings). Several other PAH topologies are also reported. Protodemetalation of the ZrPAHs allowed full characterization (including by X-ray crystallography) of PAHs containing one or more appended dienes with the ortho-quinodimethane (o-QDM) structure, which are usually too reactive for isolation and are potentially valuable for the fusion of additional rings by Diels-Alder reactions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Zirconacyclopentadiene-annulated polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kiel, Gavin R.; Ziegler, Micah S.; Tilley, T. Don [Department of Chemistry, University of California, Berkeley, CA (United States)

    2017-04-18

    Syntheses of large polycyclic aromatic hydrocarbons (PAHs) and graphene nanostructures demand methods that are capable of selectively and efficiently fusing large numbers of aromatic rings, yet such methods remain scarce. Herein, we report a new approach that is based on the quantitative intramolecular reductive cyclization of an oligo(diyne) with a low-valent zirconocene reagent, which gives a PAH with one or more annulated zirconacyclopentadienes (ZrPAHs). The efficiency of this process is demonstrated by a high-yielding fivefold intramolecular coupling to form a helical ZrPAH with 16 fused rings (from a precursor with no fused rings). Several other PAH topologies are also reported. Protodemetalation of the ZrPAHs allowed full characterization (including by X-ray crystallography) of PAHs containing one or more appended dienes with the ortho-quinodimethane (o-QDM) structure, which are usually too reactive for isolation and are potentially valuable for the fusion of additional rings by Diels-Alder reactions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Multipole Stack for the 800 MeV PS Booster

    CERN Multimedia

    1975-01-01

    The 800 MeV PS Booster had seen first beam in its 4 superposed rings in 1972, routine operation began in 1973. In the strive for ever higher beam intensities, the need for additional multipole lenses became evident. After detailed studies, the manufacture of 8 stacks of multipoles was launched in 1974. Each stack consists of 4 superposed multipoles and each multipole has 4 concentric shells. From the innermost to the outermost shell, Type A contains octupole, skew-octupole, sextupole, skew-sextupole. Type B contains skew-octupole, skew-sextupole, vertical dipole, horizontal dipole. Completion of installation in 1976 opened the way to higher beam intensities. M. Battiaz is seen here with a multipole stack and its many electrical connections.

  4. Birds and polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Albers, P.H.

    2006-01-01

    Polycyclic aromatic hydrocarbons (PAH) are present throughout the global environment and are produced naturally and by activities of humans. Effects of PAH on birds have been determined by studies employing egg injection, egg immersion, egg shell application, single and multiple oral doses, subcutaneous injection, and chemical analysis of field-collected eggs and tissue. The four-to six-ring aromatic compounds are the most toxic to embryos, young birds, and adult birds. For embryos, effects include death, developmental abnormalities, and a variety of cellular and biochemical responses. For adult and young birds, effects include reduced egg production and hatching, increased clutch or brood abandonment, reduced growth, increased organweights, and a variety of biochemical responses. Trophic level accumulation is unlikely. Environmental exposure to PAH in areas of high human population or habitats affected by recent petroleum spills might be sufficient to adversely affect reproduction. Evidence of long-term effects of elevated concentrations of environmental PAH on bird populations is very limited and the mechanisms of effect are unclear.

  5. Assessing Elementary Algebra with STACK

    Science.gov (United States)

    Sangwin, Christopher J.

    2007-01-01

    This paper concerns computer aided assessment (CAA) of mathematics in which a computer algebra system (CAS) is used to help assess students' responses to elementary algebra questions. Using a methodology of documentary analysis, we examine what is taught in elementary algebra. The STACK CAA system, http://www.stack.bham.ac.uk/, which uses the CAS…

  6. Spherical Torus Center Stack Design

    International Nuclear Information System (INIS)

    C. Neumeyer; P. Heitzenroeder; C. Kessel; M. Ono; M. Peng; J. Schmidt; R. Woolley; I. Zatz

    2002-01-01

    The low aspect ratio spherical torus (ST) configuration requires that the center stack design be optimized within a limited available space, using materials within their established allowables. This paper presents center stack design methods developed by the National Spherical Torus Experiment (NSTX) Project Team during the initial design of NSTX, and more recently for studies of a possible next-step ST (NSST) device

  7. Storage Rings

    International Nuclear Information System (INIS)

    Fischer, W.

    2010-01-01

    Storage rings are circular machines that store particle beams at a constant energy. Beams are stored in rings without acceleration for a number of reasons (Tab. 1). Storage rings are used in high-energy, nuclear, atomic, and molecular physics, as well as for experiments in chemistry, material and life sciences. Parameters for storage rings such as particle species, energy, beam intensity, beam size, and store time vary widely depending on the application. The beam must be injected into a storage ring but may not be extracted (Fig. 1). Accelerator rings such as synchrotrons are used as storage rings before and after acceleration. Particles stored in rings include electrons and positrons; muons; protons and anti-protons; neutrons; light and heavy, positive and negative, atomic ions of various charge states; molecular and cluster ions, and neutral polar molecules. Spin polarized beams of electrons, positrons, and protons were stored. The kinetic energy of the stored particles ranges from 10 -6 eV to 3.5 x 10 12 eV (LHC, 7 x 10 12 eV planned), the number of stored particles from one (ESR) to 1015 (ISR). To store beam in rings requires bending (dipoles) and transverse focusing (quadrupoles). Higher order multipoles are used to correct chromatic aberrations, to suppress instabilities, and to compensate for nonlinear field errors of dipoles and quadrupoles. Magnetic multipole functions can be combined in magnets. Beams are stored bunched with radio frequency systems, and unbunched. The magnetic lattice and radio frequency system are designed to ensure the stability of transverse and longitudinal motion. New technologies allow for better storage rings. With strong focusing the beam pipe dimensions became much smaller than previously possible. For a given circumference superconducting magnets make higher energies possible, and superconducting radio frequency systems allow for efficient replenishment of synchrotron radiation losses of large current electron or positron beams

  8. Aromater i drikkevand

    DEFF Research Database (Denmark)

    Nyeland, B. A.; Hansen, A. B.

    DMU har den 10. Juni 1997 afholdt en præstationsprøvning: Aromater i drikkevand. Der deltog 21 laboratorier i præstationsprøvningen. Prøvningen omfattede 6 vandige prøver og 6 ampuller indeholdende 6 aromater. Laboratorierne spikede de tilsendte vandprøver med indholdet fra ampullerne...

  9. Topological rings

    CERN Document Server

    Warner, S

    1993-01-01

    This text brings the reader to the frontiers of current research in topological rings. The exercises illustrate many results and theorems while a comprehensive bibliography is also included. The book is aimed at those readers acquainted with some very basic point-set topology and algebra, as normally presented in semester courses at the beginning graduate level or even at the advanced undergraduate level. Familiarity with Hausdorff, metric, compact and locally compact spaces and basic properties of continuous functions, also with groups, rings, fields, vector spaces and modules, and with Zorn''s Lemma, is also expected.

  10. Ring accelerators

    International Nuclear Information System (INIS)

    Gisler, G.; Faehl, R.

    1983-01-01

    We present two-dimensional simulations in (r-z) and r-theta) cylinderical geometries of imploding-liner-driven accelerators of rings of charged particles. We address issues of azimuthal and longitudinal stability of the rings. We discuss self-trapping designs in which beam injection and extraction is aided by means of external cusp fields. Our simulations are done with the 2-1/2-D particle-in-cell plasma simulation code CLINER, which combines collisionless, electromagnetic PIC capabilities with a quasi-MHD finite element package

  11. Ring interferometry

    CERN Document Server

    Malykin, Grigorii B; Zhurov, Alexei

    2013-01-01

    This monograph is devoted to the creation of a comprehensive formalism for quantitative description of polarized modes' linear interaction in modern single-mode optic fibers. The theory of random connections between polarized modes, developed in the monograph, allows calculations of the zero shift deviations for a fiber ring interferometer. The monograph addresses also the

  12. Modeling fuel cell stack systems

    Energy Technology Data Exchange (ETDEWEB)

    Lee, J H [Los Alamos National Lab., Los Alamos, NM (United States); Lalk, T R [Dept. of Mech. Eng., Texas A and M Univ., College Station, TX (United States)

    1998-06-15

    A technique for modeling fuel cell stacks is presented along with the results from an investigation designed to test the validity of the technique. The technique was specifically designed so that models developed using it can be used to determine the fundamental thermal-physical behavior of a fuel cell stack for any operating and design configuration. Such models would be useful tools for investigating fuel cell power system parameters. The modeling technique can be applied to any type of fuel cell stack for which performance data is available for a laboratory scale single cell. Use of the technique is demonstrated by generating sample results for a model of a Proton Exchange Membrane Fuel Cell (PEMFC) stack consisting of 125 cells each with an active area of 150 cm{sup 2}. A PEMFC stack was also used in the verification investigation. This stack consisted of four cells, each with an active area of 50 cm{sup 2}. Results from the verification investigation indicate that models developed using the technique are capable of accurately predicting fuel cell stack performance. (orig.)

  13. Environmental assessment of phosphogypsum stacks

    International Nuclear Information System (INIS)

    Odat, M.; Al-Attar, L.; Raja, G.; Abdul Ghany, B.

    2009-01-01

    Phosphogypsum is one of the most important by-products of phosphate fertilizer industry. It is kept in large stacks to the west of Homs city. Storing Phosphogypsum as open stacks exposed to various environmental effects, wind and rain, may cause pollution of the surrounding ecosystem (soil, plant, water and air). This study was carried out in order to assess the environmental impact of Phosphogypsum stacks on the surrounding ecosystem. The obtained results show that Phosphogypsum stacks did not increase the concentration of radionuclides, i.e. Radon-222 and Radium-226, the external exposed dose of gamma rays, as well as the concentration of heavy metals in the components of the ecosystem, soil, plant, water and air, as their concentrations did not exceed the permissible limits. However, the concentration of fluorine in the upper layer of soil, located to the east of the Phosphogypsum stacks, increased sufficiently, especially in the dry period of the year. Also, the concentration of fluoride in plants growing up near-by the Phosphogypsum stacks was too high, exceeded the permissible levels. This was reflected in poising plants and animals, feeding on the plants. Consequently, increasing the concentration of fluoride in soil and plants is the main impact of Phosphogypsum stacks on the surrounding ecosystem. Minimising this effect could be achieved by establishing a 50 meter wide protection zone surrounding the Phosphogypsum stacks, which has to be planted with non palatable trees, such as pine and cypress, forming wind barriers. Increasing the concentrations of heavy metals and fluoride in infiltrated water around the stacks was high; hence cautions must be taken to prevent its usage in any application or disposal in adjacent rivers and leaks.(author)

  14. Environmental assessment of phosphogypsum stacks

    International Nuclear Information System (INIS)

    Odat, M.; Al-Attar, L.; Raja, G.; Abdul Ghany, B.

    2008-03-01

    Phosphogypsum is one of the most important by-products of phosphate fertilizer industry. It is kept in large stacks to the west of Homs city. Storing Phosphogypsum as open stacks exposed to various environmental effects, wind and rain, may cause pollution of the surrounding ecosystem (soil, plant, water and air). This study was carried out in order to assess the environmental impact of Phosphogypsum stacks on the surrounding ecosystem. The obtained results show that Phosphogypsum stacks did not increase the concentration of radionuclides, i.e. Radon-222 and Radium-226, the external exposed dose of gamma rays, as well as the concentration of heavy metals in the components of the ecosystem, soil, plant, water and air, as their concentrations did not exceed the permissible limits. However, the concentration of fluorine in the upper layer of soil, located to the east of the Phosphogypsum stacks, increased sufficiently, especially in the dry period of the year. Also, the concentration of fluoride in plants growing up near-by the Phosphogypsum stacks was too high, exceeded the permissible levels. This was reflected in poising plants and animals, feeding on the plants. Consequently, increasing the concentration of fluoride in soil and plants is the main impact of Phosphogypsum stacks on the surrounding ecosystem. Minimising this effect could be achieved by establishing a 50 meter wide protection zone surrounding the Phosphogypsum stacks, which has to be planted with non palatable trees, such as pine and cypress, forming wind barriers. Increasing the concentrations of heavy metals and fluoride in infiltrated water around the stacks was high; hence cautions must be taken to prevent its usage in any application or disposal in adjacent rivers and leaks.(author)

  15. High performance liquid chromatographic separation of polycyclic aromatic hydrocarbons on microparticulate pyrrolidone and application to the analysis of shale oil

    International Nuclear Information System (INIS)

    Mourey, T.H.; Siggia, S.; Uden, P.C.; Crowley, R.J.

    1980-01-01

    A chemically bonded pyrrolidone substrate is used for the high performance liquid chromatographic separation of polycyclic aromatic hydrocarbons. The cyclic amide phase interacts electronically with the polycyclic aromatic hydrocarbons in both the normal and reversed phase modes. Separation is effected according to the number of aromatic rings and the type of ring condensation. Information obtained is very different from that observed on hydrocarbon substrates, and thus these phases can be used in a complementary fashion to give a profile of polycyclic aromatics in shale oil samples. 7 figures, 1 table

  16. Microbial degradation of polycyclic aromatic hydrocarbons (PAHs). Pt. 1

    International Nuclear Information System (INIS)

    Eichler, B.; Bryniok, D.; Vorbeck, C.; Lutz, M.; Ackermann, B.; Freier-Schroeder, D.; Knackmuss, H.J.

    1992-01-01

    Productive degradation of the higher molecular PAHs benz(a)anthracene (four rings), benzo(a)pyrene and benzo(k)fluoranthene (five rings) through pure bacterial cultures is demonstrated in this paper for the first time. Consequently, a degradation potential for lower and higher molecular polycyclic aromatics up to five rings exists both in the ground of the fromer coking site and in the ground of the former gas works of Stuttgart. Further samples from contaminated soils, coking waste water and sediments showed similar results. This suggests that the bacterial flora present in the soil itself can be successfully used to clean up contaminated ground. (orig.) [de

  17. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier mobility in thin film transistor devices and mobilities up to 0.2 cm2/Vs were achieved. The optoelectronic properties of these fused aromatic thienopyrazine polymers (Eg = 1.3 to 1.6 eV, HOMO = -4.9 to -5.2 V) were tuned by introduction of various fused aromatic rings within thienopyrazine. By balancing the fundamental properties of these polymers, both high charge carrier mobilities and moderate PCEs in solar cells were achieved. Further, effects of copolymerizing units are discussed. Low band gap semiconducting polymer (Eg ∼ 1 eV) with high field effect mobility (0.044 cm2/Vs) was obtained using cyclopentadithiophene as copolymerizing unit. Finally, a molecular design approach to enhance the absorption coefficients is discussed, which resulted in improved power conversion efficiency in bulk heterojunction solar cells. © 2010 The Royal Society of Chemistry.

  18. Deuteration of benzen derivatives and condensed aromatics

    International Nuclear Information System (INIS)

    Ichikawa, Masaru.

    1970-01-01

    A process for the deuteration of aromatic compounds (benzene derivatives having one or more cyano, halogeno, nitro or other electron attractive groups, and condensed ring aromatics) is provided. The process comprises reducing said aromatic compound with an alkali metal (preferably K, Rb or Cs) in a solvent (dimethoxyethane, tetrahydrofuran, etc.) to provide an electron-acceptor-donor complex, which is followed by introducing gaseous deuterium into the solution. The deuteration takes place selectively at the position of highest electron density in accordance with nature of the substituent, regardless of steric hindrance. The process is applicable to a wide variety of aromatics to give deuterated compounds in high yields. In one example, 5x10 -3 mole of anthracene (An) was reacted with 2g of metallic potassium in 80cc of dimethoxyethane in a N 2 atmosphere. Into the resulting solution of An=2K + was introduced D 2 gas (30 cmHg) at 25 0 C. After decomposition with air and washing with alcohol, the precipitate was recrystallized from benzene. Yield of recovered AN: more than 90%. Yield of deuteration: 100%. Position of deuteration: 9 and 10 (revealed by NMR and mass spectroscopy). (Kaichi, S.)

  19. Aromatics saturation, opening and cleavage technology for middle distillates

    Energy Technology Data Exchange (ETDEWEB)

    Oballa, M.C.; Simanzhenkov, V.; Kim, G. [NOVA Chemicals Corp., Calgary, AB (Canada)

    2009-07-01

    In order to address environmental concerns, there is a need to develop technologies to reformulate or adjust the quality of transportation fuels. The purpose is to reduce the concentration of the compounds which negatively affect the air that people breathe. One of those targeted is the aromatics content of diesel, because high aromatics content results in low cetane number of diesel, as well as higher emission of particulate matter. Less conventional sources of hydrocarbon feedstock such as oil from oil sands and/or shale oil are being exploited in Alberta. These feeds contain multiple fused aromatic ring compounds. NOVA Chemicals would like to use these potentially abundant liquids as feed, but they must first be transformed into a more user friendly state. This paper discussed the development of a process technology that could saturate the aromatic rings, open up the saturated rings and cleave them to get smaller paraffinic molecules. The products then comprised of lower paraffins are suitable as feed to steam crackers for the production of ethylene and propylene, higher paraffins suitable for blending into gasoline and mono aromatic ring compounds which may be further treated through alkylation of benzene to ethylbenzene and dealkylation to styrene. The paper discussed the process steps and highlighted the catalysts. Research results were also shown. It was concluded that the critical technology gaps, as well as solutions, which would enable overcoming the challenges related to handling of aromatic bitumen feedstock, entail the development of two different catalysts, which are on two different technology platforms. 7 refs., 3 tabs., 5 figs.

  20. Simulations Of Transverse Stacking In The NSLS-II Booster

    International Nuclear Information System (INIS)

    Fliller, R. III; Shaftan, T.

    2011-01-01

    The NSLS-II injection system consists of a 200 MeV linac and a 3 GeV booster. The linac needs to deliver 15 nC in 80 - 150 bunches to the booster every minute to achieve current stability goals in the storage ring. This is a very stringent requirement that has not been demonstrated at an operating light source. We have developed a scheme to transversely stack two bunch trains in the NSLS-II booster in order to alleviate the charge requirements on the linac. This scheme has been outlined previously. In this paper we show particle tracking simulations of the tracking scheme. We show simulations of the booster ramp with a stacked beam for a variety of lattice errors and injected beam parameters. In all cases the performance of the proposed stacking method is sufficient to reduce the required charge from the linac. For this reason the injection system of the NSLS-II booster is being designed to include this feature. The NSLS-II injection system consists of a 200 MeV linac and a 3 GeV booster. The injectors must provide 7.5nC in bunch trains 80-150 bunches long every minute for top off operation of the storage ring. Top off then requires that the linac deliver 15nC of charge once losses in the injector chain are taken into consideration. This is a very stringent requirement that has not been demonstrated at an operating light source. For this reason we have developed a method to transversely stack two bunch trains in the booster while maintaining the charge transport efficiency. This stacking scheme has been discussed previously. In this paper we show the simulations of the booster ramp with a single bunch train in the booster. Then we give a brief overview of the stacking scheme. Following, we show the results of stacking two bunch trains in the booster with varying beam emittances and train separations. The behavior of the beam through the ramp is examined showing that it is possible to stack two bunch trains in the booster.

  1. Low energy current accumulator for high-energy proton rings

    International Nuclear Information System (INIS)

    Month, M.

    1977-01-01

    Building current in high-energy p-p colliding beam machines is most appropriately done in a low-energy (small circumference) current accumulator. Three significant factors favor such a procedure: First, large rings tend to be susceptible to unstable longitudinal density oscillations. These can be avoided by pumping up the beam in the accumulator. When the current stack is injected into the storage ring, potentially harmful instability is essentially neutralized. Second, high-field magnets characteristic of future high energy proton rings are designed with superconducting coils within the iron magnetic shield. This means coil construction and placement errors propagate rapidly within the beam aperture. An intermediate ''stacking ring'' allows the minimum use of the superconducting ring aperture. Finally, the coils are vulnerable to radiation heating and possible magnet quenching. By minimizing beam manipulaion in the superconducting environment and using only the central portion of the beam aperture, coil vulnerability can be put at a minimum

  2. Radiation chemistry of aromatic dimer radical cations

    International Nuclear Information System (INIS)

    Okamoto, Kazumasa; Tagawa, Seiichi

    2009-01-01

    π-π Interactions of aromatic molecules are paid attention much in many fields, especially biology, chemistry, and applied physics, represented as protein, DNA, electron donor-accepter complexes, charge transfers, and self assembly molecules. Aromatic molecules including benzene rings are the simplest case to study the π-π interactions. To interpret the charge resonance (CR) structure in the dimer radical cations, spectroscopic and ESR methods have been carried out. The spectroscopic study on the dimer radical ion of molecules with two chromophores would be profitable to identify the electronic and configurational properties. In this article, dynamics of the dimer radical cation of benzenes, polystyrenes, and resist polymers is described on the basis of direct observation of CR band by the nanosecond pulse radiolysis and low temperature γ-radiolysis methods. (author)

  3. Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?--testing the model against charged systems in singlet and triplet states.

    Science.gov (United States)

    Dominikowska, Justyna; Palusiak, Marcin

    2011-07-07

    The concept of Clar's π-electron aromatic sextet was tested against a set of polycyclic aromatic hydrocarbons in neutral and doubly charged forms. Systems containing different types of rings (in the context of Clar's concept) were chosen, including benzene, naphthalene, anthracene, phenanthrene and triphenylene. In the case of dicationic structures both singlet and triplet states were considered. It was found that for singlet state dicationic structures the concept of aromatic sextet could be applied and the local aromaticity could be discussed in the context of that model, whereas in the case of triplet state dicationic structures Clar's model rather failed. Different aromaticity indices based on various properties of molecular systems were applied for the purpose of the studies. The discussion about the interdependence between the values of different aromaticity indices applied to neutral and charged systems in singlet and triplet states is also included. This journal is © the Owner Societies 2011

  4. Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

    Science.gov (United States)

    Jiménez-Halla, J Oscar C; Matito, Eduard; Blancafort, Lluís; Robles, Juvencio; Solà, Miquel

    2009-12-01

    In this work, we analyze the geometry and electronic structure of the [X(n)M(3)](n-2) species (M = Be, Mg, and Ca; X = Li, Na, and K; n = 0, 1, and 2), with special emphasis on the electron delocalization properties and aromaticity of the cyclo-[M(3)](2-) unit. The cyclo-[M(3)](2-) ring is held together through a three-center two-electron bond of sigma-character. Interestingly, the interaction of these small clusters with alkali metals stabilizes the cyclo-[M(3)](2-) ring and leads to a change from sigma-aromaticity in the bound state of the cyclo-[M(3)](2-) to pi-aromaticity in the XM(3) (-) and X(2)M(3) metallic clusters. Our results also show that the aromaticity of the cyclo-[M(3)](2-) unit in the X(2)M(3) metallic clusters depends on the nature of X and M. Moreover, we explored the possibility for tuning the aromaticity by simply moving X perpendicularly to the center of the M(3) ring. The Na(2)Mg(3), Li(2)Mg(3), and X(2)Ca(3) clusters undergo drastic aromaticity alterations when changing the distance from X to the center of the M(3) ring, whereas X(2)Be(3) and K(2)Mg(3) keep its aromaticity relatively constant along this process. (c) 2009 Wiley Periodicals, Inc.

  5. Influence of trace aromatics on the chemical growth mechanisms of Titan aerosol analogues

    Science.gov (United States)

    Gautier, Thomas; Sebree, Joshua A.; Li, Xiang; Pinnick, Veronica T.; Grubisic, Andrej; Loeffler, Mark J.; Getty, Stephanie A.; Trainer, Melissa G.; Brinckerhoff, William B.

    2017-06-01

    The chemical structure and formation pathways of Titan aerosols remain largely unknown. In this work, we studied the effect of trace aromatics on the chemical composition and formation pathways of laboratory analogues of Titan's organic aerosols. The aerosol analogues were produced using four different trace aromatic molecules, comprised of one or two aromatic rings, each with or without a nitrogen heteroatom. Samples were then analyzed by laser desorption/ionization Mass Spectrometry (LDMS), revealing a high variability in the sample composition depending on the trace aromatic used. Our work reveals that the final chemical structure of the aerosols depends strongly on the number of aromatic rings in the trace molecule, leading either to a polymeric or to a random co-polymeric growth of the sample. These different chemical structures can affect the physical properties of the aerosol. Future analysis of Titan's aerosols using better resolution could potentially determine whether either of the growth hypotheses are preferred.

  6. Slip-stacking Dynamics for High-Power Proton Beams at Fermilab

    Energy Technology Data Exchange (ETDEWEB)

    Eldred, Jeffrey Scott [Indiana Univ., Bloomington, IN (United States)

    2015-12-01

    Slip-stacking is a particle accelerator configuration used to store two particle beams with different momenta in the same ring. The two beams are longitudinally focused by two radiofrequency (RF) cavities with a small frequency difference between them. Each beam is synchronized to one RF cavity and perturbed by the other RF cavity. Fermilab uses slip-stacking in the Recycler so as to double the power of the 120 GeV proton beam in the Main Injector. This dissertation investigates the dynamics of slip-stacking beams analytically, numerically and experimentally. In the analytic analysis, I find the general trajectory of stable slip-stacking particles and identify the slip-stacking parametric resonances. In the numerical analysis, I characterize the stable phase-space area and model the particle losses. In particular, I evaluate the impact of upgrading the Fermilab Booster cycle-rate from 15 Hz to 20 Hz as part of the Proton Improvement Plan II (PIP-II). The experimental analysis is used to verify my approach to simulating slip-stacking loss. I design a study for measuring losses from the longitudinal single-particle dynamics of slip-stacking as a function of RF cavity voltage and RF frequency separation. I further propose the installation of a harmonic RF cavity and study the dynamics of this novel slip-stacking configuration. I show the harmonic RF cavity cancels out parametric resonances in slip-stacking, reduces emittance growth during slip-stacking, and dramatically enhances the stable phase-space area. The harmonic cavity is expected to reduce slip-stacking losses to far exceed PIP-II requirements. These results raise the possibility of extending slip-stacking beyond the PIP-II era.

  7. Extended O-Doped Polycyclic Aromatic Hydrocarbons.

    Science.gov (United States)

    Stassen, Daphné; Demitri, Nicola; Bonifazi, Davide

    2016-05-10

    The synthesis of O-doped benzorylenes, in which peripheral carbon atoms have been replaced by oxygen atoms, has been achieved for the first time. This includes key high-yielding ring-closure steps which, through intramolecular C-O bond formation, allow stepwise planarization of oligonaphthalenes. Single-crystal X-ray diffraction showed that the tetraoxa derivative forms remarkable face-to-face π-π stacks in the solid state, a favorable solid-state arrangement for organic electronics. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Analysis of stacking overlap in nucleic acid structures: algorithm and application.

    Science.gov (United States)

    Pingali, Pavan Kumar; Halder, Sukanya; Mukherjee, Debasish; Basu, Sankar; Banerjee, Rahul; Choudhury, Devapriya; Bhattacharyya, Dhananjay

    2014-08-01

    RNA contains different secondary structural motifs like pseudo-helices, hairpin loops, internal loops, etc. in addition to anti-parallel double helices and random coils. The secondary structures are mainly stabilized by base-pairing and stacking interactions between the planar aromatic bases. The hydrogen bonding strength and geometries of base pairs are characterized by six intra-base pair parameters. Similarly, stacking can be represented by six local doublet parameters. These dinucleotide step parameters can describe the quality of stacking between Watson-Crick base pairs very effectively. However, it is quite difficult to understand the stacking pattern for dinucleotides consisting of non canonical base pairs from these parameters. Stacking interaction is a manifestation of the interaction between two aromatic bases or base pairs and thus can be estimated best by the overlap area between the planar aromatic moieties. We have calculated base pair overlap between two consecutive base pairs as the buried van der Waals surface between them. In general, overlap values show normal distribution for the Watson-Crick base pairs in most double helices within a range from 45 to 50 Å(2) irrespective of base sequence. The dinucleotide steps with non-canonical base pairs also are seen to have high overlap value, although their twist and few other parameters are rather unusual. We have analyzed hairpin loops of different length, bulges within double helical structures and pseudo-continuous helices using our algorithm. The overlap area analyses indicate good stacking between few looped out bases especially in GNRA tetraloop, which was difficult to quantitatively characterise from analysis of the base pair or dinucleotide step parameters. This parameter is also seen to be capable to distinguish pseudo-continuous helices from kinked helix junctions.

  9. Glassy carbon based supercapacitor stacks

    Energy Technology Data Exchange (ETDEWEB)

    Baertsch, M; Braun, A; Koetz, R; Haas, O [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Considerable effort is being made to develop electrochemical double layer capacitors (EDLC) that store relatively large quantities of electrical energy and possess at the same time a high power density. Our previous work has shown that glassy carbon is suitable as a material for capacitor electrodes concerning low resistance and high capacity requirements. We present the development of bipolar electrochemical glassy carbon capacitor stacks of up to 3 V. Bipolar stacks are an efficient way to meet the high voltage and high power density requirements for traction applications. Impedance and cyclic voltammogram measurements are reported here and show the frequency response of a 1, 2, and 3 V stack. (author) 3 figs., 1 ref..

  10. Time-predictable Stack Caching

    DEFF Research Database (Denmark)

    Abbaspourseyedi, Sahar

    completely. Thus, in systems with hard deadlines the worst-case execution time (WCET) of the real-time software running on them needs to be bounded. Modern architectures use features such as pipelining and caches for improving the average performance. These features, however, make the WCET analysis more...... addresses, provides an opportunity to predict and tighten the WCET of accesses to data in caches. In this thesis, we introduce the time-predictable stack cache design and implementation within a time-predictable processor. We introduce several optimizations to our design for tightening the WCET while...... keeping the timepredictability of the design intact. Moreover, we provide a solution for reducing the cost of context switching in a system using the stack cache. In design of these caches, we use custom hardware and compiler support for delivering time-predictable stack data accesses. Furthermore...

  11. Aromatic products from reaction of lignin model compounds with UV-alkaline peroxide

    International Nuclear Information System (INIS)

    Sun, Y.P.; Wallis, A.F.A.; Nguyen, K.L.

    1997-01-01

    A series of guaiacyl and syringyl lignin model compounds and their methylated analogues were reacted with alkaline hydrogen peroxide while irradiating with UV light at 254 nm. The aromatic products obtained were investigated by gas chromatography-mass spectrometry (GC-MS). Guaiacol, syringol and veratrol gave no detectable aromatic products. However, syringol methyl ether gave small amounts of aromatic products, resulting from ring substitution and methoxyl displacement by hydroxyl radicals. Reaction of vanillin and syringaldehyde gave the Dakin reaction products, methoxy-1,4-hydroquinones, while reaction of their methyl ethers yielded benzoic acids. Acetoguaiacone, acetosyringone and their methyl ethers afforded several hydroxylated aromatic products, but no aromatic products were identified in the reaction mixtures from guaiacylpropane and syringylpropane. In contrast, veratrylpropane gave a mixture from which 17 aromatic hydroxylated compounds were identified. It is concluded that for phenolic lignin model compounds, particularly those possessing electrondonating aromatic ring substituents, ring-cleavage reactions involving superoxide radical anions are dominant, whereas for non-phenolic lignin models, hydroxylation reactions through attack of hydroxyl radicals prevail

  12. Optical necklaces generated by the diffraction on a stack of dielectric wedges

    Energy Technology Data Exchange (ETDEWEB)

    Izdebskaya, Yana [Nonlinear Physics Centre, Research School of Physical Sciences and Engineering, Australian National University, Canberra ACT 0200 (Australia); Department of Physics, V.I. Vernandsky Taurida National University, Simferopol 95007, Crimea (Ukraine)], E-mail: yvi124@rsphysse.anu.edu.au

    2008-05-19

    We demonstrate that the regular ring-shaped arrays of Gaussian beams, or optical necklaces, can be generated using diffraction on a stack of dielectric wedges. A condition for self-similarity and structural stability of the beams has been derived and shows good comparison with experimental data.

  13. Stack semantics of type theory

    DEFF Research Database (Denmark)

    Coquand, Thierry; Mannaa, Bassel; Ruch, Fabian

    2017-01-01

    We give a model of dependent type theory with one univalent universe and propositional truncation interpreting a type as a stack, generalizing the groupoid model of type theory. As an application, we show that countable choice cannot be proved in dependent type theory with one univalent universe...

  14. Multilayer Piezoelectric Stack Actuator Characterization

    Science.gov (United States)

    Sherrit, Stewart; Jones, Christopher M.; Aldrich, Jack B.; Blodget, Chad; Bao, Xioaqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to use actuators for precision positioning to accuracies of the order of fractions of a nanometer. For this purpose, multilayer piezoelectric stacks are being considered as actuators for driving these precision mechanisms. In this study, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and extreme temperatures and voltages. AC signal testing included impedance, capacitance and dielectric loss factor of each actuator as a function of the small-signal driving sinusoidal frequency, and the ambient temperature. DC signal testing includes leakage current and displacement as a function of the applied DC voltage. The applied DC voltage was increased to over eight times the manufacturers' specifications to investigate the correlation between leakage current and breakdown voltage. Resonance characterization as a function of temperature was done over a temperature range of -180C to +200C which generally exceeded the manufacturers' specifications. In order to study the lifetime performance of these stacks, five actuators from one manufacturer were driven by a 60volt, 2 kHz sine-wave for ten billion cycles. The tests were performed using a Lab-View controlled automated data acquisition system that monitored the waveform of the stack electrical current and voltage. The measurements included the displacement, impedance, capacitance and leakage current and the analysis of the experimental results will be presented.

  15. V-stack piezoelectric actuator

    Science.gov (United States)

    Ardelean, Emil V.; Clark, Robert L.

    2001-07-01

    Aeroelastic control of wings by means of a distributed, trailing-edge control surface is of interest with regards to maneuvers, gust alleviation, and flutter suppression. The use of high energy density, piezoelectric materials as motors provides an appealing solution to this problem. A comparative analysis of the state of the art actuators is currently being conducted. A new piezoelectric actuator design is presented. This actuator meets the requirements for trailing edge flap actuation in both stroke and force. It is compact, simple, sturdy, and leverages stroke geometrically with minimum force penalties while displaying linearity over a wide range of stroke. The V-Stack Piezoelectric Actuator, consists of a base, a lever, two piezoelectric stacks, and a pre-tensioning element. The work is performed alternately by the two stacks, placed on both sides of the lever. Pre-tensioning can be readily applied using a torque wrench, obviating the need for elastic elements and this is for the benefit of the stiffness of the actuator. The characteristics of the actuator are easily modified by changing the base or the stacks. A prototype was constructed and tested experimentally to validate the theoretical model.

  16. Open stack thermal battery tests

    Energy Technology Data Exchange (ETDEWEB)

    Long, Kevin N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Roberts, Christine C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grillet, Anne M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Headley, Alexander J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Fenton, Kyle [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wong, Dennis [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ingersoll, David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-04-17

    We present selected results from a series of Open Stack thermal battery tests performed in FY14 and FY15 and discuss our findings. These tests were meant to provide validation data for the comprehensive thermal battery simulation tools currently under development in Sierra/Aria under known conditions compared with as-manufactured batteries. We are able to satisfy this original objective in the present study for some test conditions. Measurements from each test include: nominal stack pressure (axial stress) vs. time in the cold state and during battery ignition, battery voltage vs. time against a prescribed current draw with periodic pulses, and images transverse to the battery axis from which cell displacements are computed. Six battery configurations were evaluated: 3, 5, and 10 cell stacks sandwiched between 4 layers of the materials used for axial thermal insulation, either Fiberfrax Board or MinK. In addition to the results from 3, 5, and 10 cell stacks with either in-line Fiberfrax Board or MinK insulation, a series of cell-free “control” tests were performed that show the inherent settling and stress relaxation based on the interaction between the insulation and heat pellets alone.

  17. Adding large EM stack support

    KAUST Repository

    Holst, Glendon

    2016-12-01

    Serial section electron microscopy (SSEM) image stacks generated using high throughput microscopy techniques are an integral tool for investigating brain connectivity and cell morphology. FIB or 3View scanning electron microscopes easily generate gigabytes of data. In order to produce analyzable 3D dataset from the imaged volumes, efficient and reliable image segmentation is crucial. Classical manual approaches to segmentation are time consuming and labour intensive. Semiautomatic seeded watershed segmentation algorithms, such as those implemented by ilastik image processing software, are a very powerful alternative, substantially speeding up segmentation times. We have used ilastik effectively for small EM stacks – on a laptop, no less; however, ilastik was unable to carve the large EM stacks we needed to segment because its memory requirements grew too large – even for the biggest workstations we had available. For this reason, we refactored the carving module of ilastik to scale it up to large EM stacks on large workstations, and tested its efficiency. We modified the carving module, building on existing blockwise processing functionality to process data in manageable chunks that can fit within RAM (main memory). We review this refactoring work, highlighting the software architecture, design choices, modifications, and issues encountered.

  18. Examination of new chiral smectics with four aromatic rings

    Science.gov (United States)

    Żurowska, Magdalena; Czerwiński, Michał; Dziaduszek, Jerzy; Filipowicz, Marek

    2018-05-01

    This paper presents the results of the study of four chiral mesogens with the acronym (4X1X2). The investigated compounds might be of interest for use as components of multicomponent mixtures useful in technical devices. The compounds have high chemical stability. Their mesomorphic properties were tested by means of polarizing optical microscopy and differential scanning calorimetry. The helical pitch of the prepared compounds and mixtures was estimated using the selective reflection method. Their phase smectic layer structure and usefulness for formulation of multicomponent antiferroelectric mixtures were then reported.

  19. Limitations on anti p-p luminosity with direct injection and stacking of antiprotons

    International Nuclear Information System (INIS)

    Courant, E.D.; Teng, L.C.

    1979-01-01

    If protons of very high energy impinge on a target, a large part of the resulting antiprotons are sufficiently collimated to be injectible into a stacking and accelerating ring. They can then be stacked and injected into the main proton accelerator so as to produce anti p-p collisions without low energy antiproton cooling. A scheme is presented for the VBA, where 20 TeV protons produce 9 x 10 -4 antiprotons per proton at 100 GeV, which are then stacked, accelerated to 1 TeV, and injected into the main ring. With 16 proton pulses of 10 15 protons, one obtains a luminosity of the order of 10 32 cm -2 sec -1 with a beam-beam tune shift of 10 -3 per interaction region. The beams are bunched into 1000 bunches; the orbits are separated by means of relatively modest electostatic electrodes

  20. The Effect of n vs. iso Isomerization on the Thermophysical Properties of Aromatic and Non-aromatic Ionic Liquids.

    Science.gov (United States)

    Rodrigues, Ana S M C; Almeida, Hugo F D; Freire, Mara G; Lopes-da-Silva, José A; Coutinho, João A P; Santos, Luís M N B F

    2016-09-15

    This work explores the n vs. iso isomerization effects on the physicochemical properties of different families of ionic liquids (ILs) with variable aromaticity and ring size. This study comprises the experimental measurements, in a wide temperature range, of the ILs' thermal behavior, heat capacities, densities, refractive indices, surface tensions, and viscosities. The results here reported show that the presence of the iso -alkyl group leads to an increase of the temperature of the glass transition, T g . The iso- pyrrolidinium (5 atoms ring cation core) and iso -piperidinium (6 atoms ring cation core) ILs present a strong differentiation in the enthalpy and entropy of melting. Non-aromatic ILs have higher molar heat capacities due to the increase of the atomic contribution, whereas it was not found any significant differentiation between the n and iso -alkyl isomers. A small increase of the surface tension was observed for the non-aromatic ILs, which could be related to their higher cohesive energy of the bulk, while the lower surface entropy observed for the iso isomers indicates a structural resemblance between the IL bulk and surface. The significant differentiation between ILs with a 5 and 6 atoms ring cation in the n -alkyl series (where 5 atoms ring cations have higher surface entropy) is an indication of a more efficient arrangement of the non-polar region at the surface in ILs with smaller cation cores. The ILs constituted by non-aromatic piperidinium cation, and iso -alkyl isomers were found to be the most viscous among the studied ILs due to their higher energy barriers for shear stress.

  1. Bio-Based Aromatic Epoxy Monomers for Thermoset Materials

    Directory of Open Access Journals (Sweden)

    Feifei Ng

    2017-01-01

    Full Text Available The synthesis of polymers from renewable resources is a burning issue that is actively investigated. Polyepoxide networks constitute a major class of thermosetting polymers and are extensively used as coatings, electronic materials, adhesives. Owing to their outstanding mechanical and electrical properties, chemical resistance, adhesion, and minimal shrinkage after curing, they are used in structural applications as well. Most of these thermosets are industrially manufactured from bisphenol A (BPA, a substance that was initially synthesized as a chemical estrogen. The awareness on BPA toxicity combined with the limited availability and volatile cost of fossil resources and the non-recyclability of thermosets implies necessary changes in the field of epoxy networks. Thus, substitution of BPA has witnessed an increasing number of studies both from the academic and industrial sides. This review proposes to give an overview of the reported aromatic multifunctional epoxide building blocks synthesized from biomass or from molecules that could be obtained from transformed biomass. After a reminder of the main glycidylation routes and mechanisms and the recent knowledge on BPA toxicity and legal issues, this review will provide a brief description of the main natural sources of aromatic molecules. The different epoxy prepolymers will then be organized from simple, mono-aromatic di-epoxy, to mono-aromatic poly-epoxy, to di-aromatic di-epoxy compounds, and finally to derivatives possessing numerous aromatic rings and epoxy groups.

  2. The formation of aromatics and PAH's in laminar flames

    International Nuclear Information System (INIS)

    Marinov, N M; Pitz, W J; Westbrook, C K

    1999-01-01

    The formation of aromatics and PAH's is an important problem in combustion. These compounds are believed to contribute to the formation of soot whose emission from diesel engines is regulated widely throughout the industrial world. Additionally, the United States Environmental Protection Agency regulates the emission of many aromatics and PAH species from stationary industrial burners, under the 1990 Clean Air Act Amendments. The above emission regulations have created much interest in understanding how these species are formed in combustion systems. Much previous work has been done on aromatics and PAH's. The work is too extensive to review here, but is reviewed in Reference 1. A few recent developments are highlighted here. McEnally, Pfefferle and coworkers have studied aromatic, PAH and soot formation in a variety of non-premixed flames with hydrocarbon additives[2-4]. They found additives that contain a C5 ring increase the concentration of aromatics and soot[4]. Howard and coworkers have studied the formation of aromatic and PAH's in low pressure, premixed, laminar hydrocarbon flames. They found the cyclopentadienyl radical to be a key species in naphthalene formation in a fuel-rich, benzene/Ar/O2 flame[5

  3. Aromatization of n-octane over Pd/C catalysts

    KAUST Repository

    Yin, Mengchen; Natelson, Robert H.; Campos, Andrew A.; Kolar, Praveen; Roberts, William L.

    2013-01-01

    Gas-phase aromatization of n-octane was investigated using Pd/C catalyst. The objectives were to: (1) determine the effects of temperature (400-600 °C), weight hourly space velocity (WHSV) (0.8-∞), and hydrogen to hydrocarbon molar ratio (MR) (0-6) on conversion, selectivity, and yield (2) compare the activity of Pd/C with Pt/C and Pt/KL catalysts and (3) test the suitability of Pd/C for aromatization of different alkanes including n-hexane, n-heptane, and n-octane. Pd/C exhibited the best aromatization performance, including 54.4% conversion and 31.5% aromatics yield at 500 °C, WHSV = 2 h-1, and a MR of 2. The Pd/C catalyst had higher selectivity towards the preferred aromatics including ethylbenzene and xylenes, whereas Pt/KL had higher selectivity towards benzene and toluene. The results were somewhat consistent with adsorbed n-octane cyclization proceeding mainly through the six-membered ring closure mechanism. In addition, Pd/C was also capable of catalyzing aromatization of n-hexane and n-heptane. © 2012 Elsevier Ltd. All rights reserved.

  4. Beam-plasma interaction in a synchrotron-cooler ring

    International Nuclear Information System (INIS)

    Itahashi, T.

    1989-01-01

    We propose a plasma target installed in the synchrotron-cooler ring in order to study the beam-plasma interaction. Various types of beam diagnostic devices and precise techniques developed for stochastic cooling and rf-stacking in the storage ring would be a powerful tool to approach the problems concerning the plasma behavior induced by the beam, such as plasma lens effect, anomalous stopping power and plasma instability. (author)

  5. Annex I.G. Demolition of the G1 stack at Marcoule by toppling

    International Nuclear Information System (INIS)

    2005-01-01

    The G1 stack at Marcoule was constructed during the first half of 1956 as a ventilation outlet for the G1 reactor, which is cooled by air. After the G1 reactor was decommissioned, the G1 stack served as a ventilation outlet for two new nuclear facilities on the site. Being no longer in compliance with regulations and having many inadequacies and uncertainties in terms of the prestressed concrete, the stack posed a potential damage risk in extreme wind or in the event of an earthquake. In 1994 it was decided that a new stack would be built to act as an outlet for the existing nuclear facilities, and that the old one would be demolished. The G1 stack was 100 m in height, 10 m in diameter and constructed with 24 vertically stacked concrete rings consisting of nine prefabricated sections, each 3.6 m in height. It was capped by a metal deflector (about 6 m in height and weighing 50 t). The inside consisted of nine semicircular tubes constructed of steel sheet metal weighing 120 t. The base of the stack consisted of the foundation, a plate and a base plate which were constructed at the site. The barrel sections were prefabricated. Construction lasted from January 1956 to June 1956. At the base, the cylindrical portion of the stack widened to form three feet extending to a depth of 7.5 m. The base plate of the stack was formed onsite to the height of 16.7 m and then prestressed using cables. A repair carried out in 1964 included adding a concrete lining of the initial rings of the cylinder up to a level of 22.1 m. Additional prestressing with the base plate and repair of the horizontal and vertical prestressing of the barrel were also carried out, leaving only 22 rings and 43 visible cables. The total mass of the stack was 2170 t, including: - Concrete: cylinder 800 t, base plate 1200 t; - Steel: internal structures 120 t, deflector 50 t. The main radiological risk was the presence of traces of tritium. The radioactive inventory for the entire stack was estimated in 2000

  6. Kayser-Fleischer Rings

    Science.gov (United States)

    ... Support Contacts Lab Tracker/Copper Calculator Stories Programs & Research ... About Everything you need to know about Wilson Disease Kayser-Fleischer Rings Definition Kayser-Fleischer Ring: Clinical sign. Brownish-yellow ring visible around the corneo- ...

  7. Vertical melting of a stack of membranes

    Science.gov (United States)

    Borelli, M. E. S.; Kleinert, H.; Schakel, A. M. J.

    2001-02-01

    A stack of tensionless membranes with nonlinear curvature energy and vertical harmonic interaction is studied. At low temperatures, the system forms a lamellar phase. At a critical temperature, the stack disorders vertically in a melting-like transition.

  8. ASSOCIATIVE RINGS SOLVED AS LIE RINGS

    Directory of Open Access Journals (Sweden)

    M. B. Smirnov

    2011-01-01

    Full Text Available The paper has proved that an associative ring which is solvable of a n- class as a Lie ring has a nilpotent ideal of the nilpotent class not more than 3×10n–2  and a corresponding quotient ring satisfies an identity [[x1, x2, [x3, x4

  9. Intra-molecular selectivity of muonium towards chlorinated aromatic compounds

    International Nuclear Information System (INIS)

    Venkateswaran, K.; Stadlbauer, J.M.; Laing, M.E.; Klugkist, J.; Chong, D.P.; Porter, G.B.; Walker, D.C.

    1994-01-01

    Muon resonance studies show that muonium atoms (Mu) in ethanol add selectively to certain C-sites of aromatic compounds containing -Cl and -OH substituents. The sites chosen seem to be those carrying the lowest electron density. This helps to characterize Mu as a nucleophile in addition reactions and, in this respect, Mu differs from ordinary H-atoms. The study shows no apparent inter-molecular selectivity between a pair of aromatic solutes in an equimolar mixture, but strong intra-molecular selectivity in an ether composed of those two aromatic rings. This difference between intra- and inter-molecular selectivity is interpreted as kinetic in origin - arising from the 'caging effect' of the solvent and peculiar to reactions close to the diffusion-controlled limit. (orig.)

  10. The AHA Moment: Assessment of the Redox Stability of Ionic Liquids Based on Aromatic Heterocyclic Anions (AHAs) for Nuclear Separations and Electric Energy Storage.

    Science.gov (United States)

    Shkrob, Ilya A; Marin, Timothy W

    2015-11-19

    Because of their extended conjugated bond network, aromatic compounds generally have higher redox stability than less saturated compounds. We conjectured that ionic liquids (ILs) consisting of aromatic heterocyclic anions (AHAs) may exhibit improved radiation and electrochemical stability. Such properties are important in applications of these ILs as diluents in radionuclide separations and electrolytes in the electric energy storage devices. In this study, we systematically examine the redox chemistry of the AHAs. Three classes of these anions have been studied: (i) simple 5-atom ring AHAs, such as the pyrazolide and triazolides, (ii) AHAs containing an adjacent benzene ring, and (iii) AHAs containing electron-withdrawing groups that were introduced to reduce their basicity and interaction with metal ions. It is shown that fragmentation in the reduced and oxidized states of these AHAs does not generally occur, and the two main products, respectively, are the H atom adduct and the imidyl radical. The latter species occurs either as an N σ-radical or as an N π-radical, depending on the length of the N-N bond, and the state that is stabilized in the solid matrix is frequently different from that having the lowest energy in the gas phase. In some instances, the formation of the sandwich π-stack dimer radical anions has been observed. For trifluoromethylated anions, H adduct formation did not occur; instead, there was facile loss of fluoride from their fluorinated groups. The latter can be problematic in nuclear separations, but beneficial in batteries. Overall, our study suggests that AHA-based ILs are viable candidates for use as radiation-exposed diluents and electrolytes.

  11. Helping Students Design HyperCard Stacks.

    Science.gov (United States)

    Dunham, Ken

    1995-01-01

    Discusses how to teach students to design HyperCard stacks. Highlights include introducing HyperCard, developing storyboards, introducing design concepts and scripts, presenting stacks, evaluating storyboards, and continuing projects. A sidebar presents a HyperCard stack evaluation form. (AEF)

  12. Alkyne Benzannulation Reactions for the Synthesis of Novel Aromatic Architectures.

    Science.gov (United States)

    Hein, Samuel J; Lehnherr, Dan; Arslan, Hasan; J Uribe-Romo, Fernando; Dichtel, William R

    2017-11-21

    - and halogen-substituted alkynes. Through a combined experimental and computational approach, we have elucidated mechanistic insight and key principles that govern the regioselectivity outcome of the benzannulation of structurally diverse alkynes. We have applied these methods to prepare sterically hindered, shape-persistent aromatic systems, heterocyclic aromatic compounds, functionalized 2-aryne precursors, polyheterohalogenated naphthalenes, ortho-arylene foldamers, and graphene nanoribbons. As a result of these new synthetic avenues, aromatic structures with interesting properties were uncovered such as ambipolar charge transport in field effect transistors based on our graphene nanoribbons, conformational aspects of ortho-arylene architectures resulting from intramolecular π-stacking, and modulation of frontier molecular orbitals via protonation of heteroatom containing aromatic systems. Given the availability of many substituted 2-(phenylethynyl)benzaldehydes and the regioselectivity of the benzannulation reaction, naphthalenes can be prepared with control of the substitution pattern at seven of the eight substitutable positions. Researchers in a range of fields are likely to benefit directly from newly accessible molecular and polymeric systems derived from polyfunctionalized naphthalenes.

  13. PRECISION COSMOGRAPHY WITH STACKED VOIDS

    International Nuclear Information System (INIS)

    Lavaux, Guilhem; Wandelt, Benjamin D.

    2012-01-01

    We present a purely geometrical method for probing the expansion history of the universe from the observation of the shape of stacked voids in spectroscopic redshift surveys. Our method is an Alcock-Paczyński (AP) test based on the average sphericity of voids posited on the local isotropy of the universe. It works by comparing the temporal extent of cosmic voids along the line of sight with their angular, spatial extent. We describe the algorithm that we use to detect and stack voids in redshift shells on the light cone and test it on mock light cones produced from N-body simulations. We establish a robust statistical model for estimating the average stretching of voids in redshift space and quantify the contamination by peculiar velocities. Finally, assuming that the void statistics that we derive from N-body simulations is preserved when considering galaxy surveys, we assess the capability of this approach to constrain dark energy parameters. We report this assessment in terms of the figure of merit (FoM) of the dark energy task force and in particular of the proposed Euclid mission which is particularly suited for this technique since it is a spectroscopic survey. The FoM due to stacked voids from the Euclid wide survey may double that of all other dark energy probes derived from Euclid data alone (combined with Planck priors). In particular, voids seem to outperform baryon acoustic oscillations by an order of magnitude. This result is consistent with simple estimates based on mode counting. The AP test based on stacked voids may be a significant addition to the portfolio of major dark energy probes and its potentialities must be studied in detail.

  14. Docker on OpenStack

    OpenAIRE

    Agarwal, Nitin; Moreira, Belmiro

    2014-01-01

    Project Specification CERN is establishing a large scale private cloud based on OpenStack as part of the expansion of the computing infrastructure for storing the data coming out of the Large Hadron Collider (LHC) experiments. As the data coming out of the detectors is increasing continuously that needs to be stored in the data center, we need more physical resources (more money) and since Virtual machines takes lot of CPU and memory overhead and minutes for creating the images, booting u...

  15. Stack Monitor Operating Experience Review

    International Nuclear Information System (INIS)

    Cadwallader, L.C.; Bruyere, S.A.

    2009-01-01

    Stack monitors are used to sense radioactive particulates and gases in effluent air being vented from rooms of nuclear facilities. These monitors record the levels and types of effluents to the environment. This paper presents the results of a stack monitor operating experience review of the U.S. Department of Energy (DOE) Occurrence Reporting and Processing System (ORPS) database records from the past 18 years. Regulations regarding these monitors are briefly described. Operating experiences reported by the U.S. DOE and in engineering literature sources were reviewed to determine the strengths and weaknesses of these monitors. Electrical faults, radiation instrumentation faults, and human errors are the three leading causes of failures. A representative 'all modes' failure rate is 1E-04/hr. Repair time estimates vary from an average repair time of 17.5 hours (with spare parts on hand) to 160 hours (without spare parts on hand). These data should support the use of stack monitors in any nuclear facility, including the National Ignition Facility and the international ITER project.

  16. Lightweight Stacks of Direct Methanol Fuel Cells

    Science.gov (United States)

    Narayanan, Sekharipuram; Valdez, Thomas

    2004-01-01

    An improved design concept for direct methanol fuel cells makes it possible to construct fuel-cell stacks that can weigh as little as one-third as much as do conventional bipolar fuel-cell stacks of equal power. The structural-support components of the improved cells and stacks can be made of relatively inexpensive plastics. Moreover, in comparison with conventional bipolar fuel-cell stacks, the improved fuel-cell stacks can be assembled, disassembled, and diagnosed for malfunctions more easily. These improvements are expected to bring portable direct methanol fuel cells and stacks closer to commercialization. In a conventional bipolar fuel-cell stack, the cells are interspersed with bipolar plates (also called biplates), which are structural components that serve to interconnect the cells and distribute the reactants (methanol and air). The cells and biplates are sandwiched between metal end plates. Usually, the stack is held together under pressure by tie rods that clamp the end plates. The bipolar stack configuration offers the advantage of very low internal electrical resistance. However, when the power output of a stack is only a few watts, the very low internal resistance of a bipolar stack is not absolutely necessary for keeping the internal power loss acceptably low.

  17. Stirling engine piston ring

    Science.gov (United States)

    Howarth, Roy B.

    1983-01-01

    A piston ring design for a Stirling engine wherein the contact pressure between the piston and the cylinder is maintained at a uniform level, independent of engine conditions through a balancing of the pressure exerted upon the ring's surface and thereby allowing the contact pressure on the ring to be predetermined through the use of a preloaded expander ring.

  18. Solid Oxide Fuel Cell Stack Diagnostics

    DEFF Research Database (Denmark)

    Mosbæk, Rasmus Rode; Barfod, Rasmus Gottrup

    As SOFC technology is moving closer to a commercial break through, methods to measure the “state-of-health” of operating stacks are becoming of increasing interest. This requires application of advanced methods for detailed electrical and electrochemical characterization during operation....... An operating stack is subject to compositional gradients in the gaseous reactant streams, and temperature gradients across each cell and across the stack, which complicates detailed analysis. Several experimental stacks from Topsoe Fuel Cell A/S were characterized using Electrochemical Impedance Spectroscopy...... in the hydrogen fuel gas supplied to the stack. EIS was used to examine the long-term behavior and monitor the evolution of the impedance of each of the repeating units and the whole stack. The observed impedance was analyzed in detail for one of the repeating units and the whole stack and the losses reported...

  19. Combined effects of π-π stacking and hydrogen bonding on the (N1) acidity of uracil and hydrolysis of 2'-deoxyuridine.

    Science.gov (United States)

    Kellie, Jennifer L; Navarro-Whyte, Lex; Carvey, Matthew T; Wetmore, Stacey D

    2012-03-01

    M06-2X/6-31+G(d,p) is used to study the simultaneous effects of π-π stacking interactions with phenylalanine (modeled as benzene) and hydrogen bonding with small molecules (HF, H(2)O, and NH(3)) on the N1 acidity of uracil and the hydrolytic deglycosylation of 2'-deoxyuridine (dU) (facilitated by fully (OH(-)) or partially (HCOO(-)···H(2)O) activated water). When phenylalanine is complexed with isolated uracil, the proton affinity of all acceptor sites significantly increases (by up to 28 kJ mol(-1)), while the N1 acidity slightly decreases (by ~6 kJ mol(-1)). When small molecules are hydrogen bound to uracil, addition of the phenylalanine ring can increase or decrease the acidity of uracil depending on the number and nature (acidity) of the molecules bound. Furthermore, a strong correlation between the effects of π-π stacking on the acidity of U and the dU deglycosylation reaction energetics is found, where the hydrolysis barrier can increase or decrease depending on the nature and number of small molecules bound, the nucleophile considered (which dictates the negative charge on U in the transition state), and the polarity of the (bulk) environment. These findings emphasize that the catalytic (or anticatalytic) role of the active-site aromatic amino acid residues is highly dependent on the situation under consideration. In the case of uracil-DNA glycosylase (UNG), which catalyzes the hydrolytic excision of uracil from DNA, the type of discrete hydrogen-bonding interactions with U, the nature of the nucleophile, and the anticipated weak, nonpolar environment in the active site suggest that phenylalanine will be slightly anticatalytic in the chemical step, and therefore experimentally observed contributions to catalysis may entirely result from associated structural changes that occur prior to deglycosylation.

  20. Alternative loop rings

    CERN Document Server

    Goodaire, EG; Polcino Milies, C

    1996-01-01

    For the past ten years, alternative loop rings have intrigued mathematicians from a wide cross-section of modern algebra. As a consequence, the theory of alternative loop rings has grown tremendously. One of the main developments is the complete characterization of loops which have an alternative but not associative, loop ring. Furthermore, there is a very close relationship between the algebraic structures of loop rings and of group rings over 2-groups. Another major topic of research is the study of the unit loop of the integral loop ring. Here the interaction between loop rings and group ri

  1. A computational study of the Diels Alder reactions involving acenes: reactivity and aromaticity

    Science.gov (United States)

    Cheng, Mei-Fun; Li, Wai-Kee

    2003-01-01

    Ab initio and DFT methods have been used to study the Diels-Alder reactivity and the aromaticity of four linear acenes, namely, naphthalene, anthracene, tetracene and pentacene. In total, eight additional pathways between ethylene and four acenes have been studied and all of them are concerted and exothermic reactions. It is found that the most reactive sites on the acenes are the center ring's meso-carbons. Also, reactivity decreases along the series pentacene > tetracene > anthracene > naphthalene. In addition, the NICS results indicate that the most reactive rings in the acenes are those with the highest aromaticity. These results are consistent with those of other theoretical studies and experiments.

  2. Design and analysis of the PBFA-Z vacuum insulator stack

    International Nuclear Information System (INIS)

    Shoup, R.W.; Long, F.; Martin, T.H.; Stygar, W.A.; Spielman, R.B.; Struve, K.W.; Mostrom, M.; Corcoran, P.; Smith, I.

    1996-01-01

    Sandia is developing PBFA-Z, a 20-MA driver for z-pinch experiments by replacing the water lines, insulator stack, and MITLs on PBFA II with new hardware. The design of the vacuum insulator stack was dictated by the drive voltage, the electric field stress and grading requirements, the water line and MITL interface requirements, and the machine operations and maintenance requirements. The insulator stack will consist of four separate modules, each of a different design because of different voltage drive and hardware interface requirements. The shape of the components in each module, i.e., grading rings, insulator rings, flux excluders, anode and cathode conductors, and the design of the water line and MITL interfaces, were optimized by using the electrostatic analysis codes, ELECTRO and JASON. The time-dependent performance of the insulator stack was evaluated using IVORY, a 2-D PIC code. The insulator stack design and present the results of the ELECTRO and IVORY analyses are described. (author). 2 tabs., 9 figs., 3 refs

  3. Design and analysis of the PBFA-Z vacuum insulator stack

    Energy Technology Data Exchange (ETDEWEB)

    Shoup, R W [Field Command Defense Nuclear Agency, Kirtland AFB, NM (United States); Long, F; Martin, T H; Stygar, W A; Spielman, R B [Sandia National Laboratories, Albuquerque, NM (United States). Dept 9573; Ives, H [EG and G, Albuquerque, NM (United States); Struve, K W; Mostrom, M [Mission Research Corp., Albuquerque, NM (United States); Corcoran, P; Smith, I [Pulse Sciences, Inc., San Leandro, CA (United States)

    1997-12-31

    Sandia is developing PBFA-Z, a 20-MA driver for z-pinch experiments by replacing the water lines, insulator stack, and MITLs on PBFA II with new hardware. The design of the vacuum insulator stack was dictated by the drive voltage, the electric field stress and grading requirements, the water line and MITL interface requirements, and the machine operations and maintenance requirements. The insulator stack will consist of four separate modules, each of a different design because of different voltage drive and hardware interface requirements. The shape of the components in each module, i.e., grading rings, insulator rings, flux excluders, anode and cathode conductors, and the design of the water line and MITL interfaces, were optimized by using the electrostatic analysis codes, ELECTRO and JASON. The time-dependent performance of the insulator stack was evaluated using IVORY, a 2-D PIC code. The insulator stack design and present the results of the ELECTRO and IVORY analyses are described. (author). 2 tabs., 9 figs., 3 refs.

  4. Manipulative interplay of two adozelesin molecules with d(ATTAAT)₂achieving ligand-stacked Watson-Crick and Hoogsteen base-paired duplex adducts.

    Science.gov (United States)

    Hopton, Suzanne R; Thompson, Andrew S

    2011-05-17

    Previous structural studies of the cyclopropapyrroloindole (CPI) antitumor antibiotics have shown that these ligands bind covalently edge-on into the minor groove of double-stranded DNA. Reversible covalent modification of the DNA via N3 of adenine occurs in a sequence-specific fashion. Early nuclear magnetic resonance and molecular modeling studies with both mono- and bis-alkylating ligands indicated that the ligands fit tightly within the minor groove, causing little distortion of the helix. In this study, we propose a new binding model for several of the CPI-based analogues, in which the aromatic secondary rings form π-stacked complexes within the minor groove. One of the adducts, formed with adozelesin and the d(ATTAAT)(2) sequence, also demonstrates the ability of these ligands to manipulate the DNA of the binding site, resulting in a Hoogsteen base-paired adduct. Although this type of base pairing has been previously observed with the bisfunctional CPI analogue bizelesin, this is the first time that such an observation has been made with a monoalkylating nondimeric analogue. Together, these results provide a new model for the design of CPI-based antitumor antibiotics, which also has a significant bearing on other structurally related and structurally unrelated minor groove-binding ligands. They indicate the dynamic nature of ligand-DNA interactions, demonstrating both DNA conformational flexibility and the ability of two DNA-bound ligands to interact to form stable covalent modified complexes.

  5. Aromatic chemical feedstocks from coal

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G

    1982-06-01

    Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in the future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics.

  6. Aromatic raw materials from coal

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G

    1982-06-01

    Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics. (In German)

  7. Vertically stacked nanocellulose tactile sensor.

    Science.gov (United States)

    Jung, Minhyun; Kim, Kyungkwan; Kim, Bumjin; Lee, Kwang-Jae; Kang, Jae-Wook; Jeon, Sanghun

    2017-11-16

    Paper-based electronic devices are attracting considerable attention, because the paper platform has unique attributes such as flexibility and eco-friendliness. Here we report on what is claimed to be the firstly fully integrated vertically-stacked nanocellulose-based tactile sensor, which is capable of simultaneously sensing temperature and pressure. The pressure and temperature sensors are operated using different principles and are stacked vertically, thereby minimizing the interference effect. For the pressure sensor, which utilizes the piezoresistance principle under pressure, the conducting electrode was inkjet printed on the TEMPO-oxidized-nanocellulose patterned with micro-sized pyramids, and the counter electrode was placed on the nanocellulose film. The pressure sensor has a high sensitivity over a wide range (500 Pa-3 kPa) and a high durability of 10 4 loading/unloading cycles. The temperature sensor combines various materials such as poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS), silver nanoparticles (AgNPs) and carbon nanotubes (CNTs) to form a thermocouple on the upper nanocellulose layer. The thermoelectric-based temperature sensors generate a thermoelectric voltage output of 1.7 mV for a temperature difference of 125 K. Our 5 × 5 tactile sensor arrays show a fast response, negligible interference, and durable sensing performance.

  8. The untyped stack calculus and Bohm's theorem

    Directory of Open Access Journals (Sweden)

    Alberto Carraro

    2013-03-01

    Full Text Available The stack calculus is a functional language in which is in a Curry-Howard correspondence with classical logic. It enjoys confluence but, as well as Parigot's lambda-mu, does not admit the Bohm Theorem, typical of the lambda-calculus. We present a simple extension of stack calculus which is for the stack calculus what Saurin's Lambda-mu is for lambda-mu.

  9. Quinoidal Oligo(9,10-anthryl)s with Chain-Length-Dependent Ground States: A Balance between Aromatic Stabilization and Steric Strain Release

    KAUST Repository

    Lim, Zhenglong; Zheng, Bin; Huang, Kuo-Wei; Liu, Ye; Wu, Jishan

    2015-01-01

    : the large steric repulsion between the anthryl/phenyl units in the closed-shell quinoidal form that drives the molecule to a flexible open-shell diradical structure, and aromatic stabilisation due to the gain of more aromatic sextet rings in the closed

  10. Structure, aromaticity and reactivity of corannulene and its analogues: a conceptual density functional theory and density functional reactivity theory study

    Science.gov (United States)

    Deng, Youer; Yu, Donghai; Cao, Xiaofang; Liu, Lianghong; Rong, Chunying; Lu, Tian; Liu, Shubin

    2018-04-01

    Corannulene is an interesting yet special molecule, which has witnessed widespread applications. It is aromatic, but not planar and the total number of 20 π electrons is in conflict with Hückel's 4n + 2 rule. In this work, we design a series of analogous model systems based on this molecule with the central ring size extended from five members to three to eight members. A number of theoretical and analytical tools available in the literature are employed to systematically examine their structure, aromaticity and reactivity properties. We found that structurally speaking, they change from bowl-like to planar and then to saddle shapes as the central ring size increases from three to eight. From the reactivity perspective, species with five and six-membered-rings in the centre are chemically more stable and less reactive, which are confirmed by the numerical results from aromaticity indexes and quantities from the information-theoretic approach. Overall, our results show that only corannulene and its six-membered-ring, coronene, analogue are aromatic. Even though these two systems are aromatic in nature, they are markedly different in a number of ways in structure, reactivity and other properties. These results should provide with us insights and understanding about the phenomenon of three-dimensional and non-planarity aromaticity.

  11. ooi: OpenStack OCCI interface

    Directory of Open Access Journals (Sweden)

    Álvaro López García

    2016-01-01

    Full Text Available In this document we present an implementation of the Open Grid Forum’s Open Cloud Computing Interface (OCCI for OpenStack, namely ooi (Openstack occi interface, 2015  [1]. OCCI is an open standard for management tasks over cloud resources, focused on interoperability, portability and integration. ooi aims to implement this open interface for the OpenStack cloud middleware, promoting interoperability with other OCCI-enabled cloud management frameworks and infrastructures. ooi focuses on being non-invasive with a vanilla OpenStack installation, not tied to a particular OpenStack release version.

  12. ooi: OpenStack OCCI interface

    Science.gov (United States)

    López García, Álvaro; Fernández del Castillo, Enol; Orviz Fernández, Pablo

    In this document we present an implementation of the Open Grid Forum's Open Cloud Computing Interface (OCCI) for OpenStack, namely ooi (Openstack occi interface, 2015) [1]. OCCI is an open standard for management tasks over cloud resources, focused on interoperability, portability and integration. ooi aims to implement this open interface for the OpenStack cloud middleware, promoting interoperability with other OCCI-enabled cloud management frameworks and infrastructures. ooi focuses on being non-invasive with a vanilla OpenStack installation, not tied to a particular OpenStack release version.

  13. Antifungal activity of polycyclic aromatic hydrocarbons against Ligninolytic fungi

    Directory of Open Access Journals (Sweden)

    Memić Mustafa

    2011-01-01

    Full Text Available Environmental contamination by polycyclic aromatic hydrocarbons (PAHs has caused increasing concern because of their known, or suspected, carcinogenic and mutagenic effects. Polycyclic aromatic hydrocarbons occurring in the environment are usually the result of the incomplete combustion of carbon containing materials. The main sources of severe PAHs contamination in soil come from fossil fuels, i.e. production or use of fossil fuels or their products, such as coal tar and creosote. Creosote is used as a wood preservation for railway ties, bridge timbers, pilling and large-sized lumber. It consists mainly of PAHs, phenol and cresol compounds that cause harmful health effects. Research on biodegradation has shown that a special group of microorganisms, the white-rot fungi and brown-rot fungi, has a remarkable potential to degrade PAHs. This paper presents a study of the antifungal activity of 12 selected PAHs against two ligninolytic fungi Hypoxylon fragiforme (white rot and Coniophora puteana (brown rot. The antifungal activity of PAHs was determined by the disc-diffusion method by measuring the diameter of the zone of inhibition. The results showed that the antifungal activity of the tested PAHs (concentration of 2.5 mmol/L depends on the their properties such as molar mass, solubility in water, values of log Kow, ionization potential and Henry’s Law constant as well as number of aromatic rings, molecule topology or pattern of ring linkage. Among the 12 investigated PAHs, benzo(k fluoranthene with five rings, and pyrene with four cyclic condensed benzene rings showed the highest antifungal activity.

  14. Oxidation kinetics of polycyclic aromatic hydrocarbons by permanganate

    Energy Technology Data Exchange (ETDEWEB)

    Forsey, S.P.; Thomson, N.R.; Barker, J.F. [University of Waterloo, Waterloo, ON (Canada). Dept. of Civil & Environmental Engineering

    2010-04-15

    The reactivity of permanganate towards polycyclic aromatics hydrocarbons (PAHs) is well known but little kinetic information is available. This study investigated the oxidation kinetics of a selected group of coal tar creosote compounds and alkylbenzenes in water using permanganate, and the correlation between compound reactivity and physical/chemical properties. The oxidation of naphthalene, phenanthrene, chrysene, 1-methylnaphthalene, 2-methylnaphthalene, acenaphthene, fluorene, carbazole isopropylbenzene, ethylbenzene and methylbenzene closely followed pseudo first-order reaction kinetics. The oxidation of pyrene was initially very rapid and did not follow pseudo first-order kinetics at early times. Fluoranthene was only partially oxidized and the oxidation of anthracene was too fast to be captured. Biphenyl, dibenzofuran, benzene and tert-butylbenzene were non-reactive under the study conditions. The oxidation rate was shown to increase with increasing number of polycyclic rings because less energy is required to overcome the aromatic character of a polycyclic ring than is required for benzene. Thus the rate of oxidation increased in the series naphthalene < phenanthrene < pyrene. The rate of side chain reactivity is controlled by the C-H bond strength. For the alkyl substituted benzenes an excellent correlation was observed between the reaction rate coefficients and bond dissociation energies, but for the substituted PAHs the relationship was poor. A trend was found between the reaction rate coefficients and the calculated heats of complexation indicating that significant ring oxidation occurred in addition to side chain oxidation. Clar's aromatic sextet theory was used to predict the relative stability of arenes towards ring oxidation by permanganate.

  15. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  16. Rings in drugs.

    Science.gov (United States)

    Taylor, Richard D; MacCoss, Malcolm; Lawson, Alastair D G

    2014-07-24

    We have analyzed the rings, ring systems, and frameworks in drugs listed in the FDA Orange Book to understand the frequency, timelines, molecular property space, and the application of these rings in different therapeutic areas and target classes. This analysis shows that there are only 351 ring systems and 1197 frameworks in drugs that came onto the market before 2013. Furthermore, on average six new ring systems enter drug space each year and approximately 28% of new drugs contain a new ring system. Moreover, it is very unusual for a drug to contain more than one new ring system and the majority of the most frequently used ring systems (83%) were first used in drugs developed prior to 1983. These observations give insight into the chemical novelty of drugs and potentially efficient ways to assess compound libraries and develop compounds from hit identification to lead optimization and beyond.

  17. Birth Control Ring

    Science.gov (United States)

    ... Health Food & Fitness Diseases & Conditions Infections Drugs & Alcohol School & Jobs Sports Expert Answers (Q&A) Staying Safe Videos for Educators Search English Español Birth Control Ring KidsHealth / For Teens / Birth Control Ring What's ...

  18. Stacks of SPS Dipole Magnets

    CERN Multimedia

    1974-01-01

    Stacks of SPS Dipole Magnets ready for installation in the tunnel. The SPS uses a separated function lattice with dipoles for bending and quadrupoles for focusing. The 6.2 m long normal conducting dipoles are of H-type with coils that are bent-up at the ends. There are two types, B1 (total of 360) and B2 (384). Both are for a maximum field of 1.8 Tesla and have the same outer dimensions (450x800 mm2 vxh) but with different gaps (B1: 39x129 mm2, B2: 52x92 mm2) tailored to the beam size. The yoke, made of 1.5 mm thick laminations, consists of an upper and a lower half joined together in the median plane once the coils have been inserted.

  19. California dreaming?[PEM stacks

    Energy Technology Data Exchange (ETDEWEB)

    Crosse, J.

    2002-06-01

    Hyundai's Santa Fe FCEV will be on sale by the end of 2002. Hyundai uses PEM stacks that are manufactured by International Fuel Cells (IFC), a division of United Technologies. Santa Fe is equipped with a 65 kW electric powertrain of Enova systems and Shell's new gasoline reformer called Hydrogen Source. Eugene Jang, Senior Engineer - Fuel Cell and Materials at Hyundai stated that the compressor related losses on IFC system are below 3%. The maximum speed offered by the vehicle is estimated as 123km/hr while the petrol equivalent fuel consumption is quoted between 5.6L/100 km and 4.8L/100 km. Santa Fe is a compact vehicle offering better steering response and a pleasant drive. (author)

  20. Superconducting conversion of the Intersecting storage Rings

    International Nuclear Information System (INIS)

    1977-01-01

    A study is presented of design, performances and cost estimates for superconducting proton storage rings in the existing ISR tunnel at CERN. By using a proven technology for the superconducting magnets an energy of 120 GeV is attainable, which corresponds to a bending field of 5.12 T. Using injection from the PS and stacking at 25 GeV, followed by phase displacement acceleration, luminosities of up to 4.10 33 cm -2 s -1 at 120 GeV are obtained. (Auth.)

  1. Groups, rings, modules

    CERN Document Server

    Auslander, Maurice

    2014-01-01

    This classic monograph is geared toward advanced undergraduates and graduate students. The treatment presupposes some familiarity with sets, groups, rings, and vector spaces. The four-part approach begins with examinations of sets and maps, monoids and groups, categories, and rings. The second part explores unique factorization domains, general module theory, semisimple rings and modules, and Artinian rings. Part three's topics include localization and tensor products, principal ideal domains, and applications of fundamental theorem. The fourth and final part covers algebraic field extensions

  2. Porphyrins Fused with Unactivated Polycyclic Aromatic Hydrocarbons

    KAUST Repository

    Diev, Vyacheslav V.; Schlenker, Cody W.; Hanson, Kenneth; Zhong, Qiwen; Zimmerman, Jeramy D.; Forrest, Stephen R.; Thompson, Mark E.

    2012-01-01

    A systematic study of the preparation of porphyrins with extended conjugation by meso,β-fusion with polycyclic aromatic hydrocarbons (PAHs) is reported. The meso-positions of 5,15-unsubstituted porphyrins were readily functionalized with PAHs. Ring fusion using standard Scholl reaction conditions (FeCl 3, dichloromethane) occurs for perylene-substituted porphyrins to give a porphyrin β,meso annulated with perylene rings (0.7:1 ratio of syn and anti isomers). The naphthalene, pyrene, and coronene derivatives do not react under Scholl conditions but are fused using thermal cyclodehydrogenation at high temperatures, giving mixtures of syn and anti isomers of the meso,β-fused porphyrins. For pyrenyl-substituted porphyrins, a thermal method gives synthetically acceptable yields (>30%). Absorption spectra of the fused porphyrins undergo a progressive bathochromic shift in a series of naphthyl (λ max = 730 nm), coronenyl (λ max = 780 nm), pyrenyl (λ max = 815 nm), and perylenyl (λ max = 900 nm) annulated porphyrins. Despite being conjugated with unsubstituted fused PAHs, the β,meso-fused porphyrins are more soluble and processable than the parent nonfused precursors. Pyrenyl-fused porphyrins exhibit strong fluorescence in the near-infrared (NIR) spectral region, with a progressive improvement in luminescent efficiency (up to 13% with λ max = 829 nm) with increasing degree of fusion. Fused pyrenyl-porphyrins have been used as broadband absorption donor materials in photovoltaic cells, leading to devices that show comparatively high photovoltaic efficiencies. © 2011 American Chemical Society.

  3. Porphyrins Fused with Unactivated Polycyclic Aromatic Hydrocarbons

    KAUST Repository

    Diev, Vyacheslav V.

    2012-01-06

    A systematic study of the preparation of porphyrins with extended conjugation by meso,β-fusion with polycyclic aromatic hydrocarbons (PAHs) is reported. The meso-positions of 5,15-unsubstituted porphyrins were readily functionalized with PAHs. Ring fusion using standard Scholl reaction conditions (FeCl 3, dichloromethane) occurs for perylene-substituted porphyrins to give a porphyrin β,meso annulated with perylene rings (0.7:1 ratio of syn and anti isomers). The naphthalene, pyrene, and coronene derivatives do not react under Scholl conditions but are fused using thermal cyclodehydrogenation at high temperatures, giving mixtures of syn and anti isomers of the meso,β-fused porphyrins. For pyrenyl-substituted porphyrins, a thermal method gives synthetically acceptable yields (>30%). Absorption spectra of the fused porphyrins undergo a progressive bathochromic shift in a series of naphthyl (λ max = 730 nm), coronenyl (λ max = 780 nm), pyrenyl (λ max = 815 nm), and perylenyl (λ max = 900 nm) annulated porphyrins. Despite being conjugated with unsubstituted fused PAHs, the β,meso-fused porphyrins are more soluble and processable than the parent nonfused precursors. Pyrenyl-fused porphyrins exhibit strong fluorescence in the near-infrared (NIR) spectral region, with a progressive improvement in luminescent efficiency (up to 13% with λ max = 829 nm) with increasing degree of fusion. Fused pyrenyl-porphyrins have been used as broadband absorption donor materials in photovoltaic cells, leading to devices that show comparatively high photovoltaic efficiencies. © 2011 American Chemical Society.

  4. Minimization of the transformer inter-winding parasitic capacitance for modular stacking power supply applications

    DEFF Research Database (Denmark)

    Nguyen-Duy, Khiem; Ouyang, Ziwei; Knott, Arnold

    2014-01-01

    In an isolated power supply, the inter-winding parasitic capacitance plays a vital role in the mitigation of common mode noise currents created by fast voltage transient responses. The lower the transformer inter-winding capacitance, the more immune the power supply is to fast voltage transient...... responses. This requirement is even more critical for modular stacking applications in which multiple power supplies are stacked. This paper addresses the issue by presenting a detailed analysis and design of an unconventional isolated power supply that uses a ring core transformer with a very low inter......-winding parasitic capacitance of 10 pF. Considering its output power of 300 W, this approach yields about 0.033 pF/W inter-winding capacitance over output power, approximately thirty times lower than existing approaches in the literature. This makes the converter a suitable solution for modular stacking of fast...

  5. Catalytic aromatization of methane.

    Science.gov (United States)

    Spivey, James J; Hutchings, Graham

    2014-02-07

    Recent developments in natural gas production technology have led to lower prices for methane and renewed interest in converting methane to higher value products. Processes such as those based on syngas from methane reforming are being investigated. Another option is methane aromatization, which produces benzene and hydrogen: 6CH4(g) → C6H6(g) + 9H2(g) ΔG°(r) = +433 kJ mol(-1) ΔH°(r) = +531 kJ mol(-1). Thermodynamic calculations for this reaction show that benzene formation is insignificant below ∼600 °C, and that the formation of solid carbon [C(s)] is thermodynamically favored at temperatures above ∼300 °C. Benzene formation is insignificant at all temperatures up to 1000 °C when C(s) is included in the calculation of equilibrium composition. Interestingly, the thermodynamic limitation on benzene formation can be minimized by the addition of alkanes/alkenes to the methane feed. By far the most widely studied catalysts for this reaction are Mo/HZSM-5 and Mo/MCM-22. Benzene selectivities are generally between 60 and 80% at methane conversions of ∼10%, corresponding to net benzene yields of less than 10%. Major byproducts include lower molecular weight hydrocarbons and higher molecular weight substituted aromatics. However, carbon formation is inevitable, but the experimental findings show this can be kinetically limited by the use of H2 or oxidants in the feed, including CO2 or steam. A number of reactor configurations involving regeneration of the carbon-containing catalyst have been developed with the goal of minimizing the cost of regeneration of the catalyst once deactivated by carbon deposition. In this tutorial review we discuss the thermodynamics of this process, the catalysts used and the potential reactor configurations that can be applied.

  6. Interaction of albumin with perylene-diimides with aromatic substituents

    Science.gov (United States)

    Farooqi, Mohammed; Penick, Mark; Burch, Jessica; Negrete, George; Brancaleon, Lorenzo

    2015-03-01

    Polyaromatic hydrocarbons (PAH) binding to proteins remains one of the fundamental aspects of research in biophysics. Ligand binding can regulate the function of proteins. Binding to small ligands remains a very important aspect in the study of the function of many proteins. Perylene diimide or PDI derivatives have attracted initial interest as industrial dyes and pigments. Recently, much attention has been focused on their strong π - π stacks resulting from the large PDI aromatic core. These PDI stacks have distinct optical properties, and provide informative models that mimic the light-harvesting system and initial charge separation and charge transfer in the photosynthetic system. The absorption property of PDI derivatives may be largely tuned from visible to near-infrared region by chemical modifications at the bay-positions. We are currently studying a new class of PDI derivatives with substituents made of the side chains of aromatic amino acids (Tyrosine, Tryptophan and Phenylalanine). We have looked at the fluorescence absorption and emission of these PDIs in water and other organic solvents. PDIs show evidence of dimerization and possible aggregation. We also present binding studies of these PDIs with Human Serum Albumin (HSA). The binding was studied using fluorescence emission quenching of the HSA Tryptophan residue. Stern-Volmer equation is used to derive the quenching constants. PDI binding to HSA also has an effect on the fluorescence emission of the PDIs themselves by red shifting the spectra. Funded by RCMI grant.

  7. Dibenzoheptazethrene isomers with different biradical characters: An exercise of clar's aromatic sextet rule in singlet biradicaloids

    KAUST Repository

    Sun, Zhe; Lee, Sangsu; Park, Kyuhyung; Zhu, Xiaojian; Zhang, Wenhua; Zheng, Bin; Hu, Pan; Zeng, Zebing; Das, Soumyajit; Li, Yuan; Chi, Chunyan; Li, Runwei; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan

    2013-01-01

    that the number of aromatic sextet rings plays an important role in determination of their ground states. In order to test the validity of this rule in singlet biradicaloids, the two soluble and stable dibenzoheptazethrene isomers DBHZ1 and DBHZ2 were prepared

  8. Vector Fields and Flows on Differentiable Stacks

    DEFF Research Database (Denmark)

    A. Hepworth, Richard

    2009-01-01

    This paper introduces the notions of vector field and flow on a general differentiable stack. Our main theorem states that the flow of a vector field on a compact proper differentiable stack exists and is unique up to a uniquely determined 2-cell. This extends the usual result on the existence...... of vector fields....

  9. Project W-420 stack monitoring system upgrades

    International Nuclear Information System (INIS)

    CARPENTER, K.E.

    1999-01-01

    This project will execute the design, procurement, construction, startup, and turnover activities for upgrades to the stack monitoring system on selected Tank Waste Remediation System (TWRS) ventilation systems. In this plan, the technical, schedule, and cost baselines are identified, and the roles and responsibilities of project participants are defined for managing the Stack Monitoring System Upgrades, Project W-420

  10. 40 CFR 61.44 - Stack sampling.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Stack sampling. 61.44 Section 61.44 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL... Firing § 61.44 Stack sampling. (a) Sources subject to § 61.42(b) shall be continuously sampled, during...

  11. On the "stacking fault" in copper

    NARCIS (Netherlands)

    Fransens, J.R.; Pleiter, F

    2003-01-01

    The results of a perturbed gamma-gamma angular correlations experiment on In-111 implanted into a properly cut single crystal of copper show that the defect known in the literature as "stacking fault" is not a planar faulted loop but a stacking fault tetrahedron with a size of 10-50 Angstrom.

  12. Learning OpenStack networking (Neutron)

    CERN Document Server

    Denton, James

    2014-01-01

    If you are an OpenStack-based cloud operator with experience in OpenStack Compute and nova-network but are new to Neutron networking, then this book is for you. Some networking experience is recommended, and a physical network infrastructure is required to provide connectivity to instances and other network resources configured in the book.

  13. Status of MCFC stack technology at IHI

    Energy Technology Data Exchange (ETDEWEB)

    Hosaka, M.; Morita, T.; Matsuyama, T.; Otsubo, M. [Ishikawajima-Harima Heavy Industries Co., Ltd., Tokyo (Japan)

    1996-12-31

    The molten carbonate fuel cell (MCFC) is a promising option for highly efficient power generation possible to enlarge. IHI has been studying parallel flow MCFC stacks with internal manifolds that have a large electrode area of 1m{sup 2}. IHI will make two 250 kW stacks for MW plant, and has begun to make cell components for the plant. To improve the stability of stack, soft corrugated plate used in the separator has been developed, and a way of gathering current from stacks has been studied. The DC output potential of the plant being very high, the design of electric insulation will be very important. A 20 kW short stack test was conducted in 1995 FY to certificate some of the improvements and components of the MW plant. These activities are presented below.

  14. Modular fuel-cell stack assembly

    Science.gov (United States)

    Patel, Pinakin

    2010-07-13

    A fuel cell assembly having a plurality of fuel cells arranged in a stack. An end plate assembly abuts the fuel cell at an end of said stack. The end plate assembly has an inlet area adapted to receive an exhaust gas from the stack, an outlet area and a passage connecting the inlet area and outlet area and adapted to carry the exhaust gas received at the inlet area from the inlet area to the outlet area. A further end plate assembly abuts the fuel cell at a further opposing end of the stack. The further end plate assembly has a further inlet area adapted to receive a further exhaust gas from the stack, a further outlet area and a further passage connecting the further inlet area and further outlet area and adapted to carry the further exhaust gas received at the further inlet area from the further inlet area to the further outlet area.

  15. Retardation effect of nitrogen compounds and condensed aromatics on shale oil catalytic cracking processing and their characterization.

    Science.gov (United States)

    Li, Nan; Chen, Chen; Wang, Bin; Li, Shaojie; Yang, Chaohe; Chen, Xiaobo

    Untreated shale oil, shale oil treated with HCl aqueous solution and shale oil treated with HCl and furfural were used to do comparative experiments in fixed bed reactors. Nitrogen compounds and condensed aromatics extracted by HCl and furfural were characterized by electrospray ionization Fourier transform cyclotron resonance mass spectrometry and gas chromatography and mass spectrometry, respectively. Compared with untreated shale oil, the conversion and yield of liquid products increased considerably after removing basic nitrogen compounds by HCl extraction. Furthermore, after removing nitrogen compounds and condensed aromatics by both HCl and furfural, the conversion and yield of liquid products further increased. In addition, N 1 class species are predominant in both basic and non-basic nitrogen compounds, and they are probably indole, carbazole, cycloalkyl-carbazole, pyridine and cycloalkyl-pyridine. As for the condensed aromatics, most of them possess aromatic rings with two to three rings and zero to four carbon atom.

  16. Formation of polycyclic aromatic hydrocarbons in circumstellar envelopes

    International Nuclear Information System (INIS)

    Frenklach, M.; Feigelson, E.D.

    1989-01-01

    Production of polycyclic aromatic hydrocarbons in carbon-rich circumstellar envelopes was investigated using a kinetic approach. A detailed chemical reaction mechanism of gas-phase PAH formation and growth, containing approximately 100 reactions of 40 species, was numerically solved under the physical conditions expected in cool stellar winds. The chemistry is based on studies of soot production in hydrocarbon pyrolysis and combustion. Several first-ring and second-ring cyclization processes were considered. A linear lumping algorithm was used to describe PAH growth beyond the second aromatic ring. PAH production using this mechanism was examined with respect to a grid of idealized constant velocity stellar winds as well as several published astrophysical models. The basic result is that the onset of PAH production in the interstellar envelopes is predicted to occur within the temperature interval of 1100 to 900 K. The absolute amounts of the PAHs formed, however, are very sensitive to a number of parameters, both chemical and astrophysical, whose values are not accurately known. Astrophysically meaningful quantities of PAHs require particularly dense and slow stellar winds and high initial acetylene abundance. It is suggested that most of the PAHs may be produced in a relatively small fraction of carbon-rich red giants. 87 refs

  17. Probing Temperature Inside Planar SOFC Short Stack, Modules, and Stack Series

    Science.gov (United States)

    Yu, Rong; Guan, Wanbing; Zhou, Xiao-Dong

    2017-02-01

    Probing temperature inside a solid oxide fuel cell (SOFC) stack lies at the heart of the development of high-performance and stable SOFC systems. In this article, we report our recent work on the direct measurements of the temperature in three types of SOFC systems: a 5-cell short stack, a 30-cell stack module, and a stack series consisting of two 30-cell stack modules. The dependence of temperature on the gas flow rate and current density was studied under a current sweep or steady-state operation. During the current sweep, the temperature inside the 5-cell stack decreased with increasing current, while it increased significantly at the bottom and top of the 30-cell stack. During a steady-state operation, the temperature of the 5-cell stack was stable while it was increased in the 30-cell stack. In the stack series, the maximum temperature gradient reached 190°C when the gas was not preheated. If the gas was preheated and the temperature gradient was reduced to 23°C in the stack series with the presence of a preheating gas and segmented temperature control, this resulted in a low degradation rate.

  18. The impact of stack geometry and mean pressure on cold end temperature of stack in thermoacoustic refrigeration systems

    Science.gov (United States)

    Wantha, Channarong

    2018-02-01

    This paper reports on the experimental and simulation studies of the influence of stack geometries and different mean pressures on the cold end temperature of the stack in the thermoacoustic refrigeration system. The stack geometry was tested, including spiral stack, circular pore stack and pin array stack. The results of this study show that the mean pressure of the gas in the system has a significant impact on the cold end temperature of the stack. The mean pressure of the gas in the system corresponds to thermal penetration depth, which results in a better cold end temperature of the stack. The results also show that the cold end temperature of the pin array stack decreases more than that of the spiral stack and circular pore stack geometry by approximately 63% and 70%, respectively. In addition, the thermal area and viscous area of the stack are analyzed to explain the results of such temperatures of thermoacoustic stacks.

  19. Five stacks over the Danube

    International Nuclear Information System (INIS)

    Anon.

    1998-01-01

    Following the departure of Communism, Hungary adopted the most ambitious privatisation programme of all the eastern European countries. Within a year the state electricity company, MVM, and the oil and gas company, MOL, were prepared for sale and a consequent injection of foreign capital. Control of prices by central government inhibited investment initially but a new legal framework put in place in 1995 introduced a pricing regime more attractive to external investors. Particular interest was shown in the 2,200MW mixed heavy oil and natural gas power plant at Dunamenti on the Danube, characterised by its five stacks of varying height which reflect the changing technology employed at the plant. The bid was won by Tractabel of Belgium who have been highly successful in improving plant efficiency. However, the impact of privatisation is now being felt in uncertainty over fuel supply. Removing such uncertainty in order to maintain existing investment and provide the additional 4000MW of generating capacity needed to keep pace with demand, is a major problem which the incoming government faces. (UK)

  20. Exposure to polycyclic aromatic hydrocarbons with special focus on cancer

    Directory of Open Access Journals (Sweden)

    Thamaraiselvan Rengarajan

    2015-03-01

    Full Text Available Polycyclic aromatic hydrocarbons (PAHs are a group of compounds consisting of two or more fused aromatic rings. Most of them are formed during incomplete combustion of organic materials such as wood and fossil fuels, petroleum products, and coal. The composition of PAH mixtures varies with the source and is also affected by selective weathering effects in the environment. PAHs are ubiquitous pollutants frequently found in a variety of environments such as fresh water and marine sediments, the atmosphere, and ice. Due to their widespread distribution, the environmental pollution due to PAHs has aroused global concern. Many PAHs and their epoxides are highly toxic, mutagenic and/or carcinogenic to microorganisms as well as to higher forms of life including humans. The main aim of this review is to provide contemporary information on PAH sources, route of exposure, worldwide emission rate, and adverse effects on humans, especially with reference to cancer.

  1. Spectroscopic and theoretical studies on the aromaticity of pyrrol-2-yl-carbonyl conformers

    Science.gov (United States)

    Dubis, Alina T.; Wojtulewski, Sławomir; Filipkowski, Karol

    2013-06-01

    The aromaticity of s-cis and s-trans pyrrol-2-yl carbonyl conformers was studied by FT-IR, 1H NMR spectroscopy and DFT calculations at the B3LYP/6-311++G(d,p) level of theory. The Harmonic Oscillator Model of Aromaticity (HOMA) and Nucleus Independent Chemical Shift (NICS) indices were calculated to estimate π-electron delocalization in the pyrrole ring. The usefulness of infrared spectroscopy in the evaluation of the aromaticity of the homogeneous set of pyrroles is discussed. The influence of 2-substitution on different aspects of aromaticity and stability of the pyrrol-2-yl carbonyl conformers is also discussed. It is concluded that the substitution effect of the title pyrrole derivatives can be explained on the basis of theoretical and experimental measurements of π-electron delocalization, including IR data.

  2. Advances towards aromatic oligoamide foldamers

    DEFF Research Database (Denmark)

    Hjelmgaard, Thomas; Plesner, Malene; Dissing, Mette Marie

    2014-01-01

    We have efficiently synthesized 36 arylopeptoid dimers with ortho-, meta-, and para-substituted aromatic backbones and tert-butyl or phenyl side chains. The dimers were synthesized by using a "submonomer method" on solid phase, by applying a simplified common set of reaction conditions. X......-ray crystallographic analysis of two of these dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a comparatively more closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation with a more open, extended structure...... of the surrounding aromatic backbone. Investigation of the X-ray structures of two arylopeptoid dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation...

  3. Three-dimensional aromatic networks.

    Science.gov (United States)

    Toyota, Shinji; Iwanaga, Tetsuo

    2014-01-01

    Three-dimensional (3D) networks consisting of aromatic units and linkers are reviewed from various aspects. To understand principles for the construction of such compounds, we generalize the roles of building units, the synthetic approaches, and the classification of networks. As fundamental compounds, cyclophanes with large aromatic units and aromatic macrocycles with linear acetylene linkers are highlighted in terms of transannular interactions between aromatic units, conformational preference, and resolution of chiral derivatives. Polycyclic cage compounds are constructed from building units by linkages via covalent bonds, metal-coordination bonds, or hydrogen bonds. Large cage networks often include a wide range of guest species in their cavity to afford novel inclusion compounds. Topological isomers consisting of two or more macrocycles are formed by cyclization of preorganized species. Some complicated topological networks are constructed by self-assembly of simple building units.

  4. [Macromolecular aromatic network characteristics of Chinese power coal analyzed by synchronous fluorescence and X-ray diffraction].

    Science.gov (United States)

    Ye, Cui-Ping; Feng, Jie; Li, Wen-Ying

    2012-07-01

    Coal structure, especially the macromolecular aromatic skeleton structure, has a strong influence on coke reactivity and coal gasification, so it is the key to grasp the macromolecular aromatic skeleton coal structure for getting the reasonable high efficiency utilization of coal. However, it is difficult to acquire their information due to the complex compositions and structure of coal. It has been found that the macromolecular aromatic network coal structure would be most isolated if small molecular of coal was first extracted. Then the macromolecular aromatic skeleton coal structure would be clearly analyzed by instruments, such as X-ray diffraction (XRD), fluorescence spectroscopy with synchronous mode (Syn-F), Gel permeation chromatography (GPC) etc. Based on the previous results, according to the stepwise fractional liquid extraction, two Chinese typical power coals, PS and HDG, were extracted by silica gel as stationary phase and acetonitrile, tetrahydrofuran (THF), pyridine and 1-methyl-2-pyrollidinone (NMP) as a solvent group for sequential elution. GPC, Syn-F and XRD were applied to investigate molecular mass distribution, condensed aromatic structure and crystal characteristics. The results showed that the size of aromatic layers (La) is small (3-3.95 nm) and the stacking heights (Lc) are 0.8-1.2 nm. The molecular mass distribution of the macromolecular aromatic network structure is between 400 and 1 130 amu, with condensed aromatic numbers of 3-7 in the structure units.

  5. Bioassay of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Van Kirk, E.A.

    1980-08-01

    A positive relationship was found between the photodynamic activity of 24 polycyclic aromatic hydrocarbons versus published results on the mutagenicity, carcinogenicity, and initiation of unscheduled DNA synthesis. Metabolic activation of benzo(a)pyrene resulted in detection of increased mutagenesis in Paramecium tetraurelia as found also in the Ames Salmonella assay. The utility of P. tetraurelia as a biological detector of hazardous polycyclic aromatic hydrocarbons is discussed.

  6. Density of oxidation-induced stacking faults in damaged silicon

    NARCIS (Netherlands)

    Kuper, F.G.; Hosson, J.Th.M. De; Verwey, J.F.

    1986-01-01

    A model for the relation between density and length of oxidation-induced stacking faults on damaged silicon surfaces is proposed, based on interactions of stacking faults with dislocations and neighboring stacking faults. The model agrees with experiments.

  7. Dynamical stability of slip-stacking particles

    Energy Technology Data Exchange (ETDEWEB)

    Eldred, Jeffrey; Zwaska, Robert

    2014-09-01

    We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual simulation. We find perturbative solutions for stable particle trajectories. We establish Booster beam quality requirements to achieve 97% slip-stacking efficiency. We show that slip-stacking dynamics directly correspond to the driven pendulum and to the system of two standing-wave traps moving with respect to each other.

  8. Text-Filled Stacked Area Graphs

    DEFF Research Database (Denmark)

    Kraus, Martin

    2011-01-01

    -filled stacked area graphs; i.e., graphs that feature stacked areas that are filled with small-typed text. Since these graphs allow for computing the text layout automatically, it is possible to include large amounts of textual detail with very little effort. We discuss the most important challenges and some...... solutions for the design of text-filled stacked area graphs with the help of an exemplary visualization of the genres, publication years, and titles of a database of several thousand PC games....

  9. Tunable electro-optic filter stack

    Science.gov (United States)

    Fontecchio, Adam K.; Shriyan, Sameet K.; Bellingham, Alyssa

    2017-09-05

    A holographic polymer dispersed liquid crystal (HPDLC) tunable filter exhibits switching times of no more than 20 microseconds. The HPDLC tunable filter can be utilized in a variety of applications. An HPDLC tunable filter stack can be utilized in a hyperspectral imaging system capable of spectrally multiplexing hyperspectral imaging data acquired while the hyperspectral imaging system is airborne. HPDLC tunable filter stacks can be utilized in high speed switchable optical shielding systems, for example as a coating for a visor or an aircraft canopy. These HPDLC tunable filter stacks can be fabricated using a spin coating apparatus and associated fabrication methods.

  10. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yang; Tu, Xingchen; Wang, Hao; Hou, Shimin, E-mail: smhou@pku.edu.cn [Centre for Nanoscale Science and Technology, Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871 (China); Sanvito, Stefano [School of Physics, AMBER and CRANN Institute, Trinity College, Dublin 2 (Ireland)

    2015-04-28

    The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Green’s function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  11. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    KAUST Repository

    Li, Yang; Tu, Xingchen; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2015-01-01

    © 2015 AIP Publishing LLC. The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  12. Catalytic oxidation of o-aminophenols and aromatic amines by mushroom tyrosinase.

    Science.gov (United States)

    Muñoz-Muñoz, Jose Luis; Garcia-Molina, Francisco; Garcia-Ruiz, Pedro Antonio; Varon, Ramon; Tudela, Jose; Rodriguez-Lopez, Jose N; Garcia-Canovas, Francisco

    2011-12-01

    The kinetics of tyrosinase acting on o-aminophenols and aromatic amines as substrates was studied. The catalytic constants of aromatic monoamines and o-diamines were both low, these results are consistent with our previous mechanism in which the slow step is the transfer of a proton by a hydroxyl to the peroxide in oxy-tyrosinase (Fenoll et al., Biochem. J. 380 (2004) 643-650). In the case of o-aminophenols, the hydroxyl group indirectly cooperates in the transfer of the proton and consequently the catalytic constants in the action of tyrosinase on these compounds are higher. In the case of aromatic monoamines, the Michaelis constants are of the same order of magnitude than for monophenols, which suggests that the monophenols bind better (higher binding constant) to the enzyme to facilitate the π-π interactions between the aromatic ring and a possible histidine of the active site. In the case of aromatic o-diamines, both the catalytic and Michaelis constants are low, the values of the catalytic constants being lower than those of the corresponding o-diphenols. The values of the Michaelis constants of the aromatic o-diamines are slightly lower than those of their corresponding o-diphenols, confirming that the aromatic o-diamines bind less well (lower binding constant) to the enzyme. Copyright © 2011 Elsevier B.V. All rights reserved.

  13. VUV Optics Development for the Elettra Storage Ring FEL

    CERN Document Server

    Guenster, Stefan

    2004-01-01

    Vacuum ultraviolet optical components for the storage ring FEL at Elettra are under continuous development in the European research consortium EUFELE. Target of the project is the progress to shorter lasing wavelengths in the VUV spectral range. The current status allows lasing with oxide mirror systems down to 190 nm. The main obstacles for the development of optical coatings for shorter wavelengths is the high energetic background of the synchrotron radiation impinging onto the front mirror in the laser cavity. Investigations in single layer systems and multilayer stacks of oxide or fluoride materials demonstrate that fluoride mirrors reach highest reflectivity values down to 140 nm, and oxide coatings possess a satisfactory resistance against the high energetic background irradiation. However, pure oxide multilayer stacks exhibit significant absorption below 190 nm and pure fluoride stacks suffer from strong degradation effects under synchrotron radiation. A solution could be hybrid systems, combining fluo...

  14. Token Ring Project

    Directory of Open Access Journals (Sweden)

    Adela Ionescu

    2007-01-01

    Full Text Available Ring topology is a simple configuration used to connect processes that communicate among themselves. A number of network standards such as token ring, token bus, and FDDI are based on the ring connectivity. This article will develop an implementation of a ring of processes that communicate among themselves via pipe links. The processes are nodes in the ring. Each process reads from its standard input and writes in its standard output. N-1 process redirects the its standard output to a standard input of the process through a pipe. When the ring-structure is designed, the project can be extended to simulate networks or to implement algorithms for mutual exclusion

  15. Token ring technology report

    CERN Document Server

    2013-01-01

    Please note this is a Short Discount publication. This report provides an overview of the IBM Token-Ring technology and products built by IBM and compatible vendors. It consists of two sections: 1. A summary of the design trade-offs for the IBM Token-Ring. 2. A summary of the products of the major token-ring compatible vendors broken down by adapters and components, wiring systems, testing, and new chip technology.

  16. Radioactive gold ring dermatitis

    International Nuclear Information System (INIS)

    Miller, R.A.; Aldrich, J.E.

    1990-01-01

    A superficial squamous cell carcinoma developed in a woman who wore a radioactive gold ring for more than 30 years. Only part of the ring was radioactive. Radiation dose measurements indicated that the dose to basal skin layer was 2.4 Gy (240 rad) per week. If it is assumed that the woman continually wore her wedding ring for 37 years since purchase, she would have received a maximum dose of approximately 4600 Gy

  17. Physics of quantum rings

    International Nuclear Information System (INIS)

    Fomin, Vladimir M.

    2014-01-01

    Presents the new class of materials of quantum rings. Provides an elemental basis for low-cost high-performance devices promising for electronics, optoelectronics, spintronics and quantum information processing. Explains the physical properties of quantum rings to cover a gap in scientific literature. Presents the application of most advanced nanoengineering and nanocharacterization techniques. This book deals with a new class of materials, quantum rings. Innovative recent advances in experimental and theoretical physics of quantum rings are based on the most advanced state-of-the-art fabrication and characterization techniques as well as theoretical methods. The experimental efforts allow to obtain a new class of semiconductor quantum rings formed by capping self-organized quantum dots grown by molecular beam epitaxy. Novel optical and magnetic properties of quantum rings are associated with non-trivial topologies at the nanoscale. An adequate characterization of quantum rings is possible on the basis of modern characterization methods of nanostructures, such as Scanning Tunneling Microscopy. A high level of complexity is demonstrated to be needed for a dedicated theoretical model to adequately represent the specific features of quantum rings. The findings presented in this book contribute to develop low-cost high-performance electronic, spintronic, optoelectronic and information processing devices based on quantum rings.

  18. Aromatic Base Stacking in DNA: From ab initio Calculations to Molecular Dynamics Simulations

    Czech Academy of Sciences Publication Activity Database

    Šponer, Jiří; Berger, I.; Špačková, Naďa; Leszczynski, J.; Hobza, Pavel

    Conversation 11, č. 2 (2000), s. 383-407 ISSN 0739-1102 R&D Projects: GA AV ČR IAA4040903; GA AV ČR IAA4004702; GA ČR GA203/00/0633 Institutional research plan: CEZ:AV0Z4040901; CEZ:A54/98:Z4-040-9-ii Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.826, year: 2000

  19. Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Salama, Farid

    2010-01-01

    Carbonaceous materials play an important role in space. Polycyclic Aromatic Hydrocarbons (PAHs) are a ubiquitous component of the carbonaceous materials. PAHs are the best-known candidates to account for the IR emission bands. They are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge is to reproduce in the laboratory the physical conditions that exist in the emission and absorption interstellar zones. The harsh physical conditions of the ISM -low temperature, collisionless, strong UV radiation fields- are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions and radicals are formed from the neutral precursors in an isolated environment at low temperature and probed with high-sensitivity cavity ringdown spectroscopy in the NUV-NIR range. Carbon nanoparticles are also formed during the short residence time of the precursors in the plasma and are characterized with time-offlight mass spectrometry. These experiments provide unique information on the spectra of large carbonaceous molecules and ions in the gas phase that can now be directly compared to interstellar and circumstellar observations (IR emission bands, DIBs, extinction curve). These findings also hold great potential for understanding the formation process of interstellar carbonaceous grains. We will review recent progress in the experimental and theoretical studies of PAHs, compare the laboratory data with astronomical observations and discuss the global implications.

  20. Characterization of Piezoelectric Stacks for Space Applications

    Science.gov (United States)

    Sherrit, Stewart; Jones, Christopher; Aldrich, Jack; Blodget, Chad; Bao, Xiaoqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to actuate mechanisms to precision levels in the nanometer range and below. Co-fired multilayer piezoelectric stacks offer the required actuation precision that is needed for such mechanisms. To obtain performance statistics and determine reliability for extended use, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and high temperatures and voltages. In order to study the lifetime performance of these stacks, five actuators were driven sinusoidally for up to ten billion cycles. An automated data acquisition system was developed and implemented to monitor each stack's electrical current and voltage waveforms over the life of the test. As part of the monitoring tests, the displacement, impedance, capacitance and leakage current were measured to assess the operation degradation. This paper presents some of the results of this effort.

  1. The stack on software and sovereignty

    CERN Document Server

    Bratton, Benjamin H

    2016-01-01

    A comprehensive political and design theory of planetary-scale computation proposing that The Stack -- an accidental megastructure -- is both a technological apparatus and a model for a new geopolitical architecture.

  2. Development of Auto-Stacking Warehouse Truck

    Directory of Open Access Journals (Sweden)

    Kuo-Hsien Hsia

    2018-03-01

    Full Text Available Warehouse automation is a very important issue for the promotion of traditional industries. For the production of larger and stackable products, it is usually necessary to operate a fork-lifter for the stacking and storage of the products by a skilled person. The general autonomous warehouse-truck does not have the ability of stacking objects. In this paper, we develop a prototype of auto-stacking warehouse-truck that can work without direct operation by a skill person. With command made by an RFID card, the stacker truck can take the packaged product to the warehouse on the prior-planned route and store it in a stacking way in the designated storage area, or deliver the product to the shipping area or into the container from the storage area. It can significantly reduce the manpower requirements of the skilled-person of forklift technician and improve the safety of the warehousing area.

  3. Exploring online evolution of network stacks

    OpenAIRE

    Imai, Pierre

    2013-01-01

    Network stacks today follow a one-size-fits-all philosophy. They are mostly kept unmodified due to often prohibitive costs of engineering, deploying and administrating customisation of the networking software, with the Internet stack architecture still largely being based on designs and assumptions made for the ARPANET 40 years ago. We venture that heterogeneous and rapidly changing networks of the future require, in order to be successful, run-time self-adaptation mechanisms at different tim...

  4. A Time-predictable Stack Cache

    DEFF Research Database (Denmark)

    Abbaspour, Sahar; Brandner, Florian; Schoeberl, Martin

    2013-01-01

    Real-time systems need time-predictable architectures to support static worst-case execution time (WCET) analysis. One architectural feature, the data cache, is hard to analyze when different data areas (e.g., heap allocated and stack allocated data) share the same cache. This sharing leads to le...... of a cache for stack allocated data. Our port of the LLVM C++ compiler supports the management of the stack cache. The combination of stack cache instructions and the hardware implementation of the stack cache is a further step towards timepredictable architectures.......Real-time systems need time-predictable architectures to support static worst-case execution time (WCET) analysis. One architectural feature, the data cache, is hard to analyze when different data areas (e.g., heap allocated and stack allocated data) share the same cache. This sharing leads to less...... precise results of the cache analysis part of the WCET analysis. Splitting the data cache for different data areas enables composable data cache analysis. The WCET analysis tool can analyze the accesses to these different data areas independently. In this paper we present the design and implementation...

  5. StackGAN++: Realistic Image Synthesis with Stacked Generative Adversarial Networks

    OpenAIRE

    Zhang, Han; Xu, Tao; Li, Hongsheng; Zhang, Shaoting; Wang, Xiaogang; Huang, Xiaolei; Metaxas, Dimitris

    2017-01-01

    Although Generative Adversarial Networks (GANs) have shown remarkable success in various tasks, they still face challenges in generating high quality images. In this paper, we propose Stacked Generative Adversarial Networks (StackGAN) aiming at generating high-resolution photo-realistic images. First, we propose a two-stage generative adversarial network architecture, StackGAN-v1, for text-to-image synthesis. The Stage-I GAN sketches the primitive shape and colors of the object based on given...

  6. Stacking of purines in water: the role of dipolar interactions in caffeine.

    Science.gov (United States)

    Tavagnacco, L; Di Fonzo, S; D'Amico, F; Masciovecchio, C; Brady, J W; Cesàro, A

    2016-05-11

    During the last few decades it has been ascertained that base stacking is one of the major contributions stabilizing nucleic acid conformations. However, the understanding of the nature of the interactions involved in the stacking process remains under debate and it is a subject of theoretical and experimental studies. Structural similarity between purine bases (guanine and adenine) in DNA and the caffeine molecule makes caffeine an excellent model for the purine bases. The present study clearly shows that dipolar interactions play a fundamental role in determining stacking of purine molecules in solution. In order to reach this achievement, polarized ultraviolet Raman resonant scattering experiments have been carried out on caffeine aqueous solutions as a function of concentration and temperature. The investigation pointed out at the aggregation and solvation properties, particularly at elevated temperatures. Kubo-Anderson theory was used as a framework to investigate the non-coincidence effect (NCE) occurring in the totally symmetric breathing modes of the purine rings, and in the bending modes of the methyl groups of caffeine. The NCE concentration dependence shows that caffeine aggregation at 80 °C occurs by planar stacking of the hydrophobic faces. The data clearly indicate that dipolar interactions determine the reorientational motion of the molecules in solution and are the driving force for the stacking of caffeine. In parallel, the observed dephasing times imply a change in caffeine interactions as a function of temperature and concentration. A decrease, at low water content, of the dephasing time for the ring breathing vibration mode indicates that self-association alters the solvation structure that is detectable at low concentration. These results are in agreement with simulation predictions and serve as an important validation of the models used in those calculations.

  7. Bacterial degradation of monocyclic aromatic amines

    Directory of Open Access Journals (Sweden)

    Pankaj Kumar Arora

    2015-08-01

    Full Text Available Aromatic amines are an important group of industrial chemicals, which are widely used for manufacturing of dyes, pesticides, drugs, pigments, and other industrial products. These compounds have been considered highly toxic to human beings due to their carcinogenic nature. Three groups of aromatic amines have been recognized: monocyclic, polycyclic and heterocyclic aromatic amines. Bacterial degradation of several monocyclic aromatic compounds has been studied in a variety of bacteria, which utilizes monocyclic aromatic amines as their sole source of carbon and energy. Several degradation pathways have been proposed and the related enzymes and genes have also been characterized. Many reviews have been reviewed toxicity of monocyclic aromatic amines; however, there is lack of review on biodegradation of monocyclic aromatic amines. The aim of this review is to summarize bacterial degradation of monocyclic aromatic amines. This review will increase our current understanding of biochemical and molecular basis of bacterial degradation of monocyclic aromatic amines.

  8. Virtual Exploration of the Ring Systems Chemical Universe.

    Science.gov (United States)

    Visini, Ricardo; Arús-Pous, Josep; Awale, Mahendra; Reymond, Jean-Louis

    2017-11-27

    Here, we explore the chemical space of all virtually possible organic molecules focusing on ring systems, which represent the cyclic cores of organic molecules obtained by removing all acyclic bonds and converting all remaining atoms to carbon. This approach circumvents the combinatorial explosion encountered when enumerating the molecules themselves. We report the chemical universe database GDB4c containing 916 130 ring systems up to four saturated or aromatic rings and maximum ring size of 14 atoms and GDB4c3D containing the corresponding 6 555 929 stereoisomers. Almost all (98.6%) of these ring systems are unknown and represent chiral 3D-shaped macrocycles containing small rings and quaternary centers reminiscent of polycyclic natural products. We envision that GDB4c can serve to select new ring systems from which to design analogs of such natural products. The database is available for download at www.gdb.unibe.ch together with interactive visualization and search tools as a resource for molecular design.

  9. EBT ring physics

    International Nuclear Information System (INIS)

    Uckan, N.A.

    1980-04-01

    This workshop attempted to evaluate the status of the current experimental and theoretical understanding of hot electron ring properties. The dominant physical processes that influence ring formation, scaling, and their optimal behavior are also studied. Separate abstracts were prepared for each of the 27 included papers

  10. Evaluation of the Aromaticity of a Non-Planar Carbon Nano-Structure by Nucleus-Independent Chemical Shift Criterion: Aromaticity of the Nitrogen- Doped Corannulene

    Directory of Open Access Journals (Sweden)

    A. Reisi-Vanani

    2014-04-01

    Full Text Available Substitution of two or four carbon atoms by nitrogen in the corannulene molecule as a carbon nanostructure was done and the obtained structures were optimized at MP2/6-31G(d level of theory. Calculations of the nucleus-independent chemical shift (NICS were performed to analyze the aromaticity of the corannulene rings and its derivatives upon doping with N at B3LYP/6-31G(d level of theory. Results showed NICS values in six-membered and five-membered rings of two and four N atoms doped corannulene are different and very dependent to number and position of the N atoms. The values of the mean NICS of all N-doped structures are more positive than intact corannulene that show insertion of N atom to the structures causes to decreasing aromaticity of them.

  11. Dibenzoheptazethrene isomers with different biradical characters: An exercise of clar's aromatic sextet rule in singlet biradicaloids

    KAUST Repository

    Sun, Zhe

    2013-12-04

    Clar\\'s aromatic sextet rule has been widely used for the prediction of the reactivity and stability of polycyclic aromatic hydrocarbons with a closed-shell electronic configuration. Recent advances in open-shell biradicaloids have shown that the number of aromatic sextet rings plays an important role in determination of their ground states. In order to test the validity of this rule in singlet biradicaloids, the two soluble and stable dibenzoheptazethrene isomers DBHZ1 and DBHZ2 were prepared by different synthetic approaches and isolated in crystalline form. These two molecules have different numbers of aromatic sextet rings in their respective biradical resonance forms and thus are expected to exhibit varied singlet biradical character. This assumption was verified by different experimental methods, including nuclear magnetic resonance (NMR), electron spin resonance (ESR), superconducting quantum interference device (SQUID), steady-state and transient absorption spectroscopy (TA), and X-ray crystallographic analysis, assisted by unrestricted symmetry-broken density functional theory (DFT) calculations. DBHZ2, with more aromatic sextet rings in the biradical form, was demonstrated to possess greater biradical character than DBHZ1; as a result, DBHZ2 exhibited an intense one-photon absorption (OPA) in the near-infrared region (λabs max = 804 nm) and a large two-photon absorption (TPA) cross-section (σ(2)max = 2800 GM at 1600 nm). This investigation together with previous studies indicates that Clar\\'s aromatic sextet rule can be further extended to the singlet biradicaloids to predict their ground states and singlet biradical characters. © 2013 American Chemical Society.

  12. Synthesis of Secondary Aromatic Amides via Pd-Catalyzed Aminocarbonylation of Aryl Halides Using Carbamoylsilane as an Amide Source.

    Science.gov (United States)

    Tong, Wenting; Cao, Pei; Liu, Yanhong; Chen, Jianxin

    2017-11-03

    Using N-methoxymethyl-N-organylcarbamoyl(trimethyl)silanes as secondary amides source, the direct transformation of aryl halides into the corresponding secondary aromatic amides via palladium-catalyzed aminocarbonylation is described. The reactions tolerated a broad range of functional groups on the aryl ring except big steric hindrance of substituent. The types and the relative position of substituents on the aryl ring impact the coupling efficiency.

  13. Computer Simulations Reveal Multiple Functions for Aromatic Residues in Cellulase Enzymes (Fact Sheet)

    Energy Technology Data Exchange (ETDEWEB)

    2012-07-01

    NREL researchers use high-performance computing to demonstrate fundamental roles of aromatic residues in cellulase enzyme tunnels. National Renewable Energy Laboratory (NREL) computer simulations of a key industrial enzyme, the Trichoderma reesei Family 6 cellulase (Cel6A), predict that aromatic residues near the enzyme's active site and at the entrance and exit tunnel perform different functions in substrate binding and catalysis, depending on their location in the enzyme. These results suggest that nature employs aromatic-carbohydrate interactions with a wide variety of binding affinities for diverse functions. Outcomes also suggest that protein engineering strategies in which mutations are made around the binding sites may require tailoring specific to the enzyme family. Cellulase enzymes ubiquitously exhibit tunnels or clefts lined with aromatic residues for processing carbohydrate polymers to monomers, but the molecular-level role of these aromatic residues remains unknown. In silico mutation of the aromatic residues near the catalytic site of Cel6A has little impact on the binding affinity, but simulation suggests that these residues play a major role in the glucopyranose ring distortion necessary for cleaving glycosidic bonds to produce fermentable sugars. Removal of aromatic residues at the entrance and exit of the cellulase tunnel, however, dramatically impacts the binding affinity. This suggests that these residues play a role in acquiring cellulose chains from the cellulose crystal and stabilizing the reaction product, respectively. These results illustrate that the role of aromatic-carbohydrate interactions varies dramatically depending on the position in the enzyme tunnel. As aromatic-carbohydrate interactions are present in all carbohydrate-active enzymes, the results have implications for understanding protein structure-function relationships in carbohydrate metabolism and recognition, carbon turnover in nature, and protein engineering

  14. Detection of chlorinated aromatic compounds

    Science.gov (United States)

    Ekechukwu, A.A.

    1996-02-06

    A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

  15. Stereospecific Winding of Polycyclic Aromatic Hydrocarbons into Trinacria Propellers.

    Science.gov (United States)

    Mosca, Dario; Stopin, Antoine; Wouters, Johan; Demitri, Nicola; Bonifazi, Davide

    2017-11-02

    The stereospecific trimerization of enantiomerically pure binaphthols with hexakis(bromomethyl)benzene gives access in one step to enantiomerically pure molecular propellers, in which three binaphthyl rings are held together with dioxecine rings. X-ray diffraction analysis revealed that three out the six naphthyl moieties are folded in a (EF) 3 -type arrangement held by three intramolecular C-H⋅⋅⋅π interactions. This slips outward the three remaining naphthyl rings in a blade-like fashion, just like in three-folded propeller components. This peculiar conformation shows striking similarity to the mythological Sicilian symbol of Trinacria, from which the name "trinacria propeller" derives. The propeller conformation is also preserved in chlorinated solutions, as displayed by the presence of a peak at 4.7 ppm typical of an aromatic proton resonance engaged in a C-H⋅⋅⋅π interaction. The denaturation of the propeller-like conformation is obtained at high temperature, corresponding to activation energy for the ring inversion of ca. 18.2 kcal mol -1 . Notably, halide-functionalized molecular propellers exposing I-atoms at the leading and trailing edges could be prepared stereo- and regiospecifically by choosing the relevant iodo-bearing BINOL derivative. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. The energetics of tetrahydrocarbazole aromatization over Pd(111): A computational analysis

    Science.gov (United States)

    Crawford, P.; Burch, R.; Hardacre, C.; Hindle, K. T.; Hu, P.; Rooney, D. W.

    2008-03-01

    The carbazole moiety is a component of many important pharmaceuticals including anticancer and anti-HIV agents and is commonly utilized in the production of modern polymeric materials with novel photophysical and electronic properties. Simple carbazoles are generally produced via the aromatization of the respective tetrahydrocarbazole (THCZ). In this work, density functional theory calculations are used to model the reaction pathway of tetrahydrocarbazole aromatization over Pd(111). The geometry of each of the intermediate surface species has been determined and how each structure interacts with the metal surface addressed. The reaction energies and barriers of each of the elementary surface reactions have also been calculated, and a detailed analysis of the energetic trends performed. Our calculations have shown that the surface intermediates remain fixed to the surface via the aromatic ring in a manner similar to that of THCZ. Moreover, the aliphatic ring becomes progressively more planer with the dissociation of each subsequent hydrogen atom. Analysis of the reaction energy profile has revealed that the trend in reaction barriers is determined by the two factors: (i) the strength of the dissociating ring-H bond and (ii) the subsequent gain in energy due to the geometric relaxation of the aliphatic ring.

  17. Nitrogen-Containing Coronenes: Theoretical Evaluation of the Influence of Aza-substitution on their Aromaticity

    Science.gov (United States)

    Pop, Raluca; van Staden, Jacobus; Diudea, Mircea

    2015-03-01

    The aromaticity of coronene derivatives where two C atoms of each outer six-membered ring are replaced by N have been investigated. Three types of substitution, namely 1,2-, 1,3-, and 1,4- are proposed. Computations of the geometric (HOMA index), energetic (HOMO-LUMO gap), and magnetic indices (NICS(0) and NICS(1)) were performed, and the results compared to the ones obtained for the all-carbon species. The results outline that the aza-derivatives have aromatic character comparable to the all-carbon species and an enlarged HOMO-LUMO gap.

  18. Efficient Route to Highly Water-Soluble Aromatic Cyclic Hydroxamic Acid Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, Michael; Raymond, Kenneth N.

    2008-02-06

    2-Hydroxyisoquinolin-1-one (1,2-HOIQO) is a new member of the important class of aromatic cyclic hydroxamic acid ligands which are widely used in metal sequestering applications and metal chelating therapy. The first general approach for the introduction of substituents at the aromatic ring of the chelating moiety is presented. As a useful derivative, the highly water-soluble sulfonic acid has been synthesized by an efficient route that allows general access to 1,2-HOQIO 3-carboxlic acid amides, which are the most relevant for applications.

  19. Structure-activity relationship studies of the aromatic positions in cyclopentapeptide CXCR4 antagonists

    DEFF Research Database (Denmark)

    Mungalpara, Jignesh; Zachariassen, Zack G; Thiele, Stefanie

    2013-01-01

    , and autoimmune diseases. While the structure-activity relationships for Arg(1), Arg(2), and Gly(4) are well established, less is understood about the roles of the aromatic residues 2-Nal(3) and D-Tyr(5). Here we report further structure-activity relationship studies of these two positions, which showed that (i......) the distal aromatic ring of the 2-Nal(3) side chain is required in order to maintain high potency and (ii) replacement of D-Tyr(5) with conformationally constrained analogues results in significantly reduced activity. However, a simplified analogue that contained Gly instead of D-Tyr(5) was only 13-fold less...

  20. Start-Stop Test Procedures on the PEMFC Stack Level

    DEFF Research Database (Denmark)

    Mitzel, Jens; Nygaard, Frederik; Veltzé, Sune

    The test is addressed to investigate the influence on stack durability of a long stop followed by a restart of a stack. Long stop should be defined as a stop in which the anodic compartment is fully filled by air due to stack leakages. In systems, leakage level of the stack is low and time to fil...

  1. Principles for Instructional Stack Development in HyperCard.

    Science.gov (United States)

    McEneaney, John E.

    The purpose of this paper is to provide information about obtaining and using HyperCard stacks that introduce users to principles of stack development. The HyperCard stacks described are available for downloading free of charge from a server at Indiana University South Bend. Specific directions are given for stack use, with advice for beginners. A…

  2. Diagnosis of the σ-, π- and (σ+π-Aromaticity by the Shape of the NICSzz-Scan Curves and Symmetry-Based Selection Rules

    Directory of Open Access Journals (Sweden)

    Constantinos A. Tsipis

    2010-03-01

    Full Text Available The NICSzz-scan curves of aromatic organic, inorganic and “all-metal” molecules in conjunction with symmetry-based selection rules provide efficient diagnostic tools of the σ-, π- and/or double (σ + π-aromaticity. The NICSzz-scan curves of σ-aromatic molecules are symmetric around the z-axis, having half-band widths approximately less than 3 Å with the induced diatropic ring current arising from Tx,y-allowed transitions involving exclusively σ-type molecular orbitals. Broad NICSzz-scan curves (half-band width approximately higher than 3 Å characterize double (σ + π-aromaticity, the chief contribution to the induced diatropic ring current arising from Tx,y-allowed transitions involving both σ- and π-type molecular orbitals. NICSzz-scan curves exhibiting two maxima at a certain distance above and below the molecular plane are typical for (σ + π-aromatics where the π-diatropic ring current overwhelms the σ-type one. In the absence of any contribution from the σ-diatropic ring current, the NICSzz(0 value is close to zero and the molecule exhibits pure π-aromaticity.

  3. Photometric Analysis of the Jovian Ring System and Modeling of Ring Origin and Evolution

    Science.gov (United States)

    Esposito, L. W.

    2003-01-01

    We have successfully completed the work described in our proposal. The work supported by this grant resulted in the publication of the following paper: Brooks, S. M., L. W. Esposito, M. R. Showalter, and H. B. Throop. 2002. The size distribution of Jupiter's main ring from Galileo imaging and spectroscopy. Icarus, in press. This was also the major part of Dr. Shawn Brooks PhD dissertation. Dr. Brooks gave oral presentations on this work at the Lunar and Planetary Conference, the annual meetings of the Division for Planetary Sciences of the American Astronomical Society, the annual meetings of the European Geophysical Society, the international Jupiter Conference in Boulder, the Jupiter after Galileo and Cassini Conference in Lisbon and to the Working Group in Non-Linear Dynamics in Potsdam, Germany. This work was reviewed in: Esposito, L. W. 2002. Planetary rings. Rep. hog. Phys. 65, 1741-1783. Planetary rings. LASP reprint 874. Online at http://stacks.iop.org/RoPP/65/1741. Dr. Esposito gave presentations at schools and over the internet on the results of this work. Dr. Brooks lectured in undergraduate and graduate classes on Jupiter's rings, and on the meaning of his research. In August 2003, Dr. Shawn Brooks received the Phd degree from the University of Colorado in Astrophysical and Planetary Sciences.

  4. On the Laurent polynomial rings

    International Nuclear Information System (INIS)

    Stefanescu, D.

    1985-02-01

    We describe some properties of the Laurent polynomial rings in a finite number of indeterminates over a commutative unitary ring. We study some subrings of the Laurent polynomial rings. We finally obtain two cancellation properties. (author)

  5. EmuStack: An OpenStack-Based DTN Network Emulation Platform (Extended Version

    Directory of Open Access Journals (Sweden)

    Haifeng Li

    2016-01-01

    Full Text Available With the advancement of computing and network virtualization technology, the networking research community shows great interest in network emulation. Compared with network simulation, network emulation can provide more relevant and comprehensive details. In this paper, EmuStack, a large-scale real-time emulation platform for Delay Tolerant Network (DTN, is proposed. EmuStack aims at empowering network emulation to become as simple as network simulation. Based on OpenStack, distributed synchronous emulation modules are developed to enable EmuStack to implement synchronous and dynamic, precise, and real-time network emulation. Meanwhile, the lightweight approach of using Docker container technology and network namespaces allows EmuStack to support a (up to hundreds of nodes large-scale topology with only several physical nodes. In addition, EmuStack integrates the Linux Traffic Control (TC tools with OpenStack for managing and emulating the virtual link characteristics which include variable bandwidth, delay, loss, jitter, reordering, and duplication. Finally, experiences with our initial implementation suggest the ability to run and debug experimental network protocol in real time. EmuStack environment would bring qualitative change in network research works.

  6. Oxidation kinetics of polycyclic aromatic hydrocarbons by permanganate.

    Science.gov (United States)

    Forsey, Steven P; Thomson, Neil R; Barker, James F

    2010-04-01

    The reactivity of permanganate towards polycyclic aromatics hydrocarbons (PAHs) is well known but little kinetic information is available. This study investigated the oxidation kinetics of a selected group of coal tar creosote compounds and alkylbenzenes in water using permanganate, and the correlation between compound reactivity and physical/chemical properties. The oxidation of naphthalene, phenanthrene, chrysene, 1-methylnaphthalene, 2-methylnaphthalene, acenaphthene, fluorene, carbazole isopropylbenzene, ethylbenzene and methylbenzene closely followed pseudo first-order reaction kinetics. The oxidation of pyrene was initially very rapid and did not follow pseudo first-order kinetics at early times. Fluoranthene was only partially oxidized and the oxidation of anthracene was too fast to be captured. Biphenyl, dibenzofuran, benzene and tert-butylbenzene were non-reactive under the study conditions. The oxidation rate was shown to increase with increasing number of polycyclic rings because less energy is required to overcome the aromatic character of a polycyclic ring than is required for benzene. Thus the rate of oxidation increased in the series naphthalenepermanganate. 2010 Elsevier Ltd. All rights reserved.

  7. Forced Air-Breathing PEMFC Stacks

    Directory of Open Access Journals (Sweden)

    K. S. Dhathathreyan

    2012-01-01

    Full Text Available Air-breathing fuel cells have a great potential as power sources for various electronic devices. They differ from conventional fuel cells in which the cells take up oxygen from ambient air by active or passive methods. The air flow occurs through the channels due to concentration and temperature gradient between the cell and the ambient conditions. However developing a stack is very difficult as the individual cell performance may not be uniform. In order to make such a system more realistic, an open-cathode forced air-breathing stacks were developed by making appropriate channel dimensions for the air flow for uniform performance in a stack. At CFCT-ARCI (Centre for Fuel Cell Technology-ARC International we have developed forced air-breathing fuel cell stacks with varying capacity ranging from 50 watts to 1500 watts. The performance of the stack was analysed based on the air flow, humidity, stability, and so forth, The major advantage of the system is the reduced number of bipolar plates and thereby reduction in volume and weight. However, the thermal management is a challenge due to the non-availability of sufficient air flow to remove the heat from the system during continuous operation. These results will be discussed in this paper.

  8. Levitation characteristics of HTS tape stacks

    Energy Technology Data Exchange (ETDEWEB)

    Pokrovskiy, S. V.; Ermolaev, Y. S.; Rudnev, I. A. [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation)

    2015-03-15

    Due to the considerable development of the technology of second generation high-temperature superconductors and a significant improvement in their mechanical and transport properties in the last few years it is possible to use HTS tapes in the magnetic levitation systems. The advantages of tapes on a metal substrate as compared with bulk YBCO material primarily in the strength, and the possibility of optimizing the convenience of manufacturing elements of levitation systems. In the present report presents the results of the magnetic levitation force measurements between the stack of HTS tapes containing of tapes and NdFeB permanent magnet in the FC and ZFC regimes. It was found a non- linear dependence of the levitation force from the height of the array of stack in both modes: linear growth at small thickness gives way to flattening and constant at large number of tapes in the stack. Established that the levitation force of stacks comparable to that of bulk samples. The numerical calculations using finite element method showed that without the screening of the applied field the levitation force of the bulk superconductor and the layered superconductor stack with a critical current of tapes increased by the filling factor is exactly the same, and taking into account the screening force slightly different.

  9. Formation of highly oxygenated organic molecules from aromatic compounds

    Science.gov (United States)

    Molteni, Ugo; Bianchi, Federico; Klein, Felix; El Haddad, Imad; Frege, Carla; Rossi, Michel J.; Dommen, Josef; Baltensperger, Urs

    2018-02-01

    Anthropogenic volatile organic compounds (AVOCs) often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs), such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs) with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene) and ethylbenzene), as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl). We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

  10. Formation of highly oxygenated organic molecules from aromatic compounds

    Directory of Open Access Journals (Sweden)

    U. Molteni

    2018-02-01

    Full Text Available Anthropogenic volatile organic compounds (AVOCs often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs, such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene and ethylbenzene, as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl. We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

  11. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib; Ko, Sangwon; Bao, Zhenan

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier

  12. Heavy ion storage rings

    International Nuclear Information System (INIS)

    Schuch, R.

    1987-01-01

    A brief overview of synchrotron storage rings for heavy ions, which are presently under construction in different accelerator laboratories is given. Ions ranging from protons up to uranium ions at MeV/nucleon energies will be injected into these rings using multiturn injection from the accelerators available or being built in these laboratories. After injection, it is planned to cool the phase space distribution of the ions by merging them with cold electron beams or laser beams, or by using stochastic cooling. Some atomic physics experiments planned for these rings are presented. 35 refs

  13. Faithfully quadratic rings

    CERN Document Server

    Dickmann, M

    2015-01-01

    In this monograph the authors extend the classical algebraic theory of quadratic forms over fields to diagonal quadratic forms with invertible entries over broad classes of commutative, unitary rings where -1 is not a sum of squares and 2 is invertible. They accomplish this by: (1) Extending the classical notion of matrix isometry of forms to a suitable notion of T-isometry, where T is a preorder of the given ring, A, or T = A^2. (2) Introducing in this context three axioms expressing simple properties of (value) representation of elements of the ring by quadratic forms, well-known to hold in

  14. Correction of ring artifacts in X-ray tomographic images

    DEFF Research Database (Denmark)

    Lyckegaard, Allan; Johnson, G.; Tafforeau, P.

    2011-01-01

    Ring artifacts are systematic intensity distortions located on concentric circles in reconstructed tomographic X-ray images. When using X-ray tomography to study for instance low-contrast grain boundaries in metals it is crucial to correct for the ring artifacts in the images as they may have...... the same intensity level as the grain boundaries and thus make it impossible to perform grain segmentation. This paper describes an implementation of a method for correcting the ring artifacts in tomographic X-ray images of simple objects such as metal samples where the object and the background...... are separable. The method is implemented in Matlab, it works with very little user interaction and may run in parallel on a cluster if applied to a whole stack of images. The strength and robustness of the method implemented will be demonstrated on three tomographic X-ray data sets: a mono-phase β...

  15. Progress of MCFC stack technology at Toshiba

    Energy Technology Data Exchange (ETDEWEB)

    Hori, M.; Hayashi, T.; Shimizu, Y. [Toshiba Corp., Tokyo (Japan)

    1996-12-31

    Toshiba is working on the development of MCFC stack technology; improvement of cell characteristics, and establishment of separator technology. For the cell technology, Toshiba has concentrated on both the restraints of NiO cathode dissolution and electrolyte loss from cells, which are the critical issues to extend cell life in MCFC, and great progress has been made. On the other hand, recognizing that the separator is one of key elements in accomplishing reliable and cost-competitive MCFC stacks, Toshiba has been accelerating the technology establishment and verification of an advanced type separator. A sub-scale stack with such a separator was provided for an electric generating test, and has been operated for more than 10,000 hours. This paper presents several topics obtained through the technical activities in the MCFC field at Toshiba.

  16. Development of an Integrated Polymer Microfluidic Stack

    International Nuclear Information System (INIS)

    Datta, Proyag; Hammacher, Jens; Pease, Mark; Gurung, Sitanshu; Goettert, Jost

    2006-01-01

    Microfluidic is a field of considerable interest. While significant research has been carried out to develop microfluidic components, very little has been done to integrate the components into a complete working system. We present a flexible modular system platform that addresses the requirements of a complete microfluidic system. A microfluidic stack system is demonstrated with the layers of the stack being modular for specific functions. The stack and accompanying infrastructure provides an attractive platform for users to transition their design concepts into a working microfluidic system quickly with very little effort. The concept is demonstrated by using the system to carry out a chemilumiscence experiment. Details regarding the fabrication, assembly and experimental methods are presented

  17. Detailed Electrochemical Characterisation of Large SOFC Stacks

    DEFF Research Database (Denmark)

    Mosbæk, Rasmus Rode; Hjelm, Johan; Barfod, R.

    2012-01-01

    application of advanced methods for detailed electrochemical characterisation during operation. An operating stack is subject to steep compositional gradients in the gaseous reactant streams, and significant temperature gradients across each cell and across the stack, which makes it a complex system...... Fuel Cell A/S was characterised in detail using electrochemical impedance spectroscopy. An investigation of the optimal geometrical placement of the current probes and voltage probes was carried out in order to minimise measurement errors caused by stray impedances. Unwanted stray impedances...... are particularly problematic at high frequencies. Stray impedances may be caused by mutual inductance and stray capacitance in the geometrical set-up and do not describe the fuel cell. Three different stack geometries were investigated by electrochemical impedance spectroscopy. Impedance measurements were carried...

  18. High power, repetitive stacked Blumlein pulse generators

    Energy Technology Data Exchange (ETDEWEB)

    Davanloo, F; Borovina, D L; Korioth, J L; Krause, R K; Collins, C B [Univ. of Texas at Dallas, Richardson, TX (United States). Center for Quantum Electronics; Agee, F J [US Air Force Phillips Lab., Kirtland AFB, NM (United States); Kingsley, L E [US Army CECOM, Ft. Monmouth, NJ (United States)

    1997-12-31

    The repetitive stacked Blumlein pulse power generators developed at the University of Texas at Dallas consist of several triaxial Blumleins stacked in series at one end. The lines are charged in parallel and synchronously commuted with a single switch at the other end. In this way, relatively low charging voltages are multiplied to give a high discharge voltage across an arbitrary load. Extensive characterization of these novel pulsers have been performed over the past few years. Results indicate that they are capable of producing high power waveforms with rise times and repetition rates in the range of 0.5-50 ns and 1-300 Hz, respectively, using a conventional thyratron, spark gap, or photoconductive switch. The progress in the development and use of stacked Blumlein pulse generators is reviewed. The technology and the characteristics of these novel pulsers driving flash x-ray diodes are discussed. (author). 4 figs., 5 refs.

  19. Calculation of tritium release from reactor's stack

    International Nuclear Information System (INIS)

    Akhadi, M.

    1996-01-01

    Method for calculation of tritium release from nuclear to environment has been discussed. Part of gas effluent contain tritium in form of HTO vapor released from reactor's stack was sampled using silica-gel. The silica-gel was put in the water to withdraw HTO vapor absorbed by silica-gel. Tritium concentration in the water was measured by liquid scintillation counter of Aloka LSC-703. Tritium concentration in the gas effluent and total release of tritium from reactor's stack during certain interval time were calculated using simple mathematic formula. This method has examined for calculation of tritium release from JRR-3M's stack of JAERI, Japan. From the calculation it was obtained the value of tritium release as much as 4.63 x 10 11 Bq during one month. (author)

  20. Coherent stacking of picosecond laser pulses in a high-Q optical cavity for accelerator applications

    International Nuclear Information System (INIS)

    Androsov, V.P.; Karnaukhov, I.M.; Telegin, Yu.N.

    2007-01-01

    We have performed the harmonic analysis of the steady-state coherent pulse-stacking process in a high-Q Fabry-Perot cavity. The expression for the stacked pulse shape is obtained as a function of both the laser cavity and pulse-stacking cavity parameters. We have also estimated the pulse power gains attainable in the laser-optical system of NESTOR storage ring, which is under development at Kharkov Institute of Physics and Technology. It is shown that high power gains (∼10 4 ) can be, in principle, achieved in a cavity, formed with low-absorption, high reflectivity (R ∼ 0.9999) mirrors, if the laser cavity length will differ exactly by half wavelength from the pulse-stacking cavity length. It implies development of the sophisticated frequency stabilization loop for maintaining the cavity length constant within a sub-nanometer range. At the same time, power gains of ∼10 3 can be obtained with medium reflectivity mirrors (R ∼ 0.999) at considerably lower cost

  1. Single base substitution causing the fragrant phenotype and development of a type-specific marker in aromatic coconut (Cocos nucifera).

    Science.gov (United States)

    Vongvanrungruang, A; Mongkolsiriwatana, C; Boonkaew, T; Sawatdichaikul, O; Srikulnath, K; Peyachoknagul, S

    2016-09-19

    The fragrance gene, betaine aldehyde dehydrogenase 2 (Badh2), has been well studied in many plant species. The objectives of this study were to clone Badh2 and compare the sequences between aromatic and non-aromatic coconuts. The complete coding region was cloned from cDNA of both aromatic and non-aromatic coconuts. The nucleotide sequences were highly homologous to Badh2 genes of other plants. Badh2 consisted of a 1512-bp open reading frame encoding 503 amino acids. A single nucleotide difference between aromatic and non-aromatic coconuts resulted in the conversion of alanine (non-aromatic) to proline (aromatic) at position 442, which was the substrate binding site of BADH2. The ring side chain of proline could destabilize the structure leading to a non-functional enzyme. Badh2 genomic DNA was cloned from exon 1 to 4, and from exon 5 to 15 from the two coconut types, except for intron 4 that was very long. The intron sequences of the two coconut groups were highly homologous. No differences in Badh2 expression were found among the tissues of aromatic coconut or between aromatic and non-aromatic coconuts. The amino acid sequences of BADH2 from coconut and other plants were compared and the genetic relationship was analyzed using MEGA 7.0. The phylogenetic tree reconstructed by the Bayesian information criterion consisted of two distinct groups of monocots and dicots. Among the monocots, coconut (Cocos nucifera) and oil palm (Elaeis guineensis) were the most closely related species. A marker for coconut differentiation was developed from one-base substitution site and could be successfully used.

  2. Converting lignin to aromatics: step by step

    NARCIS (Netherlands)

    Strassberger, Z.I.

    2014-01-01

    Lignin, the glue that holds trees together, is the most abundant natural resource of aromatics. In that respect, it is a far more advanced resource than crude oil. This is because lignin already contains the aromatic functional groups. Thus, catalytic conversion of lignin to high-value aromatics is

  3. On arbitrarily graded rings

    Indian Academy of Sciences (India)

    58

    paper is devoted to the study of arbitrary rings graded through arbitrary sets. .... which recover certain multiplicative relations among the homogeneous components ... instance the case in which the grading set A is an Abelian group, where the ...

  4. The g-2 ring

    CERN Multimedia

    1974-01-01

    The precise measurement of "g-2", the anomalous magnetic moment of the muon, required a special muon storage ring with electrostatic focussing and very accurate knowledge of the magnetic bending field. For more details see under photo 7405430.

  5. Synergistic dual activation catalysis by palladium nanoparticles for epoxide ring opening with phenols.

    Science.gov (United States)

    Seth, Kapileswar; Roy, Sudipta Raha; Pipaliya, Bhavin V; Chakraborti, Asit K

    2013-07-04

    Synergistic dual activation catalysis has been devised for epoxide phenolysis wherein palladium nanoparticles induce electrophilic activation via coordination with the epoxide oxygen followed by nucleophilic activation through anion-π interaction with the aromatic ring of the phenol, and water (reaction medium) also renders assistance through 'epoxide-phenol' dual activation.

  6. [Liesegang's rings resembling helminthiasis].

    Science.gov (United States)

    Zámecník, M; Riedl, I

    1996-12-01

    So called Liesegang's rings are lamellar corpuscles which develop after periodical precipitation of oversaturated solutions in gel medium. They can occur in cysts, closed cavities, inflammatory exudates and necroses. They resemble parasitic eggs, larvae or adult forms. A case of 28-year-old woman is presented with many Liesegang's rings in a stuff from dilated renal calyx. Their preliminary evaluation considered helminths, especially Dioctophyma renale.

  7. Storage ring group summary

    International Nuclear Information System (INIS)

    King, N.M.

    1980-01-01

    The Storage Ring Group set out to identify and pursue salient problems in accelerator physics for heavy ion fusion, divorced from any particular reference design concept. However, it became apparent that some basic parameter framework was required to correlate the different study topics. As the Workshop progressed, ring parameters were modified and updated. Consequently, the accompanying papers on individual topics will be found to refer to slightly varied parameters, according to the stage at which the different problems were tackled

  8. The rings of Uranus

    Science.gov (United States)

    Elliot, J. L.; Dunham, E.; Mink, D.

    1977-01-01

    A description is given of the observation of five brief occultations of the star SAO 158687 which occurred both before and after its occultation by Uranus on March 10, 1977. The events were observed with a three-channel occultation photometer, attached to a 91-cm telescope. The observations indicate that at least five rings encircle the planet Uranus. Possible reasons for the narrowness of the Uranus rings are discussed.

  9. Nonlinearly stacked low noise turbofan stator

    Science.gov (United States)

    Schuster, William B. (Inventor); Nolcheff, Nick A. (Inventor); Gunaraj, John A. (Inventor); Kontos, Karen B. (Inventor); Weir, Donald S. (Inventor)

    2009-01-01

    A nonlinearly stacked low noise turbofan stator vane having a characteristic curve that is characterized by a nonlinear sweep and a nonlinear lean is provided. The stator is in an axial fan or compressor turbomachinery stage that is comprised of a collection of vanes whose highly three-dimensional shape is selected to reduce rotor-stator and rotor-strut interaction noise while maintaining the aerodynamic and mechanical performance of the vane. The nonlinearly stacked low noise turbofan stator vane reduces noise associated with the fan stage of turbomachinery to improve environmental compatibility.

  10. Stack Monitoring System At PUSPATI TRIGA Reactor

    International Nuclear Information System (INIS)

    Zamrul Faizad Omar; Mohd Sabri Minhat; Zareen Khan Abdul Jalil Khan; Ridzuan Abdul Mutalib; Khairulezwan Abdul Manan; Nurfarhana Ayuni Joha; Izhar Abu Hussin

    2014-01-01

    This paper describes the current Stack Monitoring System at PUSPATI TRIGA Reactor (RTP) building. A stack monitoring system is a continuous air monitor placed at the reactor top for monitoring the presence of radioactive gaseous in the effluent air from the RTP building. The system consists of four detectors that provide the reading for background, particulate, Iodine and Noble gas. There is a plan to replace the current system due to frequent fault of the system, thus thorough understanding of the current system is required. Overview of the whole system will be explained in this paper. Some current results would be displayed and moving forward brief plan would be mentioned. (author)

  11. Can Baird's and Clar's Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4nπ- and (4n + 2)π-Rings?

    Science.gov (United States)

    Ayub, Rabia; Bakouri, Ouissam El; Jorner, Kjell; Solà, Miquel; Ottosson, Henrik

    2017-06-16

    Compounds that can be labeled as "aromatic chameleons" are π-conjugated compounds that are able to adjust their π-electron distributions so as to comply with the different rules of aromaticity in different electronic states. We used quantum chemical calculations to explore how the fusion of benzene rings onto aromatic chameleonic units represented by biphenylene, dibenzocyclooctatetraene, and dibenzo[a,e]pentalene modifies the first triplet excited states (T 1 ) of the compounds. Decreases in T 1 energies are observed when going from isomers with linear connectivity of the fused benzene rings to those with cis- or trans-bent connectivities. The T 1 energies decreased down to those of the parent (isolated) 4nπ-electron units. Simultaneously, we observe an increased influence of triplet state aromaticity of the central 4n ring as given by Baird's rule and evidenced by geometric, magnetic, and electron density based aromaticity indices (HOMA, NICS-XY, ACID, and FLU). Because of an influence of triplet state aromaticity in the central 4nπ-electron units, the most stabilized compounds retain the triplet excitation in Baird π-quartets or octets, enabling the outer benzene rings to adapt closed-shell singlet Clar π-sextet character. Interestingly, the T 1 energies go down as the total number of aromatic cycles within a molecule in the T 1 state increases.

  12. Comparison of emissions and performance between saturated cyclic oxygenates and aromatics in a heavy-duty diesel engine

    NARCIS (Netherlands)

    Zhou, L.; Boot, M.D.; Johansson, B.H.

    2013-01-01

    Emissions and fuel economy are evaluated for two types of biofuels, namely 2-phenyl ethanol and cyclohexaneethanol. Both are derived from lignin, a form of lignocellulosic biomass. The former and latter oxygenates have an aromatic and aliphatic (i.e. saturated) ring structure, respectively. Two

  13. Impact of aromaticity and cetane number on the soot-NOx trade-off in conventional and low temperature combustion

    NARCIS (Netherlands)

    Reijnders, J.J.E.; Boot, M.D.; de Goey, L.P.H.

    2016-01-01

    This paper investigates whether or not two persistent diesel dogmas, namely “the higher the cetane number (CN) the better” and “the lower the aromaticity the better”, still ring true when a compression ignition engine is operated in the low temperature combustion (LTC) regime. The transition from

  14. Effects of heating on composition, degree of darkness, and stacking nanostructure of soil humic acids

    Energy Technology Data Exchange (ETDEWEB)

    Katsumi, Naoya, E-mail: n-katsu@ishikawa-pu.ac.jp; Yonebayashi, Koyo; Okazaki, Masanori

    2016-01-15

    Wildfires and prescribed burning can affect both the quality and the quantity of organic matter in soils. In this study, we investigated qualitative and quantitative changes of soil humic substances in two different soils (an Entisol from a paddy field and an Inceptisol from a cedar forest) under several controlled heating conditions. Soil samples were heated in a muffle furnace at 200, 250, or 300 °C for 1, 3, 5, or 12 h. The humic acid and fulvic acid contents of the soil samples prior to and after heating were determined. The degree of darkness, elemental composition, carbon and nitrogen stable isotope ratios, {sup 13}C nuclear magnetic resonance spectra, and X-ray diffraction patterns of humic acids extracted from the soils before and after heating were measured. The proportion of humic acids in total carbon decreased with increasing heating time at high temperature (300 °C), but increased with increasing heating time at ≤ 250 °C. The degree of darkness of the humic acids increased with increasing heating time and temperature. During darkening, the H/C atomic ratios, the proportion of aromatic C, and the carbon and nitrogen stable isotope ratios increased, whereas the proportions of alkyl C and O-alkyl C decreased. X-ray diffraction analysis verified that a stacking nanostructure developed by heating. Changes in the chemical structure of the humic acids from the heated soils depended on the type of soil. The major structural components of the humic acids from the heated Entisol were aromatic C and carboxylic C, whereas aliphatic C, aromatic C, and carboxylic C structural components were found in the humic acids from the heated Inceptisol. These results suggest that the heat-induced changes in the chemical structure of the humic acids depended on the source plant. - Highlights: • Darkness of humic acids increased with increasing heating time and temperature. • Aromatic carbon content increased during darkening. • Carbon and nitrogen stable isotope

  15. Ordered quantum-ring chains grown on a quantum-dot superlattice template

    International Nuclear Information System (INIS)

    Wu Jiang; Wang, Zhiming M.; Holmes, Kyland; Marega, Euclydes; Mazur, Yuriy I.; Salamo, Gregory J.

    2012-01-01

    One-dimensional ordered quantum-ring chains are fabricated on a quantum-dot superlattice template by molecular beam epitaxy. The quantum-dot superlattice template is prepared by stacking multiple quantum-dot layers and quantum-ring chains are formed by partially capping quantum dots. Partially capping InAs quantum dots with a thin layer of GaAs introduces a morphological change from quantum dots to quantum rings. The lateral ordering is introduced by engineering the strain field of a multi-layer InGaAs quantum-dot superlattice.

  16. Evidence for a strong sulfur-aromatic interaction derived from crystallographic data.

    Science.gov (United States)

    Zauhar, R J; Colbert, C L; Morgan, R S; Welsh, W J

    2000-03-01

    We have uncovered new evidence for a significant interaction between divalent sulfur atoms and aromatic rings. Our study involves a statistical analysis of interatomic distances and other geometric descriptors derived from entries in the Cambridge Crystallographic Database (F. H. Allen and O. Kennard, Chem. Design Auto. News, 1993, Vol. 8, pp. 1 and 31-37). A set of descriptors was defined sufficient in number and type so as to elucidate completely the preferred geometry of interaction between six-membered aromatic carbon rings and divalent sulfurs for all crystal structures of nonmetal-bearing organic compounds present in the database. In order to test statistical significance, analogous probability distributions for the interaction of the moiety X-CH(2)-X with aromatic rings were computed, and taken a priori to correspond to the null hypothesis of no significant interaction. Tests of significance were carried our pairwise between probability distributions of sulfur-aromatic interaction descriptors and their CH(2)-aromatic analogues using the Smirnov-Kolmogorov nonparametric test (W. W. Daniel, Applied Nonparametric Statistics, Houghton-Mifflin: Boston, New York, 1978, pp. 276-286), and in all cases significance at the 99% confidence level or better was observed. Local maxima of the probability distributions were used to define a preferred geometry of interaction between the divalent sulfur moiety and the aromatic ring. Molecular mechanics studies were performed in an effort to better understand the physical basis of the interaction. This study confirms observations based on statistics of interaction of amino acids in protein crystal structures (R. S. Morgan, C. E. Tatsch, R. H. Gushard, J. M. McAdon, and P. K. Warme, International Journal of Peptide Protein Research, 1978, Vol. 11, pp. 209-217; R. S. Morgan and J. M. McAdon, International Journal of Peptide Protein Research, 1980, Vol. 15, pp. 177-180; K. S. C. Reid, P. F. Lindley, and J. M. Thornton, FEBS

  17. An assessment of air sampling location for stack monitoring in nuclear facility

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jung Bok [University of Science and Technology, Daejeon (Korea, Republic of); Kim, Tae Hyoung; Lee, Jong Il; Kim, Bong Hwan [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2017-06-15

    In this study, air sampling locations in the stack of the Advanced Fuel Science Building (AFSB) at the Korea Atomic Energy Research Institute (KAERI) were assessed according to the ANSI/HPS N13.1-1999 specification. The velocity profile, flow angle and 10 μm aerosol particle profile at the cross-section as functions of stack height L and stack diameter D (L/D) were assessed according to the sampling location criteria using COMSOL. The criteria for the velocity profile were found to be met at 5 L/D or more for the height, and the criteria for the average flow angle were met at all locations through this assessment. The criteria for the particle profile were met at 5 L/D and 9 L/D. However, the particle profile at the cross-section of each sampling location was found to be non-uniform. In order to establish uniformity of the particle profile, a static mixer and a perimeter ring were modeled, after which the degrees of effectiveness of these components were compared. Modeling using the static mixer indicated that the sampling locations that met the criteria for the particle profile were 5-10 L/D. When modeling using the perimeter ring, the sampling locations that met the criteria for particle profile were 5 L/D and 7-10 L/D. The criteria for the velocity profile and the average flow angle were also met at the sampling locations that met the criteria for the particle profile. The methodologies used in this study can also be applied during assessments of air sampling locations when monitoring stacks at new nuclear facilities as well as existing nuclear facilities.

  18. POLYCYCLIC AROMATIC HYDROCARBONS WITH ARMCHAIR EDGES AND THE 12.7 μm BAND

    International Nuclear Information System (INIS)

    Candian, A.; Tielens, A. G. G. M.; Sarre, P. J.

    2014-01-01

    In this Letter, we report the results of density functional theory calculations on medium-sized neutral polycyclic aromatic hydrocarbon (PAH) molecules with armchair edges. These PAH molecules possess strong C-H stretching and bending modes around 3 μm and in the fingerprint region (10-15 μm), and also strong ring deformation modes around 12.7 μm. Perusal of the entries in the NASA Ames PAHs Database shows that ring deformation modes of PAHs are common, although generally weak. Therefore, we propose that armchair PAHs with N C > 65 are responsible for the 12.7 μm aromatic infrared band in H II regions and discuss the astrophysical implications in the context of the PAH life cycle

  19. Bacteria from wheat and cucurbit plant roots metabolize PAHs and aromatic root exudates: Implications for rhizodegradation.

    Science.gov (United States)

    Ely, Cairn S; Smets, Barth F

    2017-10-03

    The chemical interaction between plants and bacteria in the root zone can lead to soil decontamination. Bacteria that degrade polycyclic aromatic hydrocarbons (PAHs) have been isolated from the rhizospheres of plant species with varied biological traits; however, it is not known what phytochemicals promote contaminant degradation. One monocot and two dicotyledon plants were grown in PAH-contaminated soil from a manufactured gas plant (MGP) site. A phytotoxicity assay confirmed greater soil decontamination in rhizospheres when compared to bulk soil controls. Bacteria were isolated from plant roots (rhizobacteria) and selected for growth on anthracene and chrysene on PAH-amended plates. Rhizosphere isolates metabolized 3- and 4-ring PAHs and PAH catabolic intermediates in liquid incubations. Aromatic root exudate compounds, namely flavonoids and simple phenols, were also substrates for isolated rhizobacteria. In particular, the phenolic compounds-morin, caffeic acid, and protocatechuic acid-appear to be linked to bacterial degradation of 3- and 4-ring PAHs in the rhizosphere.

  20. Some Aspects of Ring Theory

    CERN Document Server

    Herstein, IN

    2011-01-01

    S. Amitsur: Associative rings with identities.- I.N. Herstein: Topics in ring theory.- N. Jacobson: Representation theory of Jordan algebras.- I. Kaplansky: The theory of homological dimension.- D. Buchsbaum: Complexes in local ring theory.- P.H. Cohn: Two topics in ring theory.- A.W. Goldie: Non-commutative localisation.

  1. Polycyclic Aromatic Hydrocarbons Adsorption onto Graphene: A DFT and AIMD Study

    Directory of Open Access Journals (Sweden)

    Bing Li

    2018-05-01

    Full Text Available Density functional theory (DFT calculations and ab-initio molecular dynamics (AIMD simulations were performed to understand graphene and its interaction with polycyclic aromatic hydrocarbons (PAHs molecules. The adsorption energy was predicted to increase with the number of aromatic rings in the adsorbates, and linearly correlate with the hydrophobicity of PAHs. Additionally, the analysis of the electronic properties showed that PAHs behave as mild n-dopants and introduce electrons into graphene; but do not remarkably modify the band gap of graphene, indicating that the interaction between PAHs and graphene is physisorption. We have also discovered highly sensitive strain dependence on the adsorption strength of PAHs onto graphene surface. The AIMD simulation indicated that a sensitive and fast adsorption process of PAHs can be achieved by choosing graphene as the adsorbent. These findings are anticipated to shed light on the future development of graphene-based materials with potential applications in the capture and removal of persistent aromatic pollutants.

  2. Stacked spheres and lower bound theorem

    Indian Academy of Sciences (India)

    BASUDEB DATTA

    2011-11-20

    Nov 20, 2011 ... Preliminaries. Lower bound theorem. On going work. Definitions. An n-simplex is a convex hull of n + 1 affinely independent points. (called vertices) in some Euclidean space R. N . Stacked spheres and lower bound theorem. Basudeb Datta. Indian Institute of Science. 2 / 27 ...

  3. Contemporary sample stacking in analytical electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Šlampová, Andrea; Malá, Zdeňka; Pantůčková, Pavla; Gebauer, Petr; Boček, Petr

    2013-01-01

    Roč. 34, č. 1 (2013), s. 3-18 ISSN 0173-0835 R&D Projects: GA ČR GAP206/10/1219 Institutional support: RVO:68081715 Keywords : biological samples * stacking * trace analysis * zone electrophoresis Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.161, year: 2013

  4. SRS reactor stack plume marking tests

    International Nuclear Information System (INIS)

    Petry, S.F.

    1992-03-01

    Tests performed in 105-K in 1987 and 1988 demonstrated that the stack plume can successfully be made visible (i.e., marked) by introducing smoke into the stack breech. The ultimate objective of these tests is to provide a means during an emergency evacuation so that an evacuee can readily identify the stack plume and evacuate in the opposite direction, thus minimizing the potential of severe radiation exposure. The EPA has also requested DOE to arrange for more tests to settle a technical question involving the correct calculation of stack downwash. New test canisters were received in 1988 designed to produce more smoke per unit time; however, these canisters have not been evaluated, because normal ventilation conditions have not been reestablished in K Area. Meanwhile, both the authorization and procedure to conduct the tests have expired. The tests can be performed during normal reactor operation. It is recommended that appropriate authorization and procedure approval be obtained to resume testing after K Area restart

  5. Scaling the CERN OpenStack cloud

    Science.gov (United States)

    Bell, T.; Bompastor, B.; Bukowiec, S.; Castro Leon, J.; Denis, M. K.; van Eldik, J.; Fermin Lobo, M.; Fernandez Alvarez, L.; Fernandez Rodriguez, D.; Marino, A.; Moreira, B.; Noel, B.; Oulevey, T.; Takase, W.; Wiebalck, A.; Zilli, S.

    2015-12-01

    CERN has been running a production OpenStack cloud since July 2013 to support physics computing and infrastructure services for the site. In the past year, CERN Cloud Infrastructure has seen a constant increase in nodes, virtual machines, users and projects. This paper will present what has been done in order to make the CERN cloud infrastructure scale out.

  6. Stacking non-BPS D-branes

    International Nuclear Information System (INIS)

    Alberghi, Gian Luigi; Caceres, Elena; Goldstein, Kevin; Lowe, David A. . lowe@het.brown.edu

    2001-08-01

    We present a candidate supergravity solution for a stacked configuration of stable non-BPS D-branes in Type II string theory compactified on T 4 /Z 2 . This gives a supergravity description of nonabelian tachyon condensation on the brane woldvolume. (author)

  7. Trace interpolation by slant-stack migration

    International Nuclear Information System (INIS)

    Novotny, M.

    1990-01-01

    The slant-stack migration formula based on the radon transform is studied with respect to the depth steep Δz of wavefield extrapolation. It can be viewed as a generalized trace-interpolation procedure including wave extrapolation with an arbitrary step Δz. For Δz > 0 the formula yields the familiar plane-wave decomposition, while for Δz > 0 it provides a robust tool for migration transformation of spatially under sampled wavefields. Using the stationary phase method, it is shown that the slant-stack migration formula degenerates into the Rayleigh-Sommerfeld integral in the far-field approximation. Consequently, even a narrow slant-stack gather applied before the diffraction stack can significantly improve the representation of noisy data in the wavefield extrapolation process. The theory is applied to synthetic and field data to perform trace interpolation and dip reject filtration. The data examples presented prove that the radon interpolator works well in the dip range, including waves with mutual stepouts smaller than half the dominant period

  8. Contemporary sample stacking in analytical electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Malá, Zdeňka; Šlampová, Andrea; Křivánková, Ludmila; Gebauer, Petr; Boček, Petr

    2015-01-01

    Roč. 36, č. 1 (2015), s. 15-35 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA13-05762S Institutional support: RVO:68081715 Keywords : biological samples * stacking * trace analysis * zone electrophoresis Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.482, year: 2015

  9. 40 CFR 61.53 - Stack sampling.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Stack sampling. 61.53 Section 61.53 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL... sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under...

  10. 40 CFR 61.33 - Stack sampling.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Stack sampling. 61.33 Section 61.33 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL... sampling. (a) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator...

  11. OpenStack cloud computing cookbook

    CERN Document Server

    Jackson, Kevin

    2013-01-01

    A Cookbook full of practical and applicable recipes that will enable you to use the full capabilities of OpenStack like never before.This book is aimed at system administrators and technical architects moving from a virtualized environment to cloud environments with familiarity of cloud computing platforms. Knowledge of virtualization and managing linux environments is expected.

  12. Toward advising SME's on stacked funding

    NARCIS (Netherlands)

    Rauwerda, Kirsten; van Teeffelen, Lex; de Graaf, Frank Jan

    2017-01-01

    This paper addresses new funding issues faced by SMEs. Over a period of nine months, the authors conducted a preliminary study into the problems surrounding stacked funding faced by SMEs and their financial advisers. The study includes a short literature review, the outcomes of three round table

  13. Photoswitchable Intramolecular H-Stacking of Perylenebisimide

    NARCIS (Netherlands)

    Wang, Jiaobing; Kulago, Artem; Browne, Wesley R.; Feringa, Ben L.

    2010-01-01

    Dynamic control over the formation of H- or J-type aggregates of chromophores is of fundamental importance for developing responsive organic optoelectronic materials. In this study, the first example of photoswitching between a nonstacked and an intramolecularly H-stacked arrangement of

  14. Optoelectronic interconnects for 3D wafer stacks

    Science.gov (United States)

    Ludwig, David; Carson, John C.; Lome, Louis S.

    1996-01-01

    Wafer and chip stacking are envisioned as means of providing increased processing power within the small confines of a three-dimensional structure. Optoelectronic devices can play an important role in these dense 3-D processing electronic packages in two ways. In pure electronic processing, optoelectronics can provide a method for increasing the number of input/output communication channels within the layers of the 3-D chip stack. Non-free space communication links allow the density of highly parallel input/output ports to increase dramatically over typical edge bus connections. In hybrid processors, where electronics and optics play a role in defining the computational algorithm, free space communication links are typically utilized for, among other reasons, the increased network link complexity which can be achieved. Free space optical interconnections provide bandwidths and interconnection complexity unobtainable in pure electrical interconnections. Stacked 3-D architectures can provide the electronics real estate and structure to deal with the increased bandwidth and global information provided by free space optical communications. This paper will provide definitions and examples of 3-D stacked architectures in optoelectronics processors. The benefits and issues of these technologies will be discussed.

  15. OpenStack Object Storage (Swift) essentials

    CERN Document Server

    Kapadia, Amar; Varma, Sreedhar

    2015-01-01

    If you are an IT administrator and you want to enter the world of cloud storage using OpenStack Swift, then this book is ideal for you. Basic knowledge of Linux and server technology is beneficial to get the most out of the book.

  16. Ring correlations in random networks.

    Science.gov (United States)

    Sadjadi, Mahdi; Thorpe, M F

    2016-12-01

    We examine the correlations between rings in random network glasses in two dimensions as a function of their separation. Initially, we use the topological separation (measured by the number of intervening rings), but this leads to pseudo-long-range correlations due to a lack of topological charge neutrality in the shells surrounding a central ring. This effect is associated with the noncircular nature of the shells. It is, therefore, necessary to use the geometrical distance between ring centers. Hence we find a generalization of the Aboav-Weaire law out to larger distances, with the correlations between rings decaying away when two rings are more than about three rings apart.

  17. Porphyrin-based magnetic nanocomposites for efficient extraction of polycyclic aromatic hydrocarbons from water samples.

    Science.gov (United States)

    Yu, Jing; Zhu, Shukui; Pang, Liling; Chen, Pin; Zhu, Gang-Tian

    2018-03-09

    Stable and reusable porphyrin-based magnetic nanocomposites were successfully synthesized for efficient extraction of polycyclic aromatic hydrocarbons (PAHs) from environmental water samples. Meso-Tetra (4-carboxyphenyl) porphyrin (TCPP), a kind of porphyrin, can connect the copolymer after amidation and was linked to Fe 3 O 4 @SiO 2 magnetic nanospheres via cross-coupling. Several characteristic techniques such as field emission scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Fourier transform infrared spectrometry, vibrating sample magnetometry and a tensiometer were used to characterize the as-synthesized materials. The structure of the copolymer was similar to that of graphene, possessing sp 2 -conjugated carbon rings, but with an appropriate amount of delocalized π-electrons giving rise to the higher extraction efficiency for heavy PAHs without sacrificing the performance in the extraction of light PAHs. Six extraction parameters, including the TCPP:Fe 3 O 4 @SiO 2 (m:m) ratio, the amount of adsorbents, the type of desorption solvent, the desorption solvent volume, the adsorption time and the desorption time, were investigated. After the optimization of extraction conditions, a comparison of the extraction efficiency of Fe 3 O 4 @SiO 2 -TCPP and Fe 3 O 4 @SiO 2 @GO was carried out. The adsorption mechanism of TCPP to PAHs was studied by first-principles density functional theory (DFT) calculations. Combining experimental and calculated results, it was shown that the π-π stacking interaction was the main adsorption mechanism of TCPP for PAHs and that the amount of delocalized π-electrons plays an important role in the elution process. Under the optimal conditions, Fe 3 O 4 @SiO 2 -porphyrin showed good precision in intra-day (<8.9%) and inter-day (<13.0%) detection, low method detection limits (2-10 ng L -1 ), and wide linearity (10-10000 ng L -1 ). The method was applied to simultaneous analysis of 15 PAHs with

  18. Mapping Ring Particle Cooling across Saturn's Rings with Cassini CIRS

    Science.gov (United States)

    Brooks, Shawn M.; Spilker, L. J.; Edgington, S. G.; Pilorz, S. H.; Deau, E.

    2010-10-01

    Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and quick temperature responses are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid, coherent particles can be expected to have higher thermal inertias (Ferrari et al. 2005). Cassini's Composite Infrared Spectrometer has recorded millions of spectra of Saturn's rings since its arrival at Saturn in 2004 (personal communication, M. Segura). CIRS records far infrared radiation between 10 and 600 cm-1 (16.7 and 1000 µm) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn's rings peaks in this wavelength range. FP1 spectra can be used to infer ring temperatures. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The thermal budget of the rings is dominated by the solar radiation absorbed by its constituent particles. When ring particles enter Saturn's shadow this source of energy is abruptly cut off. As a result, ring particles cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

  19. Matrix isolation study of the interaction between water and the aromatic π-electron system

    International Nuclear Information System (INIS)

    Engdahl, A.; Nelander, B.

    1987-01-01

    The interaction of water (H 2 O, D 2 O, HDO) with toluene, the xylenes, pseudocumene, mesitylene, pentamethylbenzene, and hexamethylbenzene in argon matrices has been studied with infrared spectroscopy. Interaction energy estimates are given. The shapes of the observed absorption bands suggest that water executes a complicated motion relative to the ring plane of the aromatic hydrocarbon. The infrared spectrum of the benzene-water complex has been recorded as a function of temperature in argon, krypton, and nitrogen matrices

  20. The Rings of Saturn

    Science.gov (United States)

    Cuzzi, J. N.; Filacchione, G.; Marouf, E. A.

    2018-03-01

    One could become an expert on Saturn's iconic rings pretty easily in the early 1970s, as very little was known about them beyond the distinction between the A, B, and C rings, and the Cassini Division or "gap" between rings A and B (Alexander, 1962; Bobrov, 1970). Water ice was discovered spectroscopically on the ring particle surfaces, and radar and microwave emission observations proved that the particles must be centimeters to meters in size, consisting primarily, not just superficially, of water ice (Pollack, 1975). While a 2:1 orbital resonance with Mimas had long been suspected of having something to do with the Cassini Division, computers of the time were unable to model the subtle dynamical effects that we now know to dominate ring structure. This innocent state of affairs was exploded by the Voyager 1 and 2 encounters in 1980 and 1981. Spectacular images revealed filigree structure and odd regional color variations, and exquisitely detailed radial profiles of fluctuating particle abundance were obtained from the first stellar and radio occultations, having resolution almost at the scale of single particles. Voyager-era understanding was reviewed by Cuzzi et al. (1984) and Esposito et al. (1984). While the Voyager data kept ring scientists busy for decades, planning which led to the monumentally successful NASA-ESA-ASI Cassini mission, which arrived in 2004, had been under way even before Voyager got to Saturn. A review of pre-Cassini knowledge of Saturn's Rings can be found in Orton et al. (2009). This chapter will build on recent topical and process-specific reviews that treat the gamut of ring phenomena and its underlying physics in considerable detail (Colwell et al., 2009; Cuzzi et al., 2009; Horányi et al., 2009; Schmidt et al., 2009; Esposito, 2010; Tiscareno, 2013b; Esposito, 2014). We will follow and extend the general organization of Cuzzi et al. (2010), the most recent general discussion of Saturn's rings. For brevity and the benefit of the

  1. Participation of oxygen and carbon in formation of oxidation-induced stacking faults in monocrystalline silicon

    Directory of Open Access Journals (Sweden)

    Иван Федорович Червоный

    2015-11-01

    Full Text Available It is experimentally established, that density of oxidation-induced stacking faults (OISF in the boron doped monocrystalline silicon plates, that above, than it is more relation of oxygen atoms concentration to carbon atoms concentration in them.On research results of geometry of OISF rings in the different sections of single-crystal geometry of areas is reconstructed with their different closeness. At adjustment of the growing modes of single-crystals of silicon the increase of output of suitable product is observed

  2. Energetics of aminomethylpyrimidines: An examination of the aromaticity of nitrogen heteromonocyclic derivatives

    International Nuclear Information System (INIS)

    Galvão, Tiago L.P.; Ribeiro da Silva, Maria D.M.C.; Ribeiro da Silva, Manuel A.V.

    2013-01-01

    Highlights: • Vapour pressure study of three aminomethylpyrimidines by Knudsen effusion technique. • Enthalpies of formation of three aminomethylpyrimidines by combustion calorimetry. • NICS, HOMA, Shannon analysis used as aromaticity criteria for three aminomethylpyrimidines. • QTAIMs properties, HOMO–LUMO gap, hardness, Kekulé mode and UV–Vis spectra are analyzed. • Benzene, pyridine and pyrimidine are taken as references for the aromaticity analysis. -- Abstract: The standard (p o = 0.1 MPa) molar enthalpies of formation, in the gaseous phase, at the reference temperature of 298.15 K, of 2-amino-4-methylpyrimidine ((98.1 ± 1.6) kJ · mol −1 ), 2-amino-4,6-dimethylpyrimidine ((55.9 ± 1.8) kJ · mol −1 ) and 4-amino-2,6-dimethylpyrimidine ((60.1 ± 1.8) kJ · mol −1 ) were calculated from the enthalpies of formation, in the crystalline phase, and enthalpies of sublimation, derived, respectively, from static bomb combustion calorimetry and Knudsen effusion technique results. In order to quantify the resonance effects arising from the substitution on the pyrimidine ring, hypothetical isodesmic reactions were used to analyze the experimental gaseous-phase enthalpies of formation. The aromaticity of benzene, pyridine, pyrimidine and the substituted pyrimidines was investigated in terms of magnetic (NICS), geometric (HOMA), electronic (Shannon aromaticity, QTAIMs ring critical point properties and HOMO–LUMO gap), reactive (hardness), vibrational (Kekulé mode) and spectroscopic (UV–Vis) properties

  3. Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses

    Science.gov (United States)

    Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi

    Our recent theoretical studies on laser-induced π-electron rotations in chiral aromatic molecules are reviewed. π electrons of a chiral aromatic molecule can be rotated along its aromatic ring by a nonhelical, linearly polarized laser pulse. An ansa aromatic molecule with a six-membered ring, 2,5-dichloro[n](3,6) pyrazinophane, which belongs to a planar-chiral molecule group, and its simplified molecule 2,5-dichloropyrazine are taken as model molecules. Electron wavepacket simulations in the frozen-molecular-vibration approximation show that the initial direction of π-electron rotation depends on the polarization direction of a linearly polarized laser pulse applied. Consecutive unidirectional rotation can be achieved by applying a sequence of linearly polarized pump and dump pulses to prevent reverse rotation. Optimal control simulations of π-electron rotation show that another controlling factor for unidirectional rotation is the relative optical phase between the different frequency components of an incident pulse in addition to photon polarization direction. Effects of nonadiabatic coupling between π-electron rotation and molecular vibrations are also presented, where the constraints of the frozen approximation are removed. The angular momentum gradually decays mainly owing to nonadiabatic coupling, while the vibrational amplitudes greatly depend on their rotation direction. This suggests that the direction of π-electron rotation on an attosecond timescale can be identified by detecting femtosecond molecular vibrations.

  4. BERKELEY: ALS ring

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1993-06-15

    Everybody at Lawrence Berkeley Laboratory's Center for Beam Physics is pleased with the rapid progress in commissioning LBL's Advanced Light Source (ALS) electron storage ring, the foundation for this third-generation synchrotron radiation facility. Designed for a maximum current of 400 mA, the ALS storage ring reached 407 mA just 24 days after storing the first beam on 16 March. ALS construction as a US Department of Energy (DOE) national user facility to provide high-brightness vacuum ultra-violet and soft x-ray radiation began in October 1987. One technical requirement marking project completion was to accumulate a 50-mA current in the storage ring. The ALS passed this milestone on 24 March, a week ahead of the official deadline. Once injected, the electron beam decays quasi-exponentially primarily because of interactions with residual gas molecules in the storage-ring vacuum chamber. Eventually, when the pressure in the vacuum chamber with beam decreases toward the expected operating level of 1 nano Torr, it will only be necessary to refill the storage ring at intervals of four to eight hours. At present the vacuum is improving rapidly as surfaces are irradiated (scrubbed) by the synchrotron radiation itself. At 100 mA, beam lifetime was about one hour (9 April)

  5. Compressible Vortex Ring

    Science.gov (United States)

    Elavarasan, Ramasamy; Arakeri, Jayawant; Krothapalli, Anjaneyulu

    1999-11-01

    The interaction of a high-speed vortex ring with a shock wave is one of the fundamental issues as it is a source of sound in supersonic jets. The complex flow field induced by the vortex alters the propagation of the shock wave greatly. In order to understand the process, a compressible vortex ring is studied in detail using Particle Image Velocimetry (PIV) and shadowgraphic techniques. The high-speed vortex ring is generated from a shock tube and the shock wave, which precedes the vortex, is reflected back by a plate and made to interact with the vortex. The shadowgraph images indicate that the reflected shock front is influenced by the non-uniform flow induced by the vortex and is decelerated while passing through the vortex. It appears that after the interaction the shock is "split" into two. The PIV measurements provided clear picture about the evolution of the vortex at different time interval. The centerline velocity traces show the maximum velocity to be around 350 m/s. The velocity field, unlike in incompressible rings, contains contributions from both the shock and the vortex ring. The velocity distribution across the vortex core, core diameter and circulation are also calculated from the PIV data.

  6. BERKELEY: ALS ring

    International Nuclear Information System (INIS)

    Anon.

    1993-01-01

    Everybody at Lawrence Berkeley Laboratory's Center for Beam Physics is pleased with the rapid progress in commissioning LBL's Advanced Light Source (ALS) electron storage ring, the foundation for this third-generation synchrotron radiation facility. Designed for a maximum current of 400 mA, the ALS storage ring reached 407 mA just 24 days after storing the first beam on 16 March. ALS construction as a US Department of Energy (DOE) national user facility to provide high-brightness vacuum ultra-violet and soft x-ray radiation began in October 1987. One technical requirement marking project completion was to accumulate a 50-mA current in the storage ring. The ALS passed this milestone on 24 March, a week ahead of the official deadline. Once injected, the electron beam decays quasi-exponentially primarily because of interactions with residual gas molecules in the storage-ring vacuum chamber. Eventually, when the pressure in the vacuum chamber with beam decreases toward the expected operating level of 1 nano Torr, it will only be necessary to refill the storage ring at intervals of four to eight hours. At present the vacuum is improving rapidly as surfaces are irradiated (scrubbed) by the synchrotron radiation itself. At 100 mA, beam lifetime was about one hour (9 April)

  7. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  8. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  9. Environmental forensic principals for sources allocation of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    O'Sullivan, G.; Martin, E.; Sandau, C.D.

    2008-01-01

    Polycyclic aromatic hydrocarbons (PAH) are organic compounds which include only carbon and hydrogen with a fused ring structure containing at least two six-sided benzene rings but may also contain additional fused rings that are not six-sided. The environmental forensic principals for sources allocation of PAHs were examined in this presentation. Specifically, the presentation addressed the structure and physiochemical properties of PAHs; sources and sinks; fate and behaviour; analytical techniques; conventional source identification techniques; and toxic equivalent fingerprinting. It presented a case study where residents had been allegedly exposed to dioxins, PAHs and metals released from a railroad tie treatment plant. The classification of PAHs is governed by thermodynamic properties such as biogenic, petrogenic, and pyrogenic properties. A number of techniques were completed, including chemical fingerprinting; molecular diagnostic ratios; cluster analysis; principal component analysis; and TEF fingerprinting. These techniques have shown that suspected impacted sites do not all share similar PAH signatures indicating the potential for various sources. Several sites shared similar signatures to background locations. tabs., figs

  10. The direct aromatization of methane

    Energy Technology Data Exchange (ETDEWEB)

    Marcelin, G.; Oukaci, R.; Migone, R.A.; Kazi, A.M. [Altamira Instruments, Pittsburgh, PA (United States)

    1995-12-31

    The thermal decomposition of methane shows significant potential as a process for the production of higher unsaturated and aromatic hydrocarbons when the extent of the reaction is limited. Thermodynamic calculations have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that cooling the product and reacting gases as the reaction proceeds can significantly reduce or eliminate the formation of solid carbon and heavier (C{sub 10+}) materials. Much work remains to be done in optimizing the quenching process and this is one of the goals of this program. Means to lower the temperature of the reaction are being studied as this result in a more feasible commercial process due to savings realized in energy and material of construction costs. The use of free-radical generators and catalysts will be investigated as a means of lowering the reaction temperature thus allowing faster quenching. It is highly likely that such studies will lead to a successful direct methane to higher hydrocarbon process.

  11. Bicyclic Baird-type aromaticity

    Science.gov (United States)

    Cha, Won-Young; Kim, Taeyeon; Ghosh, Arindam; Zhang, Zhan; Ke, Xian-Sheng; Ali, Rashid; Lynch, Vincent M.; Jung, Jieun; Kim, Woojae; Lee, Sangsu; Fukuzumi, Shunichi; Park, Jung Su; Sessler, Jonathan L.; Chandrashekar, Tavarekere K.; Kim, Dongho

    2017-12-01

    Classic formulations of aromaticity have long been associated with topologically planar conjugated macrocyclic systems. The theoretical possibility of so-called bicycloaromaticity was noted early on. However, it has yet to be demonstrated by experiment in a simple synthetic organic molecule. Conjugated organic systems are attractive for studying the effect of structure on electronic features. This is because, in principle, they can be modified readily through dedicated synthesis. As such, they can provide useful frameworks for testing by experiment with fundamental insights provided by theory. Here we detail the synthesis and characterization of two purely organic non-planar dithienothiophene-bridged [34]octaphyrins that permit access to two different aromatic forms as a function of the oxidation state. In their neutral forms, these congeneric systems contain competing 26 and 34 π-electronic circuits. When subject to two-electron oxidation, electronically mixed [4n+1]/[4n+1] triplet biradical species in the ground state are obtained that display global aromaticity in accord with Baird's rule.

  12. Almost ring theory

    CERN Document Server

    2003-01-01

    This book develops thorough and complete foundations for the method of almost etale extensions, which is at the basis of Faltings' approach to p-adic Hodge theory. The central notion is that of an "almost ring". Almost rings are the commutative unitary monoids in a tensor category obtained as a quotient V-Mod/S of the category V-Mod of modules over a fixed ring V; the subcategory S consists of all modules annihilated by a fixed ideal m of V, satisfying certain natural conditions. The reader is assumed to be familiar with general categorical notions, some basic commutative algebra and some advanced homological algebra (derived categories, simplicial methods). Apart from these general prerequisites, the text is as self-contained as possible. One novel feature of the book - compared with Faltings' earlier treatment - is the systematic exploitation of the cotangent complex, especially for the study of deformations of almost algebras.

  13. Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

    Science.gov (United States)

    Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

    2018-03-06

    Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

  14. Noncomparative scaling of aromaticity through electron itinerancy

    International Nuclear Information System (INIS)

    Paul, Satadal; Goswami, Tamal; Misra, Anirban

    2015-01-01

    Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry

  15. Compact electron storage rings

    International Nuclear Information System (INIS)

    Williams, G.P.

    1987-01-01

    There have been many recent developments in the area of compact storage rings. Such rings would have critical wavelengths of typically 10 A, achieved with beam energies of several hundreds of MeV and superconducting dipole fields of around 5 Tesla. Although the primary motivation for progress in this area is that of commercial x-ray lithography, such sources might be an attractive source for college campuses to operate. They would be useful for many programs in materials science, solid state, x-ray microscopy and other biological areas. We discuss the properties of such sources and review developments around the world, primarily in the USA, japan and W. Germany

  16. The covariant chiral ring

    Energy Technology Data Exchange (ETDEWEB)

    Bourget, Antoine; Troost, Jan [Laboratoire de Physique Théorique, École Normale Supérieure, 24 rue Lhomond, 75005 Paris (France)

    2016-03-23

    We construct a covariant generating function for the spectrum of chiral primaries of symmetric orbifold conformal field theories with N=(4,4) supersymmetry in two dimensions. For seed target spaces K3 and T{sup 4}, the generating functions capture the SO(21) and SO(5) representation theoretic content of the chiral ring respectively. Via string dualities, we relate the transformation properties of the chiral ring under these isometries of the moduli space to the Lorentz covariance of perturbative string partition functions in flat space.

  17. Vortex and source rings

    DEFF Research Database (Denmark)

    Branlard, Emmanuel Simon Pierre

    2017-01-01

    The velocity field, vector potential and velocity gradient of a vortex ring is derived in this chapter. The Biot-Savart law for the vector potential and velocity is expressed in a first section. Then, the flow is derived at specific locations: on the axis, near the axis and in the far field where...... the analogy to a doublet field is made. The following section derive the value of the vector potential and velocity field in the full domain. The expression for the velocity gradient is also provided since it may be relevant in a simulation with vortex particles and vortex rings. Most of this chapter...

  18. The Saturnian rings

    International Nuclear Information System (INIS)

    Alfven, H.

    1975-09-01

    The structure of the Saturnian rings is traditionally believed to be due to resonances caused by Mimas (and possibly other satellites). It is shown that both theoretical and observational evidence rule out this interpretation. The increased observational accuracy on one hand and the increased understanding of the cosmogonic processes on the other makes it possible to explain the structure of the ring system as a product of condensation from a partially corotating plasma. In certain respects the agreement between theory and observations is about 1%. (Auth.)

  19. RINGED ACCRETION DISKS: INSTABILITIES

    Energy Technology Data Exchange (ETDEWEB)

    Pugliese, D.; Stuchlík, Z., E-mail: d.pugliese.physics@gmail.com, E-mail: zdenek.stuchlik@physics.cz [Institute of Physics and Research Centre of Theoretical Physics and Astrophysics, Faculty of Philosophy and Science, Silesian University in Opava, Bezručovo náměstí 13, CZ-74601 Opava (Czech Republic)

    2016-04-01

    We analyze the possibility that several instability points may be formed, due to the Paczyński mechanism of violation of mechanical equilibrium, in the orbiting matter around a supermassive Kerr black hole. We consider a recently proposed model of a ringed accretion disk, made up by several tori (rings) that can be corotating or counter-rotating relative to the Kerr attractor due to the history of the accretion process. Each torus is governed by the general relativistic hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. We prove that the number of the instability points is generally limited and depends on the dimensionless spin of the rotating attractor.

  20. Project W-420 Stack Monitoring system upgrades conceptual design report

    International Nuclear Information System (INIS)

    TUCK, J.A.

    1998-01-01

    This document describes the scope, justification, conceptual design, and performance of Project W-420 stack monitoring system upgrades on six NESHAP-designated, Hanford Tank Farms ventilation exhaust stacks

  1. Project W-420 Stack Monitoring system upgrades conceptual design report

    Energy Technology Data Exchange (ETDEWEB)

    TUCK, J.A.

    1998-11-06

    This document describes the scope, justification, conceptual design, and performance of Project W-420 stack monitoring system upgrades on six NESHAP-designated, Hanford Tank Farms ventilation exhaust stacks.

  2. 1H NMR analysis of complexation of hydrotropic agents nicotinamide and caffeine with aromatic biologically active molecules in aqueous solution

    Science.gov (United States)

    Lantushenko, Anastasia O.; Mukhina, Yulia V.; Veselkov, Kyrill A.; Davies, David B.; Veselkov, Alexei N.

    2004-07-01

    NMR spectroscopy has been used to elucidate the molecular mechanism of solubilization action of hydrotropic agents nicotinamide (NA) and caffeine (CAF). Hetero-association of NA with riboflavine-mononucleotide (FMN) and CAF with low soluble in aqueous solution synthetic analogue of antibiotic actinomycin D, actinocyl-bis-(3-dimethylaminopropyl) amine (Actill), has been investigated by 500 MHz 1H NMR spectroscopy. Concentration and temperature dependences of proton chemical shifts have been analysed in terms of a statistical-thermodynamic model of indefinite self- and heteroassociation of aromatic molecules. The obtained results enable to conclude that NA-FMN and CAF-Actill intermolecular complexes are mainly stabilized by the stacking interactions of the aromatic chromophores. Hetero-association of the investigated molecules plays an important role in solubilization of aromatic drugs by hydrotropic agents nicotinamide and caffeine.

  3. Multistage Force Amplification of Piezoelectric Stacks

    Science.gov (United States)

    Xu, Tian-Bing (Inventor); Siochi, Emilie J. (Inventor); Zuo, Lei (Inventor); Jiang, Xiaoning (Inventor); Kang, Jin Ho (Inventor)

    2015-01-01

    Embodiments of the disclosure include an apparatus and methods for using a piezoelectric device, that includes an outer flextensional casing, a first cell and a last cell serially coupled to each other and coupled to the outer flextensional casing such that each cell having a flextensional cell structure and each cell receives an input force and provides an output force that is amplified based on the input force. The apparatus further includes a piezoelectric stack coupled to each cell such that the piezoelectric stack of each cell provides piezoelectric energy based on the output force for each cell. Further, the last cell receives an input force that is the output force from the first cell and the last cell provides an output apparatus force In addition, the piezoelectric energy harvested is based on the output apparatus force. Moreover, the apparatus provides displacement based on the output apparatus force.

  4. Radiation-Tolerant Intelligent Memory Stack - RTIMS

    Science.gov (United States)

    Ng, Tak-kwong; Herath, Jeffrey A.

    2011-01-01

    This innovation provides reconfigurable circuitry and 2-Gb of error-corrected or 1-Gb of triple-redundant digital memory in a small package. RTIMS uses circuit stacking of heterogeneous components and radiation shielding technologies. A reprogrammable field-programmable gate array (FPGA), six synchronous dynamic random access memories, linear regulator, and the radiation mitigation circuits are stacked into a module of 42.7 42.7 13 mm. Triple module redundancy, current limiting, configuration scrubbing, and single- event function interrupt detection are employed to mitigate radiation effects. The novel self-scrubbing and single event functional interrupt (SEFI) detection allows a relatively soft FPGA to become radiation tolerant without external scrubbing and monitoring hardware

  5. Development of on-site PAFC stacks

    Energy Technology Data Exchange (ETDEWEB)

    Hotta, K.; Matsumoto, Y. [Kansai Electric Power Co., Amagasaki (Japan); Horiuchi, H.; Ohtani, T. [Mitsubishi Electric Corp., Kobe (Japan)

    1996-12-31

    PAFC (Phosphoric Acid Fuel Cell) has been researched for commercial use and demonstration plants have been installed in various sites. However, PAFC don`t have a enough stability yet, so more research and development must be required in the future. Especially, cell stack needs a proper state of three phases (liquid, gas and solid) interface. It is very difficult technology to keep this condition for a long time. In the small size cell with the electrode area of 100 cm{sup 2}, gas flow and temperature distributions show uniformity. But in the large size cell with the electrode area of 4000 cm{sup 2}, the temperature distributions show non-uniformity. These distributions would cause to be shorten the cell life. Because these distributions make hot-spot and gas poverty in limited parts. So we inserted thermocouples in short-stack for measuring three-dimensional temperature distributions and observed effects of current density and gas utilization on temperature.

  6. System for inspection of stacked cargo containers

    Science.gov (United States)

    Derenzo, Stephen [Pinole, CA

    2011-08-16

    The present invention relates to a system for inspection of stacked cargo containers. One embodiment of the invention generally comprises a plurality of stacked cargo containers arranged in rows or tiers, each container having a top, a bottom a first side, a second side, a front end, and a back end; a plurality of spacers arranged in rows or tiers; one or more mobile inspection devices for inspecting the cargo containers, wherein the one or more inspection devices are removeably disposed within the spacers, the inspection means configured to move through the spacers to detect radiation within the containers. The invented system can also be configured to inspect the cargo containers for a variety of other potentially hazardous materials including but not limited to explosive and chemical threats.

  7. Industrial stacks design; Diseno de chimeneas industriales

    Energy Technology Data Exchange (ETDEWEB)

    Cacheux, Luis [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1987-12-31

    The Instituto de Investigaciones Electricas (IIE) though its Civil Works Department, develops, under contract with CFE`s Gerencia de Proyectos Termoelectricos (Management of Fossil Power Plant Projects), a series of methods for the design of stacks, which pretends to solve the a present day problem: the stack design of the fossil power plants that will go into operation during the next coming years in the country. [Espanol] El Instituto de Investigaciones Electricas (IIE), a traves del Departamento de Ingenieria Civil, desarrolla, bajo contrato con la Gerencia de Proyectos Termoelectricos, de la Comision Federal de Electricidad (CFE), un conjunto de metodos para el diseno de chimeneas, con el que se pretende resolver un problema inmediato: el diseno de las chimeneas de las centrales termoelectricas que entraran en operacion durante los proximos anos, en el pais.

  8. Absorption spectra of AA-stacked graphite

    International Nuclear Information System (INIS)

    Chiu, C W; Lee, S H; Chen, S C; Lin, M F; Shyu, F L

    2010-01-01

    AA-stacked graphite shows strong anisotropy in geometric structures and velocity matrix elements. However, the absorption spectra are isotropic for the polarization vector on the graphene plane. The spectra exhibit one prominent plateau at middle energy and one shoulder structure at lower energy. These structures directly reflect the unique geometric and band structures and provide sufficient information for experimental fitting of the intralayer and interlayer atomic interactions. On the other hand, monolayer graphene shows a sharp absorption peak but no shoulder structure; AA-stacked bilayer graphene has two absorption peaks at middle energy and abruptly vanishes at lower energy. Furthermore, the isotropic features are expected to exist in other graphene-related systems. The calculated results and the predicted atomic interactions could be verified by optical measurements.

  9. Industrial stacks design; Diseno de chimeneas industriales

    Energy Technology Data Exchange (ETDEWEB)

    Cacheux, Luis [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1986-12-31

    The Instituto de Investigaciones Electricas (IIE) though its Civil Works Department, develops, under contract with CFE`s Gerencia de Proyectos Termoelectricos (Management of Fossil Power Plant Projects), a series of methods for the design of stacks, which pretends to solve the a present day problem: the stack design of the fossil power plants that will go into operation during the next coming years in the country. [Espanol] El Instituto de Investigaciones Electricas (IIE), a traves del Departamento de Ingenieria Civil, desarrolla, bajo contrato con la Gerencia de Proyectos Termoelectricos, de la Comision Federal de Electricidad (CFE), un conjunto de metodos para el diseno de chimeneas, con el que se pretende resolver un problema inmediato: el diseno de las chimeneas de las centrales termoelectricas que entraran en operacion durante los proximos anos, en el pais.

  10. Structural and spectral comparisons between isomeric benzisothiazole and benzothiazole based aromatic heterocyclic dyes

    Science.gov (United States)

    Wang, Yin-Ge; Wang, Yue-Hua; Tao, Tao; Qian, Hui-Fen; Huang, Wei

    2015-09-01

    A pair of isomeric heterocyclic compounds, namely 3-amino-5-nitro-[2,1]-benzisothiazole and 2-amino-6-nitrobenzothiazole, are used as the diazonium components to couple with two N-substituted 4-aminobenzene derivatives. As a result, two pairs of isomeric aromatic heterocyclic azo dyes have been produced and they are structurally and spectrally characterized and compared including single-crystal structures, electronic spectra, solvatochromism and reversible acid-base discoloration, thermal stability and theoretically calculations. It is concluded that both benzisothiazole and benzothiazole based dyes show planar molecular structures and offset π-π stacking interactions, solvatochromism and reversible acid-base discoloration. Furthermore, benzisothiazole based aromatic heterocyclic dyes exhibit higher thermal stability, larger solvatochromic effects and maximum absorption wavelengths than corresponding benzothiazole based ones, which can be explained successfully by the differences of their calculated isomerization energy, dipole moment and molecular band gaps.

  11. 400 W High Temperature PEM Fuel Cell Stack Test

    DEFF Research Database (Denmark)

    Andreasen, Søren Juhl; Kær, Søren Knudsen

    2006-01-01

    This work demonstrates the operation of a 30 cell high temperature PEM (HTPEM) fuel cell stack. This prototype stack has been developed at the Institute of Energy Technology, Aalborg University, as a proof-of-concept for a low pressure cathode air cooled HTPEM stack. The membranes used are Celtec...

  12. Presence and potential significance of aromatic-ketone groups in aquatic humic substances

    Science.gov (United States)

    Leenheer, J.A.; Wilson, M.A.; Malcolm, R.L.

    1987-01-01

    Aquatic humic- and fulvic-acid standards of the International Humic Substances Society were characterized, with emphasis on carbonyl-group nature and content, by carbon-13 nuclear-magnetic-resonance spectroscopy, proton nuclear-magnetic-resonance spectroscopy, and infrared spectroscopy. After comparing spectral results of underivatized humic and fulvic acids with spectral results of chemically modified derivatives, that allow improved observation of the carbonyl group, the data clearly indicated that aromatic ketone groups comprised the majority of the carbonyl-group content. About one ketone group per monocyclic aromatic ring was determined for both humic and fulvic acids. Aromatic-ketone groups were hypothesized to form by photolytic rearrangements and oxidation of phenolic ester and hydrocarbon precursors; these groups have potential significance regarding haloform formation in water, reactivity resulting from active hydrogen of the methyl and methylene adjacent to the ketone groups, and formation of hemiketal and lactol structures. Aromatic-ketone groups also may be the point of attachment between aliphatic and aromatic moieties of aquatic humic-substance structure. ?? 1987.

  13. Analysis of preference for carbon source utilization among three strains of aromatic compounds degrading Pseudomonas.

    Science.gov (United States)

    Karishma, M; Trivedi, Vikas D; Choudhary, Alpa; Mhatre, Akanksha; Kambli, Pranita; Desai, Jinal; Phale, Prashant S

    2015-10-01

    Soil isolates Pseudomonas putida CSV86, Pseudomonas aeruginosa PP4 and Pseudomonas sp. C5pp degrade naphthalene, phthalate isomers and carbaryl, respectively. Strain CSV86 displayed a diauxic growth pattern on phenylpropanoid compounds (veratraldehyde, ferulic acid, vanillin or vanillic acid) plus glucose with a distinct second lag-phase. The glucose concentration in the medium remained constant with higher cell respiration rates on aromatics and maximum protocatechuate 3,4-dioxygenase activity in the first log-phase, which gradually decreased in the second log-phase with concomitant depletion of the glucose. In strains PP4 and C5pp, growth profile and metabolic studies suggest that glucose is utilized in the first log-phase with the repression of utilization of aromatics (phthalate or carbaryl). All three strains utilize benzoate via the catechol 'ortho' ring-cleavage pathway. On benzoate plus glucose, strain CSV86 showed preference for benzoate over glucose in contrast to strains PP4 and C5pp. Additionally, organic acids like succinate were preferred over aromatics in strains PP4 and C5pp, whereas strain CSV86 co-metabolizes them. Preferential utilization of aromatics over glucose and co-metabolism of organic acids and aromatics are found to be unique properties of P. putida CSV86 as compared with strains PP4 and C5pp and this property of strain CSV86 can be exploited for effective bioremediation. © FEMS 2015. All rights reserved.

  14. The effect of aromatization on the isotopic compositions of hydrocarbons during early diagenesis

    Science.gov (United States)

    Freeman, K. H.; Boreham, C. J.; Summons, R. E.; Hayes, J. M.

    1994-01-01

    Polycyclic aromatic hydrocarbons with varying degrees of aromatization were isolated from the Eocene Messel Shale (Rheingraben, Germany). The high abundances of these compounds and their structural resemblances to cyclic triterpenoid lipids are consistent with derivation from microbial rather than thermal processes. Compounds structurally related to oleanane contain from five to nine double bonds; those within a series of aromatized hopanoids contain from three to nine. All are products of diagenetic reactions that remove hydrogen or methyl groups, and, in several cases, break carbon-carbon bonds to open rings. Aromatized products are on average depleted in 13C relative to possible precursors by l.2% (range: l.5% enrichment to 4% depletion, n = 9). The dependence of 13C content on the number of double bonds is not, however, statistically significant and it must be concluded that there is no strong evidence for isotopic fractionation accompanying diagenetic aromatization. Isotopic differences between series (structures related to ursane, des-A-ursane, des-A-lupane, des-A-arborane, and possibly, des-A-gammacerane are present) are much greater, indicating that 13C contents are controlled primarily by source effects. Fractionations due to chromatographic isotope effects during HPLC ranged from 0.1 to 2.8%.

  15. Fusion rings and fusion ideals

    DEFF Research Database (Denmark)

    Andersen, Troels Bak

    by the so-called fusion ideals. The fusion rings of Wess-Zumino-Witten models have been widely studied and are well understood in terms of precise combinatorial descriptions and explicit generating sets of the fusion ideals. They also appear in another, more general, setting via tilting modules for quantum......This dissertation investigates fusion rings, which are Grothendieck groups of rigid, monoidal, semisimple, abelian categories. Special interest is in rational fusion rings, i.e., fusion rings which admit a finite basis, for as commutative rings they may be presented as quotients of polynomial rings...

  16. Arrested Handedness and Disordered Stacking in Crystals of the Pre-helical Molecule 7,8-Dioxa[6]helicene

    DEFF Research Database (Denmark)

    Krebs, Frederik C; Faldt, André; Thorup, Niels

    1999-01-01

    A characteristic feature of many molecules of biological origin is their 'handedness' or enantiomorphism. L. Pasteur prepared and separated enantiomeric crystals in 1848.(1) Since then, manifestations of symmetry breaking have attracted much attention.(2,3) Simple models of the new horseshoe shaped...... molecule, 7,8-dioxa[6]helicene ( 1), indicated a low inversion barrier between helical enantiomers. A quasi-planar pi system capable of stack formation was also observed. The molecule in question is a so-called helicene. Aromatic helicenes and heteroaromatic helicenes constitute a class of molecules...

  17. Flushing Ring for EDM

    Science.gov (United States)

    Earwood, L.

    1985-01-01

    Removing debris more quickly lowers cutting time. Operation, cutting oil and pressurized air supplied to ring placed around workpiece. Air forces oil through small holes and agitates oil as it flows over workpiece. High flow rate and agitation dislodge and remove debris. Electrical discharge removes material from workpiece faster.

  18. Sector ring accelerator ''RESATRON''

    International Nuclear Information System (INIS)

    Schwabe, E.

    1980-01-01

    Project of sector ring accelerator RESATRON is described. The curiosity of this accelerator is the second cycle of acceleration of the beam after stripping it on the foil. In such an accelerator heavy ions with a different ratio Z to A can be accelerated. (S.B.)

  19. Ring chromosome 13

    DEFF Research Database (Denmark)

    Brandt, C A; Hertz, Jens Michael; Petersen, M B

    1992-01-01

    A stillborn male child with anencephaly and multiple malformations was found to have the karyotype 46,XY,r(13) (p11q21.1). The breakpoint at 13q21.1, determined by high resolution banding, is the most proximal breakpoint ever reported in patients with ring chromosome 13. In situ hybridisation...

  20. SXLS storage ring design

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    X-ray lithography has emerged as a strong candidate to meet the demands of ever finer linewidths on integrated circuits, particularly for linewidths less than .25 microns. Proximity printing X-ray lithography makes use of soft X-rays to shadow print an image of a mask onto a semiconductor wafer to produce integrated circuits. To generate the required X-rays in sufficient quantities to make commercial production viable, electron storage rings have been proposed as the soft X-ray sources. Existing storage rings have been used to do the initial development work and the success of these efforts has led the lithographers to request that new rings be constructed that are dedicated to X-ray lithography. As a result of a series of workshops held at BNL [10.3] which were attended by both semiconductor and accelerator scientists, the following set of zeroth order specifications' on the light and electron beam of a storage ring for X-ray lithography were developed: critical wavelength of light: λ c = 6 to 10 angstroms, white light power: P = 0.25 to 2.5 watts/mrad, horizontal collection angle per port: θ = 10 to 50 mrad, electron beam sizes: σ x ∼ σ y y ' < 1 mrad

  1. Ring magnetron ionizer

    International Nuclear Information System (INIS)

    Alessi, J.G.

    1986-01-01

    A ring magnetron D - charge exchange ionizer has been built and tested. An H - current of 500 μA was extracted with an estimated H 0 density in the ionizer of 10 12 cm -3 . This exceeds the performance of ionizers presently in use on polarized H - sources. The ionizer will soon be tested with a polarized atomic beam

  2. Algebras, rings and modules

    CERN Document Server

    Hazewinkel, Michiel; Kirichenko, V V

    Provides both the classical aspects of the theory of groups and their representations as well as a general introduction to the modern theory of representations, including the representations of quivers and finite partially ordered sets. This volume provides the theory of semiprime Noetherian semiperfect and semidistributive rings.

  3. Lattices for antiproton rings

    International Nuclear Information System (INIS)

    Autin, B.

    1984-01-01

    After a description of the constraints imposed by the cooling of Antiprotons on the lattice of the rings, the reasons which motivate the shape and the structure of these machines are surveyed. Linear and non-linear beam optics properties are treated with a special amplification to the Antiproton Accumulator. (orig.)

  4. Role of stacking disorder in ice nucleation.

    Science.gov (United States)

    Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H; Molinero, Valeria

    2017-11-08

    The freezing of water affects the processes that determine Earth's climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

  5. A Late Pleistocene sea level stack

    OpenAIRE

    Spratt Rachel M; Lisiecki Lorraine E

    2016-01-01

    Late Pleistocene sea level has been reconstructed from ocean sediment core data using a wide variety of proxies and models. However, the accuracy of individual reconstructions is limited by measurement error, local variations in salinity and temperature, and assumptions particular to each technique. Here we present a sea level stack (average) which increases the signal-to-noise ratio of individual reconstructions. Specifically, we perform principal componen...

  6. CAM and stack air sampler design guide

    International Nuclear Information System (INIS)

    Phillips, T.D.

    1994-01-01

    About 128 air samplers and CAMs presently in service to detect and document potential radioactive release from 'H' and 'F' area tank farm ventilation stacks are scheduled for replacement and/or upgrade by Projects S-5764, S-2081, S-3603, and S-4516. The seven CAMs scheduled to be upgraded by Project S-4516 during 1995 are expected to provide valuable experience for the three remaining projects. The attached document provides design guidance for the standardized High Level Waste air sampling system

  7. Propellers in Saturn's rings

    Science.gov (United States)

    Sremcevic, M.; Stewart, G. R.; Albers, N.; Esposito, L. W.

    2013-12-01

    Theoretical studies and simulations have demonstrated the effects caused by objects embedded in planetary rings. Even if the objects are too small to be directly observed, each creates a much larger gravitational imprint on the surrounding ring material. These strongly depend on the mass of the object and range from "S" like propeller-shaped structures for about 100m-sized icy bodies to the opening of circumferential gaps as in the case of the embedded moons Pan and Daphnis and their corresponding Encke and Keeler Gaps. Since the beginning of the Cassini mission many of these smaller objects (~data from Cassini Ultraviolet Imaging Spectrograph (UVIS) and Imaging Science Subsystem (ISS) experiments. We show evidence that B ring seems to harbor two distinct populations of propellers: "big" propellers covering tens of degrees in azimuth situated in the densest part of B ring, and "small" propellers in less dense inner B ring that are similar in size and shape to known A ring propellers. The population of "big" propellers is exemplified with a single object which is observed for 5 years of Cassini data. The object is seen as a very elongated bright stripe (40 degrees wide) in unlit Cassini images, and dark stripe in lit geometries. In total we report observing the feature in images at 18 different epochs between 2005 and 2010. In UVIS occultations we observe this feature as an optical depth depletion in 14 out of 93 occultation cuts at corrotating longitudes compatible with imaging data. Combining the available Cassini data we infer that the object is a partial gap located at r=112,921km embedded in the high optical depth region of the B ring. The gap moves at Kepler speed appropriate for its radial location. Radial offsets of the gap locations in UVIS occultations are consistent with an asymmetric propeller shape. The asymmetry of the observed shape is most likely a consequence of the strong surface mass density gradient, as the feature is located at an edge between

  8. Extended Life PZT Stack Test Fixture

    Science.gov (United States)

    Badescu, Mircea; Sherrit, S.; Bao, X.; Aldrich, J.; Bar-Cohen, Y.; Jones, C.

    2009-01-01

    Piezoelectric stacks are being sought to be used as actuators for precision positioning and deployment of mechanisms in future planetary missions. Beside the requirement for very high operation reliability, these actuators are required for operation at space environments that are considered harsh compared to normal terrestrial conditions.These environmental conditions include low and high temperatures and vacuum or high pressure. Additionally, the stacks are subjected to high stress and in some applications need to operate with a very long lifetime durability.Many of these requirements are beyond the current industry design margins for nominal terrestrial applications. In order to investigate some of the properties that will indicate the durability of such actuators and their limitations we have developed a new type of test fixture that can be easily integrated in various test chambers for simulating environmental conditions, can provide access for multiple measurements while being exposed to adjustable stress levels. We designed and built two test fixtures and these fixtures were made to be adjustable for testing stacks with different dimensions and can be easily used in small or large numbers. The properties that were measured using these fixtures include impedance, capacitance, dielectric loss factor, leakage current, displacement, breakdown voltage, and lifetime performance. The fixtures characteristics and the test capabilities are presented in this paper.

  9. Electrochemical Detection in Stacked Paper Networks.

    Science.gov (United States)

    Liu, Xiyuan; Lillehoj, Peter B

    2015-08-01

    Paper-based electrochemical biosensors are a promising technology that enables rapid, quantitative measurements on an inexpensive platform. However, the control of liquids in paper networks is generally limited to a single sample delivery step. Here, we propose a simple method to automate the loading and delivery of liquid samples to sensing electrodes on paper networks by stacking multiple layers of paper. Using these stacked paper devices (SPDs), we demonstrate a unique strategy to fully immerse planar electrodes by aqueous liquids via capillary flow. Amperometric measurements of xanthine oxidase revealed that electrochemical sensors on four-layer SPDs generated detection signals up to 75% higher compared with those on single-layer paper devices. Furthermore, measurements could be performed with minimal user involvement and completed within 30 min. Due to its simplicity, enhanced automation, and capability for quantitative measurements, stacked paper electrochemical biosensors can be useful tools for point-of-care testing in resource-limited settings. © 2015 Society for Laboratory Automation and Screening.

  10. The CERN Intersecting Storage Rings

    CERN Document Server

    Myers, Stephen

    2016-01-01

    The following sections are included: Introduction and history ; Phase displacement and stacking ; Vacuum ; Working lines and space charge compensation ; Schottky scans ; Centring the accumulated beam in the aperture ; Inserting markers in the stack ; Acceleration by phase displacement ; Computer control of accelerators ; Working close to the integer ; Low β insertions and luminosity ; Stochastic cooling ; Summary: What did ISR teach us? ; References

  11. FUZZY RINGS AND ITS PROPERTIES

    Directory of Open Access Journals (Sweden)

    Karyati Karyati

    2017-01-01

      One of algebraic structure that involves a binary operation is a group that is defined  an un empty set (classical with an associative binary operation, it has identity elements and each element has an inverse. In the structure of the group known as the term subgroup, normal subgroup, subgroup and factor group homomorphism and its properties. Classical algebraic structure is developed to algebraic structure fuzzy by the researchers as an example semi group fuzzy and fuzzy group after fuzzy sets is introduced by L. A. Zadeh at 1965. It is inspired of writing about semi group fuzzy and group of fuzzy, a research on the algebraic structure of the ring is held with reviewing ring fuzzy, ideal ring fuzzy, homomorphism ring fuzzy and quotient ring fuzzy with its properties. The results of this study are obtained fuzzy properties of the ring, ring ideal properties fuzzy, properties of fuzzy ring homomorphism and properties of fuzzy quotient ring by utilizing a subset of a subset level  and strong level  as well as image and pre-image homomorphism fuzzy ring.   Keywords: fuzzy ring, subset level, homomorphism fuzzy ring, fuzzy quotient ring

  12. Guanine base stacking in G-quadruplex nucleic acids

    Science.gov (United States)

    Lech, Christopher Jacques; Heddi, Brahim; Phan, Anh Tuân

    2013-01-01

    G-quadruplexes constitute a class of nucleic acid structures defined by stacked guanine tetrads (or G-tetrads) with guanine bases from neighboring tetrads stacking with one another within the G-tetrad core. Individual G-quadruplexes can also stack with one another at their G-tetrad interface leading to higher-order structures as observed in telomeric repeat-containing DNA and RNA. In this study, we investigate how guanine base stacking influences the stability of G-quadruplexes and their stacked higher-order structures. A structural survey of the Protein Data Bank is conducted to characterize experimentally observed guanine base stacking geometries within the core of G-quadruplexes and at the interface between stacked G-quadruplex structures. We couple this survey with a systematic computational examination of stacked G-tetrad energy landscapes using quantum mechanical computations. Energy calculations of stacked G-tetrads reveal large energy differences of up to 12 kcal/mol between experimentally observed geometries at the interface of stacked G-quadruplexes. Energy landscapes are also computed using an AMBER molecular mechanics description of stacking energy and are shown to agree quite well with quantum mechanical calculated landscapes. Molecular dynamics simulations provide a structural explanation for the experimentally observed preference of parallel G-quadruplexes to stack in a 5′–5′ manner based on different accessible tetrad stacking modes at the stacking interfaces of 5′–5′ and 3′–3′ stacked G-quadruplexes. PMID:23268444

  13. Substrate specific hydrolysis of aromatic and aromatic-aliphatic esters in orchid tissue cultures

    Directory of Open Access Journals (Sweden)

    Agnieszka Mironowicz

    2014-01-01

    Full Text Available We found that tissue cultures of higher plants were able, similarly as microorganisms, to transform low-molecular-weight chemical compounds. In tissue cultures of orchids (Cymbidium 'Saint Pierre' and Dendrobium phalaenopsis acetates of phenols and aromatic-aliphatic alcohols were hydrolyzed, whereas methyl esters of aromatic and aromatic-aliphatic acids did not undergo this reaction. Acetates of racemic aromatic-aliphatic alcohols were hydrolyzed with distinct enantiospecificity.

  14. Inorganic glass ceramic slip rings

    Science.gov (United States)

    Glossbrenner, E. W.; Cole, S. R.

    1972-01-01

    Prototypes of slip rings have been fabricated from ceramic glass, a material which is highly resistant to deterioration due to high temperature. Slip ring assemblies were not structurally damaged by mechanical tests and performed statisfactorily for 200 hours.

  15. Uniquely Strongly Clean Group Rings

    Institute of Scientific and Technical Information of China (English)

    WANG XIU-LAN

    2012-01-01

    A ring R is called clean if every element is the sum of an idempotent and a unit,and R is called uniquely strongly clean (USC for short) if every element is uniquely the sum of an idempotent and a unit that commute.In this article,some conditions on a ring R and a group G such that RG is clean are given.It is also shown that if G is a locally finite group,then the group ring RG is USC if and only if R is USC,and G is a 2-group.The left uniquely exchange group ring,as a middle ring of the uniquely clean ring and the USC ring,does not possess this property,and so does the uniquely exchange group ring.

  16. Optimization of the vacuum insulator stack of the MIG pulsed power generator

    International Nuclear Information System (INIS)

    Khamzakhan, G; Chaikovsky, S A

    2014-01-01

    The MIG multi-purpose pulsed power machine is intended to generate voltage pulses of amplitude up to 6 MV with electron-beam loads and current pulses of amplitude up to 2.5 MA and rise time '00 ns with inductive loads like Z pinches. The MIG generator is capable of producing a peak power of 2.5 TW. Its water transmission line is separated from the vacuum line by an insulator stack. In the existing design of the insulator, some malfunctions have been detected. The most serious problems revealed are the vacuum surface flashover occurring before the current peaks and the deep discharge traces on the water-polyethylene interface of the two rings placed closer to the ground. A comprehensive numerical simulation of the electric field distribution in the insulator of the MIG generator has been performed. It has been found that the chief drawbacks are nonuniform voltage grading across the insulator rings and significant enhancement of the electric field at anode triple junctions. An improved design of the insulator stack has been developed. It is expected that the proposed modification that requires no rearrangement of either the water line or the load-containing vacuum chamber will provide higher electric strength of the insulator

  17. Ring closure in actin polymers

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Supurna, E-mail: supurna@rri.res.in [Raman Research Institute, Bangalore 560080 (India); Chattopadhyay, Sebanti [Doon University, Dehradun 248001 (India)

    2017-03-18

    We present an analysis for the ring closure probability of semiflexible polymers within the pure bend Worm Like Chain (WLC) model. The ring closure probability predicted from our analysis can be tested against fluorescent actin cyclization experiments. We also discuss the effect of ring closure on bend angle fluctuations in actin polymers. - Highlights: • Ring closure of biopolymers. • Worm like chain model. • Predictions for experiments.

  18. Normal-phase liquid chromatography retention behavior of polycyclic aromatic sulfur heterocycles and alkyl-substituted polycyclic aromatic sulfur heterocycle isomers on an aminopropyl stationary phase.

    Science.gov (United States)

    Wilson, Walter B; Hayes, Hugh V; Sander, Lane C; Campiglia, Andres D; Wise, Stephen A

    2018-02-01

    Retention indices for 67 polycyclic aromatic sulfur heterocycles (PASHs) and 80 alkyl-substituted PASHs were determined using normal-phase liquid chromatography (NPLC) on an aminopropyl (NH 2 ) stationary phase. The retention behavior of PASH on the NH 2 phase is correlated with the number of aromatic carbon atoms and two structural characteristics have a significant influence on their retention: non-planarity (thickness, T) and the position of the sulfur atom in the bay-region of the structure. Correlations between solute retention on the NH 2 phase and T of PASHs were investigated for three cata-condensed (cata-) PASH isomer groups: (a) 13 four-ring molecular mass (MM) 234 Da cata-PASHs, (b) 20 five-ring MM 284 Da cata-PASHs, and (c) 12 six-ring MM 334 Da cata-PASHs. Correlation coefficients ranged from r = -0.49 (MM 234 Da) to r = -0.65 (MM 334 Da), which were significantly lower than structurally similar PAH isomer groups (r = -0.70 to r = -0.99). The NPLC retention behavior of the PASHs are compared to similar results for PAHs.

  19. Dynamic Model of High Temperature PEM Fuel Cell Stack Temperature

    DEFF Research Database (Denmark)

    Andreasen, Søren Juhl; Kær, Søren Knudsen

    2007-01-01

    cathode air cooled 30 cell HTPEM fuel cell stack developed at the Institute of Energy Technology at Aalborg University. This fuel cell stack uses PEMEAS Celtec P-1000 membranes, runs on pure hydrogen in a dead end anode configuration with a purge valve. The cooling of the stack is managed by running......The present work involves the development of a model for predicting the dynamic temperature of a high temperature PEM (HTPEM) fuel cell stack. The model is developed to test different thermal control strategies before implementing them in the actual system. The test system consists of a prototype...... the stack at a high stoichiometric air flow. This is possible because of the PBI fuel cell membranes used, and the very low pressure drop in the stack. The model consists of a discrete thermal model dividing the stack into three parts: inlet, middle and end and predicting the temperatures in these three...

  20. Design of low energy ring(s)

    CERN Document Server

    Lachaize, Antoine

    During the last two years, several upgrades of the initial baseline scenario were studied with the aim of increasing the average intensity of ion beams in the accelerator chain of the Beta Beam complex. This is the reason why the Rapid Cycling Synchrotron (RCS) specifications were reconsidered many times [1], [2], [3].General considerations on the optical design were presented at the Beta Beam Task Meetings held at CERN and at Saclay in 2005 [4]. More detailed beam optics studies were performed during the next months. Lattices, RF system parameters, multi-turn injection scheme, fast extraction, closed orbit correction and chromaticity correction systems were proposed for different versions of the RCS [5], [6], [7].Finally, the RCS specifications have stabilized in November 2006 after the fourth Beta Beam Task Meeting when it was decided to fix the maximum magnetic rigidity of ion beams to 14.47 T.m (3.5 GeV equivalent proton energy) and to adopt a ring physical radius of 40 m in order to facilitate injectio...

  1. Large Abundances of Polycyclic Aromatic Hydrocarbons in Titan's Upper Atmosphere

    Science.gov (United States)

    Lopez-Puertas, M.; Dinelli, B. M.; Adriani, A.; Funke, B.; Garcia-Comas, M.; Moriconi, M. L.; D'Aversa, E.; Boersma, C.; Allamandola, L. J.

    2013-01-01

    In this paper, we analyze the strong unidentified emission near 3.28 micron in Titan's upper daytime atmosphere recently discovered by Dinelli et al.We have studied it by using the NASA Ames PAH IR Spectroscopic Database. The polycyclic aromatic hydrocarbons (PAHs), after absorbing UV solar radiation, are able to emit strongly near 3.3 micron. By using current models for the redistribution of the absorbed UV energy, we have explained the observed spectral feature and have derived the vertical distribution of PAH abundances in Titan's upper atmosphere. PAHs have been found to be present in large concentrations, about (2-3) × 10(exp 4) particles / cubic cm. The identified PAHs have 9-96 carbons, with a concentration-weighted average of 34 carbons. The mean mass is approx 430 u; the mean area is about 0.53 sq. nm; they are formed by 10-11 rings on average, and about one-third of them contain nitrogen atoms. Recently, benzene together with light aromatic species as well as small concentrations of heavy positive and negative ions have been detected in Titan's upper atmosphere. We suggest that the large concentrations of PAHs found here are the neutral counterpart of those positive and negative ions, which hence supports the theory that the origin of Titan main haze layer is located in the upper atmosphere.

  2. Fusion Rings for Quantum Groups

    DEFF Research Database (Denmark)

    Andersen, Henning Haahr; Stroppel, Catharina

    2012-01-01

    We study the fusion rings of tilting modules for a quantum group at a root of unity modulo the tensor ideal of negligible tilting modules. We identify them in type A with the combinatorial rings from [12] and give a similar description of the sp2n-fusion ring in terms of noncommutative symmetric...

  3. RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Pugliese, D.; Stuchlík, Z., E-mail: d.pugliese.physics@gmail.com, E-mail: zdenek.stuchlik@physics.cz [Institute of Physics and Research Centre of Theoretical Physics and Astrophysics, Faculty of Philosophy and Science, Silesian University in Opava, Bezručovo náměstí 13, CZ-74601 Opava (Czech Republic)

    2015-12-15

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  4. Fate of polycyclic aromatic hydrocarbons during composting of oily sludge.

    Science.gov (United States)

    Kriipsalu, M; Marques, M; Hogland, W; Nammari, D R

    2008-01-01

    In order to assess the effectiveness of aerobic degradation with emphasis on the 16 U.S. EPA priority polycyclic aromatic hydrocarbons (PAH), oily sludge generated by a dissolved air flotation flocculation unit of a wastewater treatment plant in a petroleum refinery was amended with remediated oil-contaminated soil and non-mature garden waste compost 40:40:20 (wet weight) respectively. About 21 t of the mixture with a top-layer formed by 30 cm of remediated soil was treated in a 28 m3 air-forced reactor. The PAH concentration was monitored for 370 days. In the top-layer, a reduction of 88 % of the total extractable PAH was measured at day 62 and a final reduction of 93% at day 370. In the mixture, a reduction of 72% in total PAH was measured at day 62, followed by fluctuation in concentration with a final measured reduction of 53% at day 370. The analysis of individual PAH in the mixture suggested that volatilization and biodegradation are the main mechanisms responsible for the reduction of 2 ring PAH and 3-4 ring PAH, respectively. Fluctuation of 5-6 ring PAH concentrations with increase observed at the end of the period might result from a combination of the following: (i) sequestration of large PAH in the organic matrix (reducing bioavailability, biodegradability and eventually, extractability) and desorption as composting progresses; (ii) heterogeneous distribution of the stable large PAH in the mixture, thus affecting sampling. It was concluded that one-time composting in static-aerated biopiles with organic amendments as the sole strategy to treat oily sludge is very effective in reducing the content of 2-4 ring PAH, but it is not effective in reducing the content of 5-6 ring PAHs, even after a relatively long time span (370 d). The concentrations measured in the remediated soil that formed the top layer after 62 days of composting suggests that further relevant reduction of residual PAH (89% of total PAH and 69% of 5-6 ring PAH) can be obtained if the

  5. Fast cooling of bunches in compton storage rings*

    CERN Document Server

    Bulyak, E; Zimmermann, F

    2011-01-01

    We propose an enhancement of laser radiative cooling by utilizing laser pulses of small spatial and temporal dimensions, which interact only with a fraction of an electron bunch circulating in a storage ring. We studied the dynamics of such electron bunch when laser photons scatter off the electrons at a collision point placed in a section with nonzero dispersion. In this case of ‘asymmetric cooling’, the stationary energy spread is much smaller than under conditions of regular scattering where the laser spot size is larger than the electron beam; and the synchrotron oscillations are damped faster. Coherent oscillations of large amplitude may be damped within one synchrotron period, so that this method can support the rapid successive injection of many bunches in longitudinal phase space for stacking purposes. Results of extensive simulations are presented for the performance optimization of Compton gamma-ray sources and damping rings.

  6. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    KAUST Repository

    Li, Yang

    2015-04-28

    © 2015 AIP Publishing LLC. The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Green\\'s function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  7. Ring Confidential Transactions

    Directory of Open Access Journals (Sweden)

    Shen Noether

    2016-12-01

    Full Text Available This article introduces a method of hiding transaction amounts in the strongly decentralized anonymous cryptocurrency Monero. Similar to Bitcoin, Monero is a cryptocurrency which is distributed through a proof-of-work “mining” process having no central party or trusted setup. The original Monero protocol was based on CryptoNote, which uses ring signatures and one-time keys to hide the destination and origin of transactions. Recently the technique of using a commitment scheme to hide the amount of a transaction has been discussed and implemented by Bitcoin Core developer Gregory Maxwell. In this article, a new type of ring signature, A Multilayered Linkable Spontaneous Anonymous Group signature is described which allows one to include a Pedersen Commitment in a ring signature. This construction results in a digital currency with hidden amounts, origins and destinations of transactions with reasonable efficiency and verifiable, trustless coin generation. The author would like to note that early drafts of this were publicized in the Monero Community and on the #bitcoin-wizards IRC channel. Blockchain hashed drafts are available showing that this work was started in Summer 2015, and completed in early October 2015. An eprint is also available at http://eprint.iacr.org/2015/1098.

  8. Theoretical studies of the structures and local aromaticity of conjugated polycyclic hydrocarbons using three aromatic indices

    Science.gov (United States)

    Sakai, Shogo; Kita, Yuki

    2013-07-01

    The structures and local aromaticity of some conjugated polycyclic hydrocarbons (from the butadienoid, acene, and phenylene series) are studied using ab initio MO and density functional methods. The aromaticities of the molecules are estimated using three indices: the nucleus-independent chemical shift (NICS), the harmonic oscillator model of aromaticity (HOMA), and the index of deviation from aromaticity (IDA). Assessment of the relationships between the structures and the aromatic indices shows that the IDA values correspond best to the characteristics of the conjugated polycyclic hydrocarbon structures.

  9. Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-coumaric acid and related aromatic acids.

    Science.gov (United States)

    Tan, Kemin; Chang, Changsoo; Cuff, Marianne; Osipiuk, Jerzy; Landorf, Elizabeth; Mack, Jamey C; Zerbs, Sarah; Joachimiak, Andrzej; Collart, Frank R

    2013-10-01

    Lignin comprises 15-25% of plant biomass and represents a major environmental carbon source for utilization by soil microorganisms. Access to this energy resource requires the action of fungal and bacterial enzymes to break down the lignin polymer into a complex assortment of aromatic compounds that can be transported into the cells. To improve our understanding of the utilization of lignin by microorganisms, we characterized the molecular properties of solute binding proteins of ATP-binding cassette transporter proteins that interact with these compounds. A combination of functional screens and structural studies characterized the binding specificity of the solute binding proteins for aromatic compounds derived from lignin such as p-coumarate, 3-phenylpropionic acid and compounds with more complex ring substitutions. A ligand screen based on thermal stabilization identified several binding protein clusters that exhibit preferences based on the size or number of aromatic ring substituents. Multiple X-ray crystal structures of protein-ligand complexes for these clusters identified the molecular basis of the binding specificity for the lignin-derived aromatic compounds. The screens and structural data provide new functional assignments for these solute-binding proteins which can be used to infer their transport specificity. This knowledge of the functional roles and molecular binding specificity of these proteins will support the identification of the specific enzymes and regulatory proteins of peripheral pathways that funnel these compounds to central metabolic pathways and will improve the predictive power of sequence-based functional annotation methods for this family of proteins. Copyright © 2013 Wiley Periodicals, Inc.

  10. Catalytic ring opening of cyclic hydrocarbons in diesel fuels

    Energy Technology Data Exchange (ETDEWEB)

    Calemma, V.; Ferrari, M. [Eni S.p.A., San Donato Milanese (Italy). R and M Div.; Rabl, S.; Haas, A.; Santi, D.; Weitkamp, J. [Stuttgart Univ. (Germany). Inst. of Chemical Technology

    2013-11-01

    An approach for high-aromatic streams upgrading, allowing to meet future diesel quality standards, is saturation of the aromatic structures followed by the selective breaking of endocyclic C-C bonds of naphthenic structures so formed to produce alkanes with the same number of carbon atoms as the starting molecule ('selective ring opening, SRO'). Although theoretically, SRO is a promising route for upgrading low-value feeds to high-quality products, in practice, it continues to be a challenge owing to its complex chemistry. Product characteristics, do not only depend on the composition of the feed, but also on the operating conditions and the nature of the catalyst. Very recently, novel catalysts ('HIgh-PErformance Ring Opening Catalysts, HIPEROCs') were developed which allow a very selective ring opening of the model compound decalin to paraffins without degradation of the carbon number. The hydroconversion of dearomatized Light Cycle Oil (DeAr-LCO) over the abovementioned catalysts resulted in a remarkable change of the chemical structure of the feed with a strong decrease of naphthenic structures with two or more condensed rings and a concomitant increase of alkyl-substituted cyclohexanes and open-chain alkanes. The changes occurring in the chemical structures of feedstock during hydroconversion resulted in a remarkable increase of the Cetane Index of the products up to 11 units. In the present contribution, we examine the main factors affecting activity and selectivity of SRO catalysts in the light of the recent literature dealing with the subject and we report on the recent advances in hydroconversion of refinery cuts such as DeAr- LCO over HIPEROCs. (orig.)

  11. NSF tandem stack support structure deflection characteristics

    International Nuclear Information System (INIS)

    Cook, J.

    1979-12-01

    Results are reported of load tests carried out on the glass legs of the insulating stack of the 30 MV tandem Van de Graaff accelerator now under construction at Daresbury Laboratory. The tests to investigate the vulnerability of the legs when subjected to tensile stresses were designed to; establish the angle of rotation of the pads from which the stresses in the glass legs may be calculated, proof-test the structure and at the same time reveal any asymmetry in pad rotations or deflections, and to confirm the validity of the computer design analysis. (UK)

  12. Compliant Glass Seals for SOFC Stacks

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Yeong -Shyung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Choi, Jung-Pyung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xu, Wei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Stephens, Elizabeth V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Koeppel, Brian J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Stevenson, Jeffry W. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lara-Curzio, Edgar [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2014-04-30

    This report summarizes results from experimental and modeling studies performed by participants in the Solid-State Energy Conversion Alliance (SECA) Core Technology Program, which indicate that compliant glass-based seals offer a number of potential advantages over conventional seals based on de-vitrifying glasses, including reduced stresses during stack operation and thermal cycling, and the ability to heal micro-damage induced during thermal cycling. The properties and composition of glasses developed and/or investigated in these studies are reported, along with results from long-term (up to 5,800h) evaluations of seals based on a compliant glass containing ceramic particles or ceramic fibers.

  13. Improved Direct Methanol Fuel Cell Stack

    Science.gov (United States)

    Wilson, Mahlon S.; Ramsey, John C.

    2005-03-08

    A stack of direct methanol fuel cells exhibiting a circular footprint. A cathode and anode manifold, tie-bolt penetrations and tie-bolts are located within the circular footprint. Each fuel cell uses two graphite-based plates. One plate includes a cathode active area that is defined by serpentine channels connecting the inlet and outlet cathode manifold. The other plate includes an anode active area defined by serpentine channels connecting the inlet and outlet of the anode manifold, where the serpentine channels of the anode are orthogonal to the serpentine channels of the cathode. Located between the two plates is the fuel cell active region.

  14. Displacive phase transformations and generalized stacking faults

    Czech Academy of Sciences Publication Activity Database

    Paidar, Václav; Ostapovets, Andriy; Duparc, O. H.; Khalfallah, O.

    2012-01-01

    Roč. 122, č. 3 (2012), s. 490-492 ISSN 0587-4246. [International Symposium on Physics of Materials, ISPMA /12./. Praha, 04.09.2011-08.09.2011] R&D Projects: GA AV ČR IAA100100920 Institutional research plan: CEZ:AV0Z10100520 Keywords : ab-initio calculations * close-packed structures * generalized stacking faults * homogeneous deformation * lattice deformation * many-body potentials Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.531, year: 2012

  15. Fusion Rings for Quantum Groups

    DEFF Research Database (Denmark)

    Andersen, Henning Haahr; Stroppel, Catharina

    2014-01-01

    We study the fusion rings of tilting modules for a quantum group at a root of unity modulo the tensor ideal of negligible tilting modules. We identify them in type A with the combinatorial rings from Korff, C., Stroppel, C.: The sl(ˆn)k-WZNW fusion ring: a combinato-rial construction...... and a realisation as quotient of quantum cohomology. Adv. Math. 225(1), 200–268, (2010) and give a similar description of the sp2n-fusion ring in terms of non-commutative symmetric functions. Moreover we give a presentation of all fusion rings in classical types as quotients of polynomial rings. Finally we also...... compute the fusion rings for type G2....

  16. Ring-dot-shaped multilayer piezoelectric step-down transformers using PZT-based ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Insung; Joo, Hyeonkyu; Song, Jaesung; Jeong, Soonjong; Kim, Minsoo [Korea Electrotechnology Research Institute, Changwon (Korea, Republic of)

    2010-10-15

    In this study, multilayer piezo stack transformers for switching mode power supply (SMPS) application were manufactured using 0.01Pb(Ni{sub 1/3}Nb{sub 2/3})O{sub 3} - 0.08Pb(Mn{sub 1/3}Nb{sub 2/3})O{sub 3} - 0.91Pb(Zr{sub 0.505}Ti{sub 0.495})O{sub 3} (PNN-PMN-PZT) ceramics. The voltage ratio of a multilayer piezo stack transformer showed a maximum at the resonance frequency of the input and then increased with increasing load resistance. The efficiency of the multilayer piezo stack transformer showed its highest value at around the matching load. The output power increased with increasing input voltage. The temperature of the multilayer piezo stack transformer increased with increasing output power and load resistance. The manufactured multilayer piezo stack transformer could be used up to 5 W at a resonance frequency of 70.25 kHz for SMPS application because the temperature rise from room temperature is believed to about 20 .deg. C and because the transformer is electrically stable. The newly-developed ring-dot-type step-down multilayer piezo stack transformer shows possible applications as SMPS for electronic power sources with excellent input-to-output properties.

  17. Ring-dot-shaped multilayer piezoelectric step-down transformers using PZT-based ceramics

    International Nuclear Information System (INIS)

    Kim, Insung; Joo, Hyeonkyu; Song, Jaesung; Jeong, Soonjong; Kim, Minsoo

    2010-01-01

    In this study, multilayer piezo stack transformers for switching mode power supply (SMPS) application were manufactured using 0.01Pb(Ni 1/3 Nb 2/3 )O 3 - 0.08Pb(Mn 1/3 Nb 2/3 )O 3 - 0.91Pb(Zr 0.505 Ti 0.495 )O 3 (PNN-PMN-PZT) ceramics. The voltage ratio of a multilayer piezo stack transformer showed a maximum at the resonance frequency of the input and then increased with increasing load resistance. The efficiency of the multilayer piezo stack transformer showed its highest value at around the matching load. The output power increased with increasing input voltage. The temperature of the multilayer piezo stack transformer increased with increasing output power and load resistance. The manufactured multilayer piezo stack transformer could be used up to 5 W at a resonance frequency of 70.25 kHz for SMPS application because the temperature rise from room temperature is believed to about 20 .deg. C and because the transformer is electrically stable. The newly-developed ring-dot-type step-down multilayer piezo stack transformer shows possible applications as SMPS for electronic power sources with excellent input-to-output properties.

  18. Operation of a Five-Stage 40,000-CM2-Area Insulator Stack at 158 KV/CM

    International Nuclear Information System (INIS)

    Anderson RA; Clark, Robert E; Corcoran, PA; Douglas, John W; Gilliland, TL; Horry, ML; Hughes, Thomas P; Ives, HC; Long, FW; Martin, TH; McDaniel, DH; Milton, Osborne; Mostrom, Michael A; Seamen, JF; Shoup, RW; Smith, ID; Smith, JW; Spielman, RB; Struve, KW; Stygar, WA; Vogtlin, George E; Wagoner, TC; Yamamoto, Osamu

    1999-01-01

    We have demonstrated successful operation of a 3.35- m-diameter insulator stack at 158 kV/cm on five consecutive Z-accelerator shots. The stack consisted of five +45 deg;-profile 5.715-cm-thick cross-linked-polystyrene (Rexolite- 1422) insulator rings, and four anodized- aluminum grading rings shaped to reduce the field at cathode triple junctions. The width of the voltage pulse at 89% of peak was 32 ns. We compare this result to a new empirical flashover relation developed from previous small-insulator experiments conducted with flat unanodized electrodes. The relation predicts a 50% flashover probability for a Rexolite insulator during an applied voltage pulse when E max e -0.27/d (t eff C) 1/10 = 224, where E max is the peak mean electric field (kV/cm), d is the insulator thickness (cm), t eff is the effective pulse width (ps), and C is the insulator circumference (cm). We find the Z stack can be operated at a stress at least 19% higher than predicted. This result, and previous experiments conducted by Vogtlin, suggest anodized electrodes with geometries that reduce the field at both anode and cathode triple junctions would improve the flashover strength of +45 deg; insulators

  19. A new slip stacking RF system for a twofold power upgrade of Fermilab's Accelerator Complex

    Energy Technology Data Exchange (ETDEWEB)

    Madrak, Robyn [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

    2014-05-15

    Fermilab's Accelerator Complex has been recently upgraded, in order to increase the 120 GeV proton beam power on target from about 400 kW to over 700 kW for NOvA and other future intensity frontier experiments. One of the key ingredients of the upgrade is the offloading of some Main Injector synchrotron operations - beam injection and RF manipulation called ''slip stacking'' - to the 8GeV Recycler Ring, which had until recently been used only for low-intensity antiproton storage and cooling. This required construction of two new 53 MHz RF systems for the slip-stacking manipulations. The cavities operate simultaneously at Vpeak ≲150 kV, but at slightly different frequencies (Δf=1260 Hz). Their installation was completed in September 2013. This article describes the novel solutions used in the design of the new cavities, their tuning system, and the associated high power RF system. First results showing effective operation of the RF system, beam capture and successful slip-stacking in the Recycler Ring are presented.

  20. Cooldown and warmup computer simulations of the SSC ring

    International Nuclear Information System (INIS)

    Carcagno, R.H.; Schiesser, W.E.; Yuecel, A.

    1991-06-01

    The Superconducting Super Collider (SSC) consists of two stacked rings of superconducting magnets; each ring is about 86 km in circumference. The total mass to be cooled to liquid helium temperature amounts to about 1 x 10 8 kg, and the total helium inventory under nominal operating conditions (4.15 K and 4 atm) is about 2.8 x 10 5 kg. The cooldown and warmup process of a long string of magnets has to be well understood in order to design a cryogenic system that can satisfy the requirements of helium inventory handling, magnet temperature gradients, and process time for the different cooldown and warmup scenarios being planned for the SSC. A system that can be convincingly simulated can be understood, controlled, operated and improved in a systematic way. In this paper, we introduce two numerical models, a lumped model and a distributed model, for cooldown and warmup of the SSC ring, and present simulation results for an SSC string (4320 m long, or 1/20th of the full ring circumference). The models cover the temperature range between room and liquid helium temperature; the distributed model includes radial temperature distribution in the cold mass. Low temperature range simulations are particularly important to study inventory handling strategies because of the relationship between rapid changes in density and the system mass flow rate. 9 refs., 9 figs

  1. Tree Rings: Timekeepers of the Past.

    Science.gov (United States)

    Phipps, R. L.; McGowan, J.

    One of a series of general interest publications on science issues, this booklet describes the uses of tree rings in historical and biological recordkeeping. Separate sections cover the following topics: dating of tree rings, dating with tree rings, tree ring formation, tree ring identification, sample collections, tree ring cross dating, tree…

  2. Computerized plutonium laboratory-stack monitoring system

    International Nuclear Information System (INIS)

    Stafford, R.G.; DeVore, R.K.

    1977-01-01

    The Los Alamos Scientific Laboratory has recently designed and constructed a Plutonium Research and Development Facility to meet design criteria imposed by the United States Energy Research and Development Administration. A primary objective of the design criteria is to assure environmental protection and to reliably monitor plutonium effluent via the ventilation exhaust systems. A state-of-the-art facility exhaust air monitoring system is described which establishes near ideal conditions for evaluating plutonium activity in the stack effluent. Total and static pressure sensing manifolds are incorporated to measure average velocity and integrated total discharge air volume. These data are logged at a computer which receives instrument data through a multiplex scanning system. A multipoint isokinetic sampling assembly with associated instrumentation is described. Continuous air monitors have been designed to sample from the isokinetic sampling assembly and transmit both instantaneous and integrated stack effluent concentration data to the computer and various cathode ray tube displays. The continuous air monitors also serve as room air monitors in the plutonium facility with the primary objective of timely evacuation of personnel if an above tolerance airborne plutonium concentration is detected. Several continuous air monitors are incorporated in the ventilation system to assist in identification of release problem areas

  3. Control of heteroepitaxial stacking by substrate miscut

    International Nuclear Information System (INIS)

    Bonham, S.W.; Flynn, C.P.

    1998-01-01

    We report studies of fcc epitaxial crystals, grown on Nb(110), in which the Nb surface offers a template for selection between the two alternative stackings, ABCA hor-ellipsis and ACBA hor-ellipsis of the fcc close-packed planes. The Nb templates were grown epitaxially about 500 Angstrom thick on sapphire (11 bar 20), and the fcc material studied was Cu 3 Au. From symmetry it is not possible for the perfect bcc (110) surface to cause any such selection, which is here attributed instead to vicinal miscut: the logarithm of the stacking ratio must be even in miscut along [001] and odd in miscut along [1 bar 10]. We find that the measured selectivity is small for miscuts less than about 0.5 degree, but approaches a factor 10 3 for miscuts along [1 bar 10] greater than about 1 degree. A mechanism for the selection process is discussed in terms of fingered mesostructures that grow on Nb(110) in this regime, as observed first by Zhou, Bonham, and Flynn. copyright 1998 The American Physical Society

  4. Generalized stacking fault energies of alloys.

    Science.gov (United States)

    Li, Wei; Lu, Song; Hu, Qing-Miao; Kwon, Se Kyun; Johansson, Börje; Vitos, Levente

    2014-07-02

    The generalized stacking fault energy (γ surface) provides fundamental physics for understanding the plastic deformation mechanisms. Using the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation, we calculate the γ surface for the disordered Cu-Al, Cu-Zn, Cu-Ga, Cu-Ni, Pd-Ag and Pd-Au alloys. Studying the effect of segregation of the solute to the stacking fault planes shows that only the local chemical composition affects the γ surface. The calculated alloying trends are discussed using the electronic band structure of the base and distorted alloys.Based on our γ surface results, we demonstrate that the previous revealed 'universal scaling law' between the intrinsic energy barriers (IEBs) is well obeyed in random solid solutions. This greatly simplifies the calculations of the twinning measure parameters or the critical twinning stress. Adopting two twinnability measure parameters derived from the IEBs, we find that in binary Cu alloys, Al, Zn and Ga increase the twinnability, while Ni decreases it. Aluminum and gallium yield similar effects on the twinnability.

  5. Uptake, translocation, and accumulation of polycyclic aromatic hydrocarbons in vegetation

    International Nuclear Information System (INIS)

    Walton, B.T.; Hoylman, A.M.

    1992-12-01

    A review of the scientific literature was conducted to determine the potential for plants to take up polycyclic aromatic hydrocarbons (PAHs) from soils and the possibility of PAH movement from soils into vegetation at waste disposal sites associated with manufactured gas plants (MGP). Studies published since 1983 are considered in conjunction with previous publications and literature reviews on PAH uptake by vegetation. These studies indicate that the extent to which sorption to roots occurs is likely to be influenced by species-specific properties of the plant, physicochemical properties of each PAH, soil properties, and biodegradation rates of the PAHs in soil. PAHs containing five or more rings may sorb to plant roots but are not expected to be translocated to foliage in other than trace quantities. Uptake of naphthalene, anthracene, and benzo[a]anthracene by roots has been reported in the literature. In addition, eight PAHs of three and four rings (acenapthene, fluorene, phenanthrene, anthracene, fluoranthene, pyrene, benz[a]anthracene, and chrysene) were isolated from leaves and roots of four plant species collected near a coal tar disposal trench in eastern Tennessee. A total concentration of 5519 ng/g was observed for the eight PAHs in roots of lamb's quarters. Coal tar, in soil, was implicated as the source of PAHs in the four plant species

  6. Functional diversity of bacterial genes associated with aromatic hydrocarbon degradation in anthropogenic dark earth of Amazonia

    Directory of Open Access Journals (Sweden)

    Mariana Gomes Germano

    2012-05-01

    Full Text Available The objective of this work was to evaluate the catabolic gene diversity for the bacterial degradation of aromatic hydrocarbons in anthropogenic dark earth of Amazonia (ADE and their biochar (BC. Functional diversity analyses in ADE soils can provide information on how adaptive microorganisms may influence the fertility of soils and what is their involvement in biogeochemical cycles. For this, clone libraries containing the gene encoding for the alpha subunit of aromatic ring-hydroxylating dioxygenases (α-ARHD bacterial gene were constructed, totaling 800 clones. These libraries were prepared from samples of an ADE soil under two different land uses, located at the Caldeirão Experimental Station - secondary forest (SF and agriculture (AG -, and the biochar (SF_BC and AG_BC, respectively. Heterogeneity estimates indicated greater diversity in BC libraries; and Venn diagrams showed more unique operational protein clusters (OPC in the SF_BC library than the ADE soil, which indicates that specific metabolic processes may occur in biochar. Phylogenetic analysis showed unidentified dioxygenases in ADE soils. Libraries containing functional gene encoding for the alpha subunit of the aromatic ring-hydroxylating dioxygenases (ARHD gene from biochar show higher diversity indices than those of ADE under secondary forest and agriculture.

  7. Adsorption behaviour of aromatic in different activated carbon: (Frendlich and Langmuir models)

    International Nuclear Information System (INIS)

    Nouri, S.; Haghseresht, F.; Lu, Max

    2001-01-01

    Adsorption behavior of p-Cresol, Benzoic acid and nitrobenzene on the two different activated carbons was carried out at 301 K and at controlled ph conditions. In acidic conditions, well below the pK a of all solutes, it was observed that the adsorbate solubility and the electron density of its aromatic ring were the influencing factors on the extent of the adsorption by affecting the extent of London dispersion forces. In higher solution ph conditions, on the other hand, it was found that the electrostatic forces played a significant role on the extent on adsorption. The Effect of ph must be considered from its combined effects on the carbon surface and on the solute molecules. It was found that the uptake of the molecular form of the aromatic solute was dependent on the substituents of the aromatic ring. Adsorption of the solutes in higher ph values was found to be dependent on the concentration of anionic form of the solutes. All isotherms on the F 100 and S E I were fitted into Langmuir and Freundlich isotherm Equations, respectively to find the relative factors

  8. SOR-ring failure

    International Nuclear Information System (INIS)

    Kitamura, Hideo

    1981-01-01

    It was in the autumn of 1976 that the SOR-ring (synchrotron radiation storage ring) has commenced the regular operation. Since then, the period when the operation was interrupted due to the failures of SOR-ring itself is in total about 8 weeks. Failures and accidents have occurred most in the vacuum system. Those failure experiences are described on the vacuum, electromagnet, radio-frequency acceleration and beam transport systems with their interrupted periods. The eleven failures in the vacuum system have been reported, such as bellows breakage in a heating-evacuating period, leakage from the bellows of straight-through valves (made in U.S.A. and Japan), and leakage from the joint flange of the vacuum system. The longest interruption was 5 weeks due to the failure of a domestically manufactured straight-through valve. The failures of the electromagnet system involve the breakage in a cooling water system, short circuit of a winding in the Q magnet power transformer, blow of a fuse protecting the deflection magnet power source by the current less than the rating, and others. The failures of the RF acceleration system include the breakage of an output electronic tube the breakage of a cavity ceramic, RF voltage fluctuation due to the contact deterioration at a cavity electrode, and the failure of grid bias power source. It is necessary to select the highly reliable components for the vacuum system because the vacuum system failures require longer time for recovery, and very likely to induce secondary and tertiary failures. (Wakatsuki, Y.)

  9. Description of gasket failure in a 7 cell PEMFC stack

    Energy Technology Data Exchange (ETDEWEB)

    Husar, Attila; Serra, Maria [Institut de Robotica i Informatica Industrial, Parc Tecnologic de Barcelona, Edifici U, C. Llorens i Artigas, 4-6, 2a Planta, 08028 Barcelona (Spain); Kunusch, Cristian [Laboratorio de Electronica Industrial Control e Instrumentacion, Facultad de Ingenieria, UNLP (Argentina)

    2007-06-10

    This article presents the data and the description of a fuel cell stack that failed due to gasket degradation. The fuel cell under study is a 7 cell stack. The unexpected change in several variables such as temperature, pressure and voltage indicated the possible failure of the stack. The stack was monitored over a 6 h period in which data was collected and consequently analyzed to conclude that the fuel cell stack failed due to a crossover leak on the anode inlet port located on the cathode side gasket of cell 2. This stack failure analysis revealed a series of indicators that could be used by a super visional controller in order to initiate a shutdown procedure. (author)

  10. Simple Stacking Methods for Silicon Micro Fuel Cells

    Directory of Open Access Journals (Sweden)

    Gianmario Scotti

    2014-08-01

    Full Text Available We present two simple methods, with parallel and serial gas flows, for the stacking of microfabricated silicon fuel cells with integrated current collectors, flow fields and gas diffusion layers. The gas diffusion layer is implemented using black silicon. In the two stacking methods proposed in this work, the fluidic apertures and gas flow topology are rotationally symmetric and enable us to stack fuel cells without an increase in the number of electrical or fluidic ports or interconnects. Thanks to this simplicity and the structural compactness of each cell, the obtained stacks are very thin (~1.6 mm for a two-cell stack. We have fabricated two-cell stacks with two different gas flow topologies and obtained an open-circuit voltage (OCV of 1.6 V and a power density of 63 mW·cm−2, proving the viability of the design.

  11. Proton storage rings

    International Nuclear Information System (INIS)

    Rau, R.R.

    1978-04-01

    A discussion is given of proton storage ring beam dynamic characteristics. Topics considered include: (1) beam energy; (2) beam luminosity; (3) limits on beam current; (4) beam site; (5) crossing angle; (6) beam--beam interaction; (7) longitudinal instability; (8) effects of scattering processes; (9) beam production; and (10) high magnetic fields. Much of the discussion is related to the design parameters of ISABELLE, a 400 x 400 GeV proton---proton intersecting storage accelerator to be built at Brookhaven National Laboratory

  12. Ring-constrained Join

    DEFF Research Database (Denmark)

    Yiu, Man Lung; Karras, Panagiotis; Mamoulis, Nikos

    2008-01-01

    . This new operation has important applications in decision support, e.g., placing recycling stations at fair locations between restaurants and residential complexes. Clearly, RCJ is defined based on a geometric constraint but not on distances between points. Thus, our operation is fundamentally different......We introduce a novel spatial join operator, the ring-constrained join (RCJ). Given two sets P and Q of spatial points, the result of RCJ consists of pairs (p, q) (where p ε P, q ε Q) satisfying an intuitive geometric constraint: the smallest circle enclosing p and q contains no other points in P, Q...

  13. Femtoslicing in Storage Rings

    CERN Document Server

    Khan, Shaukat

    2005-01-01

    The generation of ultrashort synchrotron radiation pulses by laser-induced energy modulation of electrons and their subsequent transverse displacement, now dubbed "femtoslicing," was demonstrated at the Advanced Light Source in Berkeley. More recently, a femtoslicing user facility was commissioned at the BESSY storage ring in Berlin, and another project is in progress at the Swiss Light Source. The paper reviews the principle of femtoslicing, its merits and shortcomings, as well as the variations of its technical implementation. Various diagnostics techniques to detect successful laser-electron interaction are discussed and experimental results are presented.

  14. Viscosity of ring polymer melts

    KAUST Repository

    Pasquino, Rossana

    2013-10-15

    We have measured the linear rheology of critically purified ring polyisoprenes, polystyrenes, and polyethyleneoxides of different molar masses. The ratio of the zero-shear viscosities of linear polymer melts η0,linear to their ring counterparts η0,ring at isofrictional conditions is discussed as a function of the number of entanglements Z. In the unentangled regime η0,linear/η 0,ring is virtually constant, consistent with the earlier data, atomistic simulations, and the theoretical expectation η0,linear/ η0,ring = 2. In the entanglement regime, the Z-dependence of ring viscosity is much weaker than that of linear polymers, in qualitative agreement with predictions from scaling theory and simulations. The power-law extracted from the available experimental data in the rather limited range 1 < Z < 20, η0,linear/η0,ring ∼ Z 1.2±0.3, is weaker than the scaling prediction (η0,linear/η0,ring ∼ Z 1.6±0.3) and the simulations (η0,linear/ η0,ring ∼ Z2.0±0.3). Nevertheless, the present collection of state-of-the-art experimental data unambiguously demonstrates that rings exhibit a universal trend clearly departing from that of their linear counterparts, and hence it represents a major step toward resolving a 30-year-old problem. © 2013 American Chemical Society.

  15. Viscosity of ring polymer melts

    KAUST Repository

    Pasquino, Rossana; Vasilakopoulos, Thodoris C.; Jeong, Youncheol; Lee, Hyojoon; Rogers, Simon A.; Sakellariou, Georgios; Allgaier, Jü rgen B.; Takano, Atsushi; Brá s, Ana Rita E; Chang, Taihyun; Gooß en, Sebastian; Pyckhout-Hintzen, Wim; Wischnewski, Andreas; Hadjichristidis, Nikolaos; Richter, Dieter R.; Rubinstein, Michael H.; Vlassopoulos, Dimitris

    2013-01-01

    We have measured the linear rheology of critically purified ring polyisoprenes, polystyrenes, and polyethyleneoxides of different molar masses. The ratio of the zero-shear viscosities of linear polymer melts η0,linear to their ring counterparts η0,ring at isofrictional conditions is discussed as a function of the number of entanglements Z. In the unentangled regime η0,linear/η 0,ring is virtually constant, consistent with the earlier data, atomistic simulations, and the theoretical expectation η0,linear/ η0,ring = 2. In the entanglement regime, the Z-dependence of ring viscosity is much weaker than that of linear polymers, in qualitative agreement with predictions from scaling theory and simulations. The power-law extracted from the available experimental data in the rather limited range 1 < Z < 20, η0,linear/η0,ring ∼ Z 1.2±0.3, is weaker than the scaling prediction (η0,linear/η0,ring ∼ Z 1.6±0.3) and the simulations (η0,linear/ η0,ring ∼ Z2.0±0.3). Nevertheless, the present collection of state-of-the-art experimental data unambiguously demonstrates that rings exhibit a universal trend clearly departing from that of their linear counterparts, and hence it represents a major step toward resolving a 30-year-old problem. © 2013 American Chemical Society.

  16. Alpha - Skew Pi - Armendariz Rings

    Directory of Open Access Journals (Sweden)

    Areej M Abduldaim

    2018-03-01

    Full Text Available In this article we introduce a new concept called Alpha-skew Pi-Armendariz rings (Alpha - S Pi - ARas a generalization of the notion of Alpha-skew Armendariz rings.Another important goal behind studying this class of rings is to employ it in order to design a modern algorithm of an identification scheme according to the evolution of using modern algebra in the applications of the field of cryptography.We investigate general properties of this concept and give examples for illustration. Furthermore, this paperstudy the relationship between this concept and some previous notions related to Alpha-skew Armendariz rings. It clearly presents that every weak Alpha-skew Armendariz ring is Alpha-skew Pi-Armendariz (Alpha-S Pi-AR. Also, thisarticle showsthat the concepts of Alpha-skew Armendariz rings and Alpha-skew Pi- Armendariz rings are equivalent in case R is 2-primal and semiprime ring.Moreover, this paper proves for a semicommutative Alpha-compatible ringR that if R[x;Alpha] is nil-Armendariz, thenR is an Alpha-S Pi-AR. In addition, if R is an Alpha - S Pi -AR, 2-primal and semiprime ring, then N(R[x;Alpha]=N(R[x;Alpha]. Finally, we look forwardthat Alpha-skew Pi-Armendariz rings (Alpha-S Pi-ARbe more effect (due to their properties in the field of cryptography than Pi-Armendariz rings, weak Armendariz rings and others.For these properties and characterizations of the introduced concept Alpha-S Pi-AR, we aspire to design a novel algorithm of an identification scheme.

  17. Development of the electric utility dispersed use PAFC stack

    Energy Technology Data Exchange (ETDEWEB)

    Horiuchi, Hiroshi; Kotani, Ikuo [Mitsubishi Electric Co., Kobe (Japan); Morotomi, Isamu [Kansai Electric Power Co., Hyogo (Japan)] [and others

    1996-12-31

    Kansai Electric Power Co. and Mitsubishi Electric Co. have been developing the electric utility dispersed use PAFC stack operated under the ambient pressure. The new cell design have been developed, so that the large scale cell (1 m{sup 2} size) was adopted for the stack. To confirm the performance and the stability of the 1 m{sup 2} scale cell design, the short stack study had been performed.

  18. Stacked Heterogeneous Neural Networks for Time Series Forecasting

    Directory of Open Access Journals (Sweden)

    Florin Leon

    2010-01-01

    Full Text Available A hybrid model for time series forecasting is proposed. It is a stacked neural network, containing one normal multilayer perceptron with bipolar sigmoid activation functions, and the other with an exponential activation function in the output layer. As shown by the case studies, the proposed stacked hybrid neural model performs well on a variety of benchmark time series. The combination of weights of the two stack components that leads to optimal performance is also studied.

  19. Model-Based, Closed-Loop Control of PZT Creep for Cavity Ring-Down Spectroscopy.

    Science.gov (United States)

    McCartt, A D; Ognibene, T J; Bench, G; Turteltaub, K W

    2014-09-01

    Cavity ring-down spectrometers typically employ a PZT stack to modulate the cavity transmission spectrum. While PZTs ease instrument complexity and aid measurement sensitivity, PZT hysteresis hinders the implementation of cavity-length-stabilized, data-acquisition routines. Once the cavity length is stabilized, the cavity's free spectral range imparts extreme linearity and precision to the measured spectrum's wavelength axis. Methods such as frequency-stabilized cavity ring-down spectroscopy have successfully mitigated PZT hysteresis, but their complexity limits commercial applications. Described herein is a single-laser, model-based, closed-loop method for cavity length control.

  20. Formation of Polycyclic Aromatic Hydrocarbons and Nitrogen Containing Polycyclic Aromatic Compounds in Titan's Atmosphere, the Interstellar Medium and Combustion

    Science.gov (United States)

    Landera, Alexander

    2013-12-01

    Several different mechanisms leading to the formation of (substituted) naphthalene and azanaphthalenes were examined using theoretical quantum chemical calculations. As a result, a series of novel synthetic routes to Polycyclic Aromatic Hydrocarbons (PAHs) and Nitrogen Containing Polycyclic Aromatic Compounds (N-PACs) have been proposed. On Earth, these aromatic compounds originate from incomplete combustion and are released into our environment, where they are known to be major pollutants, often with carcinogenic properties. In the atmosphere of a Saturn's moon Titan, these PAH and N-PACs are believed to play a critical role in organic haze formation, as well as acting as chemical precursors to biologically relevant molecules. The theoretical calculations were performed by employing the ab initio G3(MP2,CC)/B3LYP/6-311G** method to effectively probe the Potential Energy Surfaces (PES) relevant to the PAH and N-PAC formation. Following the construction of the PES, Rice-Ramsperger-Kassel-Markus (RRKM) theory was used to evaluate all unimolecular rate constants as a function of collision energy under single-collision conditions. Branching ratios were then evaluated by solving phenomenological rate expressions for the various product concentrations. The most viable pathways to PAH and N-PAC formation were found to be those where the initial attack by the ethynyl (C2H) or cyano (CN) radical toward a unsaturated hydrocarbon molecule led to the formation of an intermediate which could not effectively lose a hydrogen atom. It is not until ring cyclization has occurred, that hydrogen elimination leads to a closed shell product. By quenching the possibility of the initial hydrogen atom elimination, one of the most competitive processes preventing the PAH or N-PAC formation was avoided, and the PAH or N-PAC formation was allowed to proceed. It is concluded that these considerations should be taken into account when attempting to explore any other potential routes towards

  1. Turbostratic stacked CVD graphene for high-performance devices

    Science.gov (United States)

    Uemura, Kohei; Ikuta, Takashi; Maehashi, Kenzo

    2018-03-01

    We have fabricated turbostratic stacked graphene with high-transport properties by the repeated transfer of CVD monolayer graphene. The turbostratic stacked CVD graphene exhibited higher carrier mobility and conductivity than CVD monolayer graphene. The electron mobility for the three-layer turbostratic stacked CVD graphene surpassed 10,000 cm2 V-1 s-1 at room temperature, which is five times greater than that for CVD monolayer graphene. The results indicate that the high performance is derived from maintenance of the linear band dispersion, suppression of the carrier scattering, and parallel conduction. Therefore, turbostratic stacked CVD graphene is a superior material for high-performance devices.

  2. Method for monitoring stack gases for uranium activity

    International Nuclear Information System (INIS)

    Beverly, C.R.; Ernstberger, H.G.

    1988-01-01

    A method for sampling stack gases emanating from the purge cascade of a gaseous diffusion cascade system utilized to enrich uranium for determining the presence and extent of uranium in the stack gases in the form of gaseous uranium hexafluoride, is described comprising the steps of removing a side stream of gases from the stack gases, contacting the side stream of the stack gases with a stream of air sufficiently saturated with moisture for reacting with and converting any gaseous uranium hexafluroide contracted thereby in the side stream of stack gases to particulate uranyl fluoride. Thereafter contacting the side stream of stack gases containing the particulate uranyl fluoride with moving filter means for continuously intercepting and conveying the intercepted particulate uranyl fluoride away from the side stream of stack gases, and continually scanning the moving filter means with radiation monitoring means for sensing the presence and extent of particulate uranyl fluoride on the moving filter means which is indicative of the extent of particulate uranyl fluoride in the side stream of stack gases which in turn is indicative of the presence and extent of uranium hexafluoride in the stack gases

  3. Highly Efficient, Durable Regenerative Solid Oxide Stack, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Precision Combustion, Inc. (PCI) proposes to develop a highly efficient regenerative solid oxide stack design. Novel structural elements allow direct internal...

  4. Aromatic claw: A new fold with high aromatic content that evades structural prediction: Aromatic Claw

    Energy Technology Data Exchange (ETDEWEB)

    Sachleben, Joseph R. [Biomolecular NMR Core Facility, University of Chicago, Chicago Illinois; Adhikari, Aashish N. [Department of Chemistry, University of Chicago, Chicago Illinois; Gawlak, Grzegorz [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Hoey, Robert J. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Liu, Gaohua [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Joachimiak, Andrzej [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Biological Sciences Division, Argonne National Laboratory, Argonne Illinois; Montelione, Gaetano T. [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Sosnick, Tobin R. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Koide, Shohei [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Department of Biochemistry and Molecular Pharmacology and the Perlmutter Cancer Center, New York University School of Medicine, New York New York

    2016-11-10

    We determined the NMR structure of a highly aromatic (13%) protein of unknown function, Aq1974 from Aquifex aeolicus (PDB ID: 5SYQ). The unusual sequence of this protein has a tryptophan content five times the normal (six tryptophan residues of 114 or 5.2% while the average tryptophan content is 1.0%) with the tryptophans occurring in a WXW motif. It has no detectable sequence homology with known protein structures. Although its NMR spectrum suggested that the protein was rich in β-sheet, upon resonance assignment and solution structure determination, the protein was found to be primarily α-helical with a small two-stranded β-sheet with a novel fold that we have termed an Aromatic Claw. As this fold was previously unknown and the sequence unique, we submitted the sequence to CASP10 as a target for blind structural prediction. At the end of the competition, the sequence was classified a hard template based model; the structural relationship between the template and the experimental structure was small and the predictions all failed to predict the structure. CSRosetta was found to predict the secondary structure and its packing; however, it was found that there was little correlation between CSRosetta score and the RMSD between the CSRosetta structure and the NMR determined one. This work demonstrates that even in relatively small proteins, we do not yet have the capacity to accurately predict the fold for all primary sequences. The experimental discovery of new folds helps guide the improvement of structural prediction methods.

  5. NRL ion ring program

    International Nuclear Information System (INIS)

    Kapetanakos, C.A.; Golden, J.; Drobot, A.; Mahaffey, R.A.; Marsh, S.J.; Pasour, J.A.

    1977-01-01

    An experiment is under way to form a storng proton ring using the 200 ka, 1.2 MeV, 50 nsec hollow proton beam recently generated at NRL. The 5 m long magnetic field configuration consists of a magnetic cusp, a compressing magnetic field, a gate field and a magnetic mirror. The midplane value of the magnetic mirror is such that the major radius of the ring will be about 10 cm. The degree of field reversal that will be achieved with 5 x 10 16 protons per pulse from the existing beam depends upon the field reversal is possible with the 600 kA proton beam that would be generated from the low inductance coaxial triode coupled to the upgraded Gamble II generator. The propagation and trapping of an intense proton beam in the experimental magnetic field configuration is investigated numerically. The results show that the self magnetic has a very pronounced effect on the dynamics of the gyrating protons

  6. Flexible ring seal

    International Nuclear Information System (INIS)

    Abbes, Claude; Gournier, Andre; Rouaud, Christian; Villepoix, Raymond de.

    1976-01-01

    The invention concerns a flexible metal ring seal, able to ensure a perfect seal between two bearings due to the crushing and elastic deformation properties akin to similar properties in elastomers. Various designs of seal of this kind are already known, particularly a seal made of a core formed by a helical wire spring with close-wound turns and with high axial compression ratio, closed on itself and having the shape of an annulus. This wire ring is surrounded by at least one envelope having at rest the shape of a toroidal surface of which the generating circle does not close on itself. In a particular design mode, the seal in question can include, around the internal spring, two envelopes of which one in contact with the spring is composed of a low ductility elastic metal, such as mild steel or stainless steel and the other is, on the contrary, made of a malleable metal, such as copper or nickel. The first envelope evenly distributes the partial crushing of the spring, when the seal is tightened, on the second envelope which closely fits the two surfaces between which the seal operates. The stress-crushing curve characteristic of the seal comprises two separate parts, the first with a relatively sharp slope corresponds to the start of the seal compression phase, enabling at least some of these curves to reach the requisite seal threshold very quickly, then, beyond this, a second part, practically flat, where the stress is appreciably constant for a wide operating bracket [fr

  7. Utilizing the σ-complex stability for quantifying reactivity in nucleophilic substitution of aromatic fluorides

    Directory of Open Access Journals (Sweden)

    Magnus Liljenberg

    2013-04-01

    Full Text Available A computational approach using density functional theory to compute the energies of the possible σ-complex reaction intermediates, the “σ-complex approach”, has been shown to be very useful in predicting regioselectivity, in electrophilic as well as nucleophilic aromatic substitution. In this article we give a short overview of the background for these investigations and the general requirements for predictive reactivity models for the pharmaceutical industry. We also present new results regarding the reaction rates and regioselectivities in nucleophilic substitution of fluorinated aromatics. They were rationalized by investigating linear correlations between experimental rate constants (k from the literature with a theoretical quantity, which we call the sigma stability (SS. The SS is the energy change associated with formation of the intermediate σ-complex by attachment of the nucleophile to the aromatic ring. The correlations, which include both neutral (NH3 and anionic (MeO− nucleophiles are quite satisfactory (r = 0.93 to r = 0.99, and SS is thus useful for quantifying both global (substrate and local (positional reactivity in SNAr reactions of fluorinated aromatic substrates. A mechanistic analysis shows that the geometric structure of the σ-complex resembles the rate-limiting transition state and that this provides a rationale for the observed correlations between the SS and the reaction rate.

  8. Magnetization of two coupled rings

    International Nuclear Information System (INIS)

    Avishai, Y; Luck, J M

    2009-01-01

    We investigate the persistent currents and magnetization of a mesoscopic system consisting of two clean metallic rings sharing a single contact point in a magnetic field. Many novel features with respect to the single-ring geometry are underlined, including the explicit dependence of wavefunctions on the Aharonov-Bohm fluxes, the complex pattern of two-fold and three-fold degeneracies, the key role of length and flux commensurability, and in the case of commensurate ring lengths the occurrence of idle levels which do not carry any current. Spin-orbit interactions, induced by the electric fields of charged wires threading the rings, give rise to a peculiar version of the Aharonov-Casher effect where, unlike for a single ring, spin is not conserved. Remarkably enough, this can only be realized when the Aharonov-Bohm fluxes in both rings are neither integer nor half-integer multiples of the flux quantum

  9. Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?

    Science.gov (United States)

    Kumar, Anand; Duran, Miquel; Solà, Miquel

    2017-07-05

    The bonding patterns in coronene are complicated and controversial as denoted by the lack of consensus of how its electronic structure should be described. Among the different proposed descriptions, the two most representative are those generated by Clar's aromatic π-sextet and adaptative natural density partitioning (AdNDP) models. Quantum-chemical calculations at the density functional theory level are performed to evaluate the model that gives a better representation of coronene. To this end, we analyse the molecular structure of coronene, we estimate the aromaticity of its inner and outer rings using various local aromaticity descriptors, and we assess its chemical reactivity from the study of the Diels-Alder reaction with cyclopentadiene. Results obtained are compared with those computed for naphthalene and phenanthrene. Our conclusion is that Clar's π-sextet model provides the representation of coronene that better describes the physicochemical behavior of this molecule. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  10. The synthesis of no-carrier-added DL-4-[18F]fluorodeprenyl via the nucleophilic aromatic substitution reaction

    International Nuclear Information System (INIS)

    Plenevaux, Alain; Guillaume, Marcel

    1991-01-01

    No-carrier-added DL-α-methyl-β-4-[ 18 F]fluorophenyl-N-methyl-N-propynylethylamine (DL-4-[ 18 F]fluorodeprenyl) was synthesized via a 3-step procedure. The overall yield was 11%, the synthesis time was 90 min and the specific activity >0.57 Ci/μmol (end of synthesis). This synthesis approach, the conversion of an aromatic aldehyde to a homologous methyl ketone, extends the flexibility of the nucleophilic aromatic substitution reaction by applying it to the synthesis of radiotracers which do not bear electron-withdrawing activating groups on the aromatic ring. The tissue distribution of DL-4-[ 18 F]fluorodeprenyl in mice at 1, 10 and 50 min was also measured and showed that metabolic defluorination was not significant. Clearance or radioactivity from brain after injection of DL-4-[ 18 F]fluorodeprenyl was more rapid than that previously observed for [ 11 C]L-deprenyl. (author)

  11. Polycyclic aromatic hydrocarbons (PAH) formation from the pyrolysis of different municipal solid waste fractions.

    Science.gov (United States)

    Zhou, Hui; Wu, Chunfei; Onwudili, Jude A; Meng, Aihong; Zhang, Yanguo; Williams, Paul T

    2015-02-01

    The formation of 2-4 ring polycyclic aromatic hydrocarbons (PAH) from the pyrolysis of nine different municipal solid waste fractions (xylan, cellulose, lignin, pectin, starch, polyethylene (PE), polystyrene (PS), polyvinyl chloride (PVC), and polyethylene terephthalate (PET)) were investigated in a fixed bed furnace at 800 °C. The mass distribution of pyrolysis was also reported. The results showed that PS generated the most total PAH, followed by PVC, PET, and lignin. More PAH were detected from the pyrolysis of plastics than the pyrolysis of biomass. In the biomass group, lignin generated more PAH than others. Naphthalene was the most abundant PAH, and the amount of 1-methynaphthalene and 2-methynaphthalene was also notable. Phenanthrene and fluorene were the most abundant 3-ring PAH, while benzo[a]anthracene and chrysene were notable in the tar of PS, PVC, and PET. 2-ring PAH dominated all tar samples, and varied from 40 wt.% to 70 wt.%. For PS, PET and lignin, PAH may be generated directly from the aromatic structure of the feedstock. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. Polycyclic aromatic hydrocarbons (PAH) formation from the pyrolysis of different municipal solid waste fractions

    International Nuclear Information System (INIS)

    Zhou, Hui; Wu, Chunfei; Onwudili, Jude A.; Meng, Aihong; Zhang, Yanguo; Williams, Paul T.

    2015-01-01

    Highlights: • PAH from pyrolysis of 9 MSW fractions was investigated. • Pyrolysis of plastics released more PAH than that of biomass. • Naphthalene was the most abundant PAH in the tar. • The mechanism of PAH release from biomass and plastics was proposed. - Abstract: The formation of 2–4 ring polycyclic aromatic hydrocarbons (PAH) from the pyrolysis of nine different municipal solid waste fractions (xylan, cellulose, lignin, pectin, starch, polyethylene (PE), polystyrene (PS), polyvinyl chloride (PVC), and polyethylene terephthalate (PET)) were investigated in a fixed bed furnace at 800 °C. The mass distribution of pyrolysis was also reported. The results showed that PS generated the most total PAH, followed by PVC, PET, and lignin. More PAH were detected from the pyrolysis of plastics than the pyrolysis of biomass. In the biomass group, lignin generated more PAH than others. Naphthalene was the most abundant PAH, and the amount of 1-methynaphthalene and 2-methynaphthalene was also notable. Phenanthrene and fluorene were the most abundant 3-ring PAH, while benzo[a]anthracene and chrysene were notable in the tar of PS, PVC, and PET. 2-ring PAH dominated all tar samples, and varied from 40 wt.% to 70 wt.%. For PS, PET and lignin, PAH may be generated directly from the aromatic structure of the feedstock

  13. Polycyclic aromatic hydrocarbons (PAH) formation from the pyrolysis of different municipal solid waste fractions

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Hui [Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China); Energy Research Institute, University of Leeds, Leeds LS2 9JT (United Kingdom); Wu, Chunfei, E-mail: c.wu@leeds.ac.uk [Energy Research Institute, University of Leeds, Leeds LS2 9JT (United Kingdom); Onwudili, Jude A. [Energy Research Institute, University of Leeds, Leeds LS2 9JT (United Kingdom); Meng, Aihong [Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China); Zhang, Yanguo, E-mail: zhangyg@tsinghua.edu.cn [Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China); Williams, Paul T., E-mail: p.t.williams@leeds.ac.uk [Energy Research Institute, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2015-02-15

    Highlights: • PAH from pyrolysis of 9 MSW fractions was investigated. • Pyrolysis of plastics released more PAH than that of biomass. • Naphthalene was the most abundant PAH in the tar. • The mechanism of PAH release from biomass and plastics was proposed. - Abstract: The formation of 2–4 ring polycyclic aromatic hydrocarbons (PAH) from the pyrolysis of nine different municipal solid waste fractions (xylan, cellulose, lignin, pectin, starch, polyethylene (PE), polystyrene (PS), polyvinyl chloride (PVC), and polyethylene terephthalate (PET)) were investigated in a fixed bed furnace at 800 °C. The mass distribution of pyrolysis was also reported. The results showed that PS generated the most total PAH, followed by PVC, PET, and lignin. More PAH were detected from the pyrolysis of plastics than the pyrolysis of biomass. In the biomass group, lignin generated more PAH than others. Naphthalene was the most abundant PAH, and the amount of 1-methynaphthalene and 2-methynaphthalene was also notable. Phenanthrene and fluorene were the most abundant 3-ring PAH, while benzo[a]anthracene and chrysene were notable in the tar of PS, PVC, and PET. 2-ring PAH dominated all tar samples, and varied from 40 wt.% to 70 wt.%. For PS, PET and lignin, PAH may be generated directly from the aromatic structure of the feedstock.

  14. Durable solid oxide electrolysis cells and stacks

    Energy Technology Data Exchange (ETDEWEB)

    Ming Chen

    2010-08-15

    The purpose of this project was to make a substantial contribution to development of a cost competitive electrolysis technology based on solid oxide cells. The strategy was to address what had been identified as the key issues in previous research projects. Accordingly five lines of work were carried out in the here reported project: 1) Cell and stack element testing and post test characterization to identify major degradation mechanisms under electrolysis operation. 2) Development of interconnects and coatings to allow stable electrolysis operation at approx850 deg. C or above. 3) Development of seals with reduced Si emission. 4) Development of durable SOEC cathodes. 5) Modeling. Good progress has been made on several of the planned activities. The outcome and most important achievements of the current project are listed for the five lines of the work. (LN)

  15. ATLAS software stack on ARM64

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00529764; The ATLAS collaboration; Stewart, Graeme; Seuster, Rolf; Quadt, Arnulf

    2017-01-01

    This paper reports on the port of the ATLAS software stack onto new prototype ARM64 servers. This included building the “external” packages that the ATLAS software relies on. Patches were needed to introduce this new architecture into the build as well as patches that correct for platform specific code that caused failures on non-x86 architectures. These patches were applied such that porting to further platforms will need no or only very little adjustments. A few additional modifications were needed to account for the different operating system, Ubuntu instead of Scientific Linux 6 / CentOS7. Selected results from the validation of the physics outputs on these ARM 64-bit servers will be shown. CPU, memory and IO intensive benchmarks using ATLAS specific environment and infrastructure have been performed, with a particular emphasis on the performance vs. energy consumption.

  16. ATLAS software stack on ARM64

    Science.gov (United States)

    Smith, Joshua Wyatt; Stewart, Graeme A.; Seuster, Rolf; Quadt, Arnulf; ATLAS Collaboration

    2017-10-01

    This paper reports on the port of the ATLAS software stack onto new prototype ARM64 servers. This included building the “external” packages that the ATLAS software relies on. Patches were needed to introduce this new architecture into the build as well as patches that correct for platform specific code that caused failures on non-x86 architectures. These patches were applied such that porting to further platforms will need no or only very little adjustments. A few additional modifications were needed to account for the different operating system, Ubuntu instead of Scientific Linux 6 / CentOS7. Selected results from the validation of the physics outputs on these ARM 64-bit servers will be shown. CPU, memory and IO intensive benchmarks using ATLAS specific environment and infrastructure have been performed, with a particular emphasis on the performance vs. energy consumption.

  17. Stacked generalization: an introduction to super learning.

    Science.gov (United States)

    Naimi, Ashley I; Balzer, Laura B

    2018-04-10

    Stacked generalization is an ensemble method that allows researchers to combine several different prediction algorithms into one. Since its introduction in the early 1990s, the method has evolved several times into a host of methods among which is the "Super Learner". Super Learner uses V-fold cross-validation to build the optimal weighted combination of predictions from a library of candidate algorithms. Optimality is defined by a user-specified objective function, such as minimizing mean squared error or maximizing the area under the receiver operating characteristic curve. Although relatively simple in nature, use of Super Learner by epidemiologists has been hampered by limitations in understanding conceptual and technical details. We work step-by-step through two examples to illustrate concepts and address common concerns.

  18. Manifold seal structure for fuel cell stack

    Science.gov (United States)

    Collins, William P.

    1988-01-01

    The seal between the sides of a fuel cell stack and the gas manifolds is improved by adding a mechanical interlock between the adhesive sealing strip and the abutting surface of the manifolds. The adhesive is a material which can flow to some extent when under compression, and the mechanical interlock is formed providing small openings in the portion of the manifold which abuts the adhesive strip. When the manifolds are pressed against the adhesive strips, the latter will flow into and through the manifold openings to form buttons or ribs which mechanically interlock with the manifolds. These buttons or ribs increase the bond between the manifolds and adhesive, which previously relied solely on the adhesive nature of the adhesive.

  19. Actuators Using Piezoelectric Stacks and Displacement Enhancers

    Science.gov (United States)

    Bar-Cohen, Yoseph; Sherrit, Stewart; Bao, Xiaoqi; Badescu, Mircea; Lee, Hyeong Jae; Walkenmeyer, Phillip; Lih, Shyh-Shiuh

    2015-01-01

    Actuators are used to drive all active mechanisms including machines, robots, and manipulators to name a few. The actuators are responsible for moving, manipulating, displacing, pushing and executing any action that is needed by the mechanism. There are many types and principles of actuation that are responsible for these movements ranging from electromagnetic, electroactive, thermo-mechanic, piezoelectric, electrostrictive etc. Actuators are readily available from commercial producers but there is a great need for reducing their size, increasing their efficiency and reducing their weight. Studies at JPL’s Non Destructive Evaluation and Advanced Actuators (NDEAA) Laboratory have been focused on the use of piezoelectric stacks and novel designs taking advantage of piezoelectric’s potential to provide high torque/force density actuation and high electromechanical conversion efficiency. The actuators/motors that have been developed and reviewed in this paper are operated by various horn configurations as well as the use of pre-stress flexures that make them thermally stable and increases their coupling efficiency. The use of monolithic designs that pre-stress the piezoelectric stack eliminates the use of compression stress bolt. These designs enable the embedding of developed solid-state motors/actuators in any structure with the only macroscopically moving parts are the rotor or the linear translator. Finite element modeling and design tools were used to determine the requirements and operation parameters and the results were used to simulate, design and fabricate novel actuators/motors. The developed actuators and performance will be described and discussed in this paper.

  20. Split ring containment attachment device

    International Nuclear Information System (INIS)

    Sammel, A.G.

    1996-01-01

    A containment attachment device is described for operatively connecting a glovebag to plastic sheeting covering hazardous material. The device includes an inner split ring member connected on one end to a middle ring member wherein the free end of the split ring member is inserted through a slit in the plastic sheeting to captively engage a generally circular portion of the plastic sheeting. A collar potion having an outer ring portion is provided with fastening means for securing the device together wherein the glovebag is operatively connected to the collar portion. 5 figs

  1. Radar imaging of Saturn's rings

    Science.gov (United States)

    Nicholson, Philip D.; French, Richard G.; Campbell, Donald B.; Margot, Jean-Luc; Nolan, Michael C.; Black, Gregory J.; Salo, Heikki J.

    2005-09-01

    We present delay-Doppler images of Saturn's rings based on radar observations made at Arecibo Observatory between 1999 and 2003, at a wavelength of 12.6 cm and at ring opening angles of 20.1°⩽|B|⩽26.7°. The average radar cross-section of the A ring is ˜77% relative to that of the B ring, while a stringent upper limit of 3% is placed on the cross-section of the C ring and 9% on that of the Cassini Division. These results are consistent with those obtained by Ostro et al. [1982, Icarus 49, 367-381] from radar observations at |B|=21.4°, but provide higher resolution maps of the rings' reflectivity profile. The average cross-section of the A and B rings, normalized by their projected unblocked area, is found to have decreased from 1.25±0.31 to 0.74±0.19 as the rings have opened up, while the circular polarization ratio has increased from 0.64±0.06 to 0.77±0.06. The steep decrease in cross-section is at variance with previous radar measurements [Ostro et al., 1980, Icarus 41, 381-388], and neither this nor the polarization variations are easily understood within the framework of either classical, many-particle-thick or monolayer ring models. One possible explanation involves vertical size segregation in the rings, whereby observations at larger elevation angles which see deeper into the rings preferentially see the larger particles concentrated near the rings' mid-plane. These larger particles may be less reflective and/or rougher and thus more depolarizing than the smaller ones. Images from all four years show a strong m=2 azimuthal asymmetry in the reflectivity of the A ring, with an amplitude of ±20% and minima at longitudes of 67±4° and 247±4° from the sub-Earth point. We attribute the asymmetry to the presence of gravitational wakes in the A ring as invoked by Colombo et al. [1976, Nature 264, 344-345] to explain the similar asymmetry long seen at optical wavelengths. A simple radiative transfer model suggests that the enhancement of the azimuthal

  2. Magnetic ring for stripping enhancement

    International Nuclear Information System (INIS)

    Selph, F.

    1992-10-01

    A ring designed to recycle ions through a stripping medium offers the possibility for increasing output of the desired charge state by up to 4x. This could be a very important component of a Radioactive Nuclear Beam Facility. In order for such a ring to work effectively it must satisfy certain design conditions. These include achromaticity at the stripper, a dispersed region for an extraction magnet, and a number of first and higher order optics constraints which are necessary to insure that the beam emittance is not degraded unduly by the ring. An example is given of a candidate design of a stripping ring

  3. Saturn's Rings Edge-on

    Science.gov (United States)

    1995-01-01

    In one of nature's most dramatic examples of 'now-you see-them, now-you-don't', NASA's Hubble Space Telescope captured Saturn on May 22, 1995 as the planet's magnificent ring system turned edge-on. This ring-plane crossing occurs approximately every 15 years when the Earth passes through Saturn's ring plane.For comparison, the top picture was taken by Hubble on December 1, 1994 and shows the rings in a more familiar configuration for Earth observers.The bottom picture was taken shortly before the ring plane crossing. The rings do not disappear completely because the edge of the rings reflects sunlight. The dark band across the middle of Saturn is the shadow of the rings cast on the planet (the Sun is almost 3 degrees above the ring plane.) The bright stripe directly above the ring shadow is caused by sunlight reflected off the rings onto Saturn's atmosphere. Two of Saturn's icy moons are visible as tiny starlike objects in or near the ring plane. They are, from left to right, Tethys (slightly above the ring plane) and Dione.This observation will be used to determine the time of ring-plane crossing and the thickness of the main rings and to search for as yet undiscovered satellites. Knowledge of the exact time of ring-plane crossing will lead to an improved determination of the rate at which Saturn 'wobbles' about its axis (polar precession).Both pictures were taken with Hubble's Wide Field Planetary Camera 2. The top image was taken in visible light. Saturn's disk appears different in the bottom image because a narrowband filter (which only lets through light that is not absorbed by methane gas in Saturn's atmosphere) was used to reduce the bright glare of the planet. Though Saturn is approximately 900 million miles away, Hubble can see details as small as 450 miles across.The Wide Field/Planetary Camera 2 was developed by the Jet Propulsion Laboratory and managed by the Goddard Spaced Flight Center for NASA's Office of Space Science.This image and other images and

  4. Acceleration of magnetized plasma rings

    International Nuclear Information System (INIS)

    Hartman, D.; Eddleman, J.; Hammer, J.H.

    1982-01-01

    One scheme is considered, acceleration of a ring between coaxial electrodes by a B/sub theta/ field as in a coaxial rail-gun. If the electrodes are conical, a ring accelerated towards the apex of the cone undergoes self-similar compression (focussing) during acceleration. Because the allowable acceleration force F/sub a/ = kappa U/sub m//R (kappa - 2 , the accelerating distance for conical electrodes is considerably shortened over that required for coaxial electrodes. In either case however, since the accelerating flux can expand as the ring moves, most of the accelerating field energy can be converted into kinetic energy of the ring leading to high efficiency

  5. Ground Movement in SSRL Ring

    International Nuclear Information System (INIS)

    Sunikumar, Nikita

    2011-01-01

    Users of the Stanford Synchrotron Radiation Lightsource (SSRL) are being affected by diurnal motion of the synchrotron's storage ring, which undergoes structural changes due to outdoor temperature fluctuations. In order to minimize the effects of diurnal temperature fluctuations, especially on the vertical motion of the ring floor, scientists at SSRL tried three approaches: painting the storage ring white, covering the asphalt in the middle of the ring with highly reflective Mylar and installing Mylar on a portion of the ring roof and walls. Vertical motion in the storage ring is measured by a Hydrostatic Leveling System (HLS), which calculates the relative height of water in a pipe that extends around the ring. The 24-hr amplitude of the floor motion was determined using spectral analysis of HLS data, and the ratio of this amplitude before and after each experiment was used to quantitatively determine the efficacy of each approach. The results of this analysis showed that the Mylar did not have any significant effect on floor motion, although the whitewash project did yield a reduction in overall HLS variation of 15 percent. However, further analysis showed that the reduction can largely be attributed to a few local changes rather than an overall reduction in floor motion around the ring. Future work will consist of identifying and selectively insulating these local regions in order to find the driving force behind diurnal floor motion in the storage ring.

  6. ring og refleksion

    DEFF Research Database (Denmark)

    Wahlgren, B.; Rattleff, Pernille; Høyrup, S.

    State of the art inden for forskning om læring på arbejdspladsen samt gennemgang af læringsteori og refleksionsbegrebet hos Dewey, Dreyfus, Schön, Argyris, Kolb, Jarvis, Mezirow og Brookfield. Afsluttes med diskussion af syntetiseret model for læring på arbejdspladsen.......State of the art inden for forskning om læring på arbejdspladsen samt gennemgang af læringsteori og refleksionsbegrebet hos Dewey, Dreyfus, Schön, Argyris, Kolb, Jarvis, Mezirow og Brookfield. Afsluttes med diskussion af syntetiseret model for læring på arbejdspladsen....

  7. Design for a second-generation proton storage ring at LAMPF

    International Nuclear Information System (INIS)

    Colton, E.P.

    1988-01-01

    A conceptual design is presented for a second-generation proton storage ring complex at LAMPF. The facility would consist of two stacked racetrack-shaped machines. These machines would deliver a 1.2-mA beam of 1.6-GeV protons at 48 Hz. The pulse length would be 1.75 μsec which represents a time compression of 570. 1 ref., 8 figs., 1 tab

  8. Photocatalytic oxidation of polycyclic aromatic hydrocarbons: Intermediates identification and toxicity testing

    International Nuclear Information System (INIS)

    Woo, O.T.; Chung, W.K.; Wong, K.H.; Chow, Alex T.; Wong, P.K.

    2009-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are hydrophobic pollutants and their low water solubility limits their degradation in aqueous solution. The presence of water-miscible solvent such as acetone can increase the water solubility of PAHs, however acetone will also affect the degradation of PAH. In this study the effects of acetone on the photocatalytic degradation efficiency and pathways of 5 selected PAHs, namely naphthalene (2 rings), acenaphthylene (3 rings), phenanthrene (3 rings), anthracene (3 rings) and benzo[a]anthracene (4 rings) were investigated. The Microtox toxicity test was used to determine whether the PCO system can completely detoxify the parental PAHs and its intermediates. The addition of 16% acetone can greatly alter the degradation pathway of naphthalene and anthracene. Based on intermediates identified from degradation of the 5 PAHs, the location of parental PAHs attacked by reactive free radicals can be correlated with the localization energies of different positions of the compound. For toxicity analysis, irradiation by UV light was found to induce acute toxicity by generating intermediates/degradation products from PAHs and possibly acetone. Lastly, all PAHs (10 mg l -1 ) can be completely detoxified by titanium dioxide (100 mg l -1 ) within 24 h under UVA irradiation (3.9 mW cm -2 ).

  9. Stereochemistry of charged nitrogen-aromatic interactions and its involvement in ligand-receptor binding

    Science.gov (United States)

    Verdonk, Marcel L.; Boks, Gertjan J.; Kooijman, Huub; Kanters, Jan A.; Kroon, Jan

    1993-04-01

    Recently, new evidence was found for the involvement of charged nitrogen-aromatic interactions in ligand-receptor binding. In this study we report two favourable orientations of a phenyl ring with respect to a R-N+(CH3)3 group, based on crystal structure statistics from the Cambridge Structural Database. In the first orientation, the phenyl ring is situated in between the substituents at about 4.5 Å from the nitrogen atom, and the ring is approximately oriented on the sphere around the nitrogen atom. In the second orientation, the phenyl ring is situated in the same direction as one of the N-C bonds at about 6.0 Å from the nitrogen atom, and the ring is tilted with respect to the sphere around the nitrogen atom. The same two orientations were also found in the crystal structures of three ligand-receptor complexes, which implies that these orientations probably play a major role in molecular recognition mechanisms.

  10. Detecting aromatic compounds on planetary surfaces using ultraviolet time-resolved fluorescence spectroscopy

    Science.gov (United States)

    Eshelman, E.; Daly, M. G.; Slater, G.; Cloutis, E.

    2018-02-01

    Many aromatic organic molecules exhibit strong and characteristic fluorescence when excited with ultraviolet radiation. As laser excitation in the ultraviolet generates both fluorescence and resonantly enhanced Raman scattering of aromatic vibrational modes, combined Raman and fluorescence instruments have been proposed to search for organic compounds on Mars. In this work the time-resolved fluorescence of a suite of 24 compounds composed of 2-5 ringed alternant, non-alternant, and heterocyclic PAHs was measured. Fluorescence instrumentation with similar specifications to a putative flight instrument was capable of observing the fluorescence decay of these compounds with a sub-ns resolution. Incorporating time-resolved capabilities was also found to increase the ability to discriminate between individual PAHs. Incorporating time-resolved fluorescence capabilities into an ultraviolet gated Raman system intended for a rover or lander can increase the ability to detect and characterize PAHs on planetary surfaces.

  11. Polycyclic aromatic hydrocarbons in sediments and mussels of Corral Bay, south central Chile.

    Science.gov (United States)

    Palma-Fleming, Hernan; P, Adalberto J Asencio; Gutierrez, Elena

    2004-03-01

    PAHs were measured in sediments and mussels (Mytilus chilensis) from Carboneros and Puerto Claro, located in Corral Bay, Valdivia. According to the ratio of phenanthrene/anthracene and fluoranthene/pyrene concentrations, these sites are medium polluted with PAHs originating mainly from pyrolytic sources. Fluoranthene was the major component measured in mussels (3.1-390 ng g(-1) dry weight) and sediments (6.9-74.1 ng g(-1) dry weight). In general, mussels were mainly exposed to the dissolved fraction of the lower molecular weight PAHs (tri- and tetra-aromatics) while the higher molecular ring systems (penta- and hexa-aromatics) were more bioavailable to sediments. Mussel PAHs content was relatively constant, with the exception of the 1999 summer season (March), when higher concentration values were found in both sites; however, PAHs residues in sediments showed a temporal variation.

  12. From small aromatic molecules to functional nanostructured carbon by pulsed laser-induced photochemical stitching

    Directory of Open Access Journals (Sweden)

    R. R. Gokhale

    2012-06-01

    Full Text Available A novel route employing UV laser pulses (KrF Excimer, 248 nm to cleave small aromatic molecules and stitch the generated free radicals into functional nanostructured forms of carbon is introduced. The process differs distinctly from any strategies wherein the aromatic rings are broken in the primary process. It is demonstrated that this pulsed laser-induced photochemical stitching (PLPS process when applied to routine laboratory solvents (or toxic chemical wastes when discarded Chlorobenzene and o-Dichlorobenzene yields Carbon Nanospheres (CNSs comprising of graphene-like sheets assembled in onion-like configurations. This room temperature process implemented under normal laboratory conditions is versatile and clearly applicable to the whole family of haloaromatic compounds without and with additions of precursors or other nanomaterials. We further bring out its applicability for synthesis of metal-oxide based carbon nanocomposites.

  13. Pulse shape discrimination in non-aromatic plastics

    Energy Technology Data Exchange (ETDEWEB)

    Paul Martinez, H.; Pawelczak, Iwona; Glenn, Andrew M.; Leslie Carman, M.; Zaitseva, Natalia; Payne, Stephen

    2015-01-21

    Recently it has been demonstrated that plastic scintillators have the ability to distinguish neutrons from gamma rays by way of pulse shape discrimination (PSD). This discovery has lead to new materials and new capabilities. Here we report our work with the effects of aromatic, non-aromatic, and mixed aromatic/non-aromatic matrices have on the performance of PSD plastic scintillators.

  14. Rotating ring-ring electrode theory and experiment

    NARCIS (Netherlands)

    Kuiken, H.K.; Bakkers, E.P.A.M.; Ligthart, H.; Kellyb, J.J.

    2000-01-01

    A model is presented for the rotating ring-ring electrode. Although the electrode is defined by four characteristic lengths, it is shown that the collection efficiency depends on only two dimensionless parameters. A simple relationship between these and the corresponding parameters for the rotating

  15. The Rotating Ring-Ring Electrode. Theory and Experiment

    NARCIS (Netherlands)

    Kuiken, H.K.; Bakkers, E.P.A.M.; Ligthart, H.; Kelly, J.J.

    2000-01-01

    A model is presented for the rotating ring-ring electrode. Although the electrode is defined by four characteristic lengths, it is shown that the collection efficiency depends on only two dimensionless parameters. A simple relationship between these and the corresponding parameters for the rotating

  16. Microbial transformation of chlorinated aromatics in sediments

    NARCIS (Netherlands)

    Beurskens, J.E.M.

    1995-01-01

    Numerous contaminants like heavy metals, polycyclic aromatic hydrocarbons (PAHs), chlorinated benzenes (CBs), polychlorinated biphenyls (PCBs), polychlorinated dibenzo- p -dioxins (PCDDs) and polychlorinated furans (PCDFs) are detected in the major rivers in the

  17. Volatilisation of aromatic hydrocarbons from soil

    DEFF Research Database (Denmark)

    Lindhardt, B.; Christensen, T.H.

    1996-01-01

    The non-steady-state fluxes of aromatic hydrocarbons were measured in the laboratory from the surface of soils contaminated with coal tar Four soil samples from a former gasworks site were used for the experiments. The fluxes were quantified for 11 selected compounds, 4 mono- and 7 polycyclic...... aromatic hydrocarbons, for a period of up to 8 or 16 days. The concentrations of the selected compounds in the soils were between 0.2 and 3,100 mu g/g. The study included the experimental determination of the distribution coefficient of the aromatic hydrocarbons between the sorbed phase and the water under...... saturated conditions. The determined distribution coefficients showed that the aromatic hydrocarbons were more strongly sorbed to the total organic carbon including the coal tar pitch - by a factor of 8 to 25 - than expected for natural organic matter. The fluxes were also estimated using an analytical...

  18. International congress on aromatic and medicinal plants

    International Nuclear Information System (INIS)

    2009-01-01

    Full Text : In Morocco, medicinal and aromatic plants occupy an important place in the traditional care system of a large number of local people. They are also economically strong potential, but unfortunately they are not valued enough. Indeed, Morocco by its privileged geographical position in the Mediterranean basin and its floristic diversity (with a total of over 4,200 species and subspecies of which over 500 are recognized as medicinal and aromatic plants), is a leading provider of traditional global market. In this context and given the back label of the natural global, group research and studies on Aromatic and Medicinal Plants (GREPAM), the Faculty of Semlalia and University Cadi Ayyad, organize: the International Congress on Medicinal and Aromatic Plants CIPAM 2009. The organization of this conference is part of scientific research developed by the GREPAM. [fr

  19. Sodium Perborate Oxidation of an Aromatic Amine

    Science.gov (United States)

    Juestis, Laurence

    1977-01-01

    Describes an experiment involving the oxidation of aromatic primary amines to the corresponding azo compound; suggests procedures for studying factors that influence the yield of such a reaction, including the choice of solvent and the oxidant-amine ratio. (MLH)

  20. Polycyclic aromatic hydrocarbons (PAHs) degradation by laccase ...

    African Journals Online (AJOL)

    PRECIOUS

    2009-11-02

    Nov 2, 2009 ... Full Length Research Paper. Polycyclic aromatic ... production of paper, feeds, chemicals and fuels there is ... microbes with the production of lignin-modifying enzymes ... enable white rot fungi to degrade a variety of toxic.

  1. Damping rings for CLIC

    CERN Document Server

    Jowett, John M; Zimmermann, Frank; Owen, H

    2001-01-01

    The Compact Linear Colider (CLIC) is designed to operate at 3 TeV centre-of-mass energy with a total luminosity of 10^35 cm^-2 s^-1. The overall system design leads to extremely demanding requirements on the bunch trains injected into the main libac at frequency of 100 Hz. In particular, the emittances of the intense bunches have to be about an order of magnitude smaller than presently achieved. We describe our approach to finding a damping ring design capable of meeting these requirements. Besides lattice design, emittance and damping rate considerations, a number of scattering and instability effects have to be incorporated into the optimisation of parameters. Among these, intra-bem scattering and the electron cloud effect are two of the most significant.

  2. Does the sun ring

    International Nuclear Information System (INIS)

    Isaak, G.R.

    1978-01-01

    The work of various groups, which have been investigating the possibility of measuring the periodicities of solar oscillations in an attempt to test theoretical models of the sun, is reported. In particular the observation of small velocity oscillations of the surface layers of the sun that permits the measurement of the sound waves (or phonons) in the solar atmosphere, is discussed. Oscillations with periods of 2.65 h, 58 and 40 min and amplitudes of 2.7, 0.8 and 0.7 ms -1 respectively are reported. Support for a periodicity at about 2.65 h from a number of other groups using other measuring techniques are considered. It is felt that the most probable interpretation of the observed solar oscillations is that the sun is a resonator which is ringing. (UK)

  3. PROTONATED POLYCYCLIC AROMATIC HYDROCARBONS REVISITED

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr; Allamandola, Louis J.

    2011-01-01

    We reconsider the contribution that singly protonated polycyclic aromatic hydrocarbons (PAHs; HPAH + s) might make to the Class A component of the 6.2 μm interstellar emission feature in light of the recent experimental measurements of protonated naphthalene and coronene. Our calculations on the small HPAH + s have a band near 6.2 μm, as found in experiment. While the larger HPAH + s still have emission near 6.2 μm, the much larger intensity of the band near 6.3 μm overwhelms the weaker band at 6.2 μm, so that the 6.2 μm band is barely visible. Since the large PAHs are more representative of those in the interstellar medium, our work suggests that large HPAH + s cannot be major contributors to the observed emission at 6.2 μm (i.e., Class A species). Saturating large PAH cations with hydrogen atoms retains the 6.2 μm Class A band position, but the rest of the spectrum is inconsistent with observed spectra.

  4. AN AROMATIC INVENTORY OF THE LOCAL VOLUME

    International Nuclear Information System (INIS)

    Marble, A. R.; Engelbracht, C. W.; Block, M.; Van Zee, L.; Dale, D. A.; Cohen, S. A.; Schuster, M. D.; Smith, J. D. T.; Gordon, K. D.; Wu, Y.; Lee, J. C.; Kennicutt, R. C.; Skillman, E. D.; Johnson, L. C.; Calzetti, D.; Lee, H.

    2010-01-01

    Using infrared photometry from the Spitzer Space Telescope, we perform the first inventory of aromatic feature emission (also commonly referred to as polycyclic aromatic hydrocarbon emission) for a statistically complete sample of star-forming galaxies in the local volume. The photometric methodology involved is calibrated and demonstrated to recover the aromatic fraction of the Infrared Array Camera 8 μm flux with a standard deviation of 6% for a training set of 40 SINGS galaxies (ranging from stellar to dust dominated) with both suitable mid-infrared Spitzer Infrared Spectrograph spectra and equivalent photometry. A potential factor of 2 improvement could be realized with suitable 5.5 μm and 10 μm photometry, such as what may be provided in the future by the James Webb Space Telescope. The resulting technique is then applied to mid-infrared photometry for the 258 galaxies from the Local Volume Legacy (LVL) survey, a large sample dominated in number by low-luminosity dwarf galaxies for which obtaining comparable mid-infrared spectroscopy is not feasible. We find the total LVL luminosity due to five strong aromatic features in the 8 μm complex to be 2.47 x 10 10 L sun with a mean volume density of 8.8 x 10 6 L sun Mpc -3 . Twenty-four of the LVL galaxies, corresponding to a luminosity cut at M B = -18.22, account for 90% of the aromatic luminosity. Using oxygen abundances compiled from the literature for 129 of the 258 LVL galaxies, we find a correlation between metallicity and the aromatic-to-total infrared emission ratio but not the aromatic-to-total 8 μm dust emission ratio. A possible explanation is that metallicity plays a role in the abundance of aromatic molecules relative to the total dust content, but other factors, such as star formation and/or the local radiation field, affect the excitation of those molecules.

  5. The proton transfer reaction in malonaldehyde derivatives: Substituent effects and quasi-aromaticity of the proton bridge

    International Nuclear Information System (INIS)

    Palusiak, Marcin; Simon, Silvia; Sola, Miquel

    2007-01-01

    The proton transfer in malonaldehyde and in some of its derivatives have been considered in order to study the interrelation between the reaction barrier and the π-delocalization in the quasi-ring. A set of simple and mostly common substituents having different properties in resonance effect according to values of substituents constants were chosen in order to simulate the influence of substitution in position 2 or in position 1 (or 3) of malonaldehyde on the quasi-aromaticity and H-bonding. The following substituents have been taken into consideration: NO, NO 2 , CN, CHO, F, H, CH 3 , OCH 3 , OH, and NH 2 . Our results show that when the substituent is attached at position 2 of the quasi-ring, the resonance effect predominates over the field/inductive effect which leads to changes in H-bonding and quasi-aromaticity of the ring motif, while in the case of 1(3) substitution the field/inductive effect is significantly more effective influencing the HB strength, and thus, the proton transfer barrier. Somehow counterintuitively, for the 1(3) substituted systems, the most stable isomer is the one having the weakest HB and lower aromaticity. The reason for this surprising behaviour is discussed

  6. Mechanistic studies on the OH-initiated atmospheric oxidation of selected aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Nehr, Sascha

    2012-07-01

    Benzene, toluene, the xylenes, and the trimethylbenzenes are among the most abundant aromatic trace constituents of the atmosphere mainly originating from anthropogenic sources. The OH-initiated atmospheric photo-oxidation of aromatic hydrocarbons is the predominant removal process resulting in the formation of O{sub 3} and secondary organic aerosol. Therefore, aromatics are important trace constituents regarding air pollution in urban environments. Our understanding of aromatic photo-oxidation processes is far from being complete. This work presents novel approaches for the investigation of OH-initiated atmospheric degradation mechanisms of aromatic hydrocarbons. Firstly, pulsed kinetic studies were performed to investigate the prompt HO{sub 2} formation from OH+ aromatic hydrocarbon reactions under ambient conditions. For these studies, the existing OH reactivity instrument, based on the flash photolysis/laser-induced fluorescence (FP/LIF) technique, was extended to the detection of HO{sub 2} radicals. The experimental design allows for the determination of HO{sub 2} formation yields and kinetics. Results of the pulsed kinetic experiments complement previous product studies and help to reduce uncertainties regarding the primary oxidation steps. Secondly, experiments with aromatic hydrocarbons were performed under atmospheric conditions in the outdoor atmosphere simulation chamber SAPHIR (Simulation of Atmospheric PHotochemistry In a large Reaction chamber) located at Forschungszentrum Juelich. The experiments were aimed at the evaluation of up-to-date aromatic degradation schemes of the Master Chemical Mechanism (MCMv3.2). The unique combination of analytical instruments operated at SAPHIR allows for a detailed investigation of HO{sub x} and NO{sub x} budgets and for the determination of primary phenolic oxidation product yields. MCMv3.2 deficiencies were identified and most likely originate from shortcomings in the mechanistic representation of ring

  7. A dual shared stack for FSLM in Erika Enterprise

    NARCIS (Netherlands)

    Balasubramanian, S.M.N.; Afshar, S.; Gai, P.; Behnam, M.; Bril, R.J.

    2017-01-01

    Recently, the flexible spin-lock model (FSLM) has been introduced, unifying spin-based and suspension-based resource sharing protocols for real-time multi-core platforms. Unlike the multiprocessor stack resource policy (MSRP), FSLM doesn’t allow tasks on a core to share a single stack, however. In

  8. Long Josephson Junction Stack Coupled to a Cavity

    DEFF Research Database (Denmark)

    Madsen, Søren Peder; Pedersen, Niels Falsig; Groenbech-Jensen, N.

    2007-01-01

    A stack of inductively coupled long Josephson junctions are modeled as a system of coupled sine-Gordon equations. One boundary of the stack is coupled electrically to a resonant cavity. With one fluxon in each Josephson junction, the inter-junction fluxon forces are repulsive. We look at a possible...... transition, induced by the cavity, to a bunched state....

  9. Efficient Context Switching for the Stack Cache: Implementation and Analysis

    DEFF Research Database (Denmark)

    Abbaspourseyedi, Sahar; Brandner, Florian; Naji, Amine

    2015-01-01

    , the analysis of the stack cache was limited to individual tasks, ignoring aspects related to multitasking. A major drawback of the original stack cache design is that, due to its simplicity, it cannot hold the data of multiple tasks at the same time. Consequently, the entire cache content needs to be saved...

  10. Analysis of preemption costs for the stack cache

    DEFF Research Database (Denmark)

    Naji, Amine; Abbaspour, Sahar; Brandner, Florian

    2018-01-01

    , the analysis of the stack cache was limited to individual tasks, ignoring aspects related to multitasking. A major drawback of the original stack cache design is that, due to its simplicity, it cannot hold the data of multiple tasks at the same time. Consequently, the entire cache content needs to be saved...

  11. Simultaneous stack-gas scrubbing and waste water treatment

    Science.gov (United States)

    Poradek, J. C.; Collins, D. D.

    1980-01-01

    Simultaneous treatment of wastewater and S02-laden stack gas make both treatments more efficient and economical. According to results of preliminary tests, solution generated by stack gas scrubbing cycle reduces bacterial content of wastewater. Both processess benefit by sharing concentrations of iron.

  12. A Software Managed Stack Cache for Real-Time Systems

    DEFF Research Database (Denmark)

    Jordan, Alexander; Abbaspourseyedi, Sahar; Schoeberl, Martin

    2016-01-01

    In a real-time system, the use of a scratchpad memory can mitigate the difficulties related to analyzing data caches, whose behavior is inherently hard to predict. We propose to use a scratchpad memory for stack allocated data. While statically allocating stack frames for individual functions...

  13. The RING 2.0 web server for high quality residue interaction networks.

    Science.gov (United States)

    Piovesan, Damiano; Minervini, Giovanni; Tosatto, Silvio C E

    2016-07-08

    Residue interaction networks (RINs) are an alternative way of representing protein structures where nodes are residues and arcs physico-chemical interactions. RINs have been extensively and successfully used for analysing mutation effects, protein folding, domain-domain communication and catalytic activity. Here we present RING 2.0, a new version of the RING software for the identification of covalent and non-covalent bonds in protein structures, including π-π stacking and π-cation interactions. RING 2.0 is extremely fast and generates both intra and inter-chain interactions including solvent and ligand atoms. The generated networks are very accurate and reliable thanks to a complex empirical re-parameterization of distance thresholds performed on the entire Protein Data Bank. By default, RING output is generated with optimal parameters but the web server provides an exhaustive interface to customize the calculation. The network can be visualized directly in the browser or in Cytoscape. Alternatively, the RING-Viz script for Pymol allows visualizing the interactions at atomic level in the structure. The web server and RING-Viz, together with an extensive help and tutorial, are available from URL: http://protein.bio.unipd.it/ring. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  14. Crystal structures of 4-chloropyridine-2-carbonitrile and 6-chloropyridine-2-carbonitrile exhibit different intermolecular π-stacking, C—H...Nnitrile and C—H...Npyridine interactions

    Directory of Open Access Journals (Sweden)

    Matthew J. Montgomery

    2015-07-01

    Full Text Available The two title compounds are isomers of C6H3ClN2 containing a pyridine ring, a nitrile group, and a chloro substituent. The molecules of each compound pack together in the solid state with offset face-to-face π-stacking, and intermolecular C—H...Nnitrile and C—H...Npyridine interactions. 4-Chloropyridine-2-carbonitrile, (I, exhibits pairwise centrosymmetric head-to-head C—H...Nnitrile and C—H...Npyridine interactions, forming one-dimensional chains, which are π-stacked in an offset face-to-face fashion. The intermolecular packing of the isomeric 6-chloropyridine-2-carbonitrile, (II, which differs only in the position of the chloro substituent on the pyridine ring, exhibits head-to-tail C—H...Nnitrile and C—H...Npyridine interactions, forming two-dimensional sheets which are π-stacked in an offset face-to-face fashion. In contrast to (I, the offset face-to-face π-stacking in (II is formed between molecules with alternating orientations of the chloro and nitrile substituents.

  15. How Jupiter's Ring Was Discovered.

    Science.gov (United States)

    Elliot, James; Kerr, Richard

    1985-01-01

    "Rings" (by astronomer James Elliot and science writer Richard Kerr) is a nontechnical book about the discovery and exploration of ring systems from the time of Galileo to the era of the Voyager spacecraft. One of this book's chapters is presented. (JN)

  16. Pyrimidine-pyridine ring interconversion

    NARCIS (Netherlands)

    Plas, van der H.C.

    2003-01-01

    This chapter discusses the pyrimidine-to-pyridine ring transformation and pyridine-to-pyrimidine ring transformation. In nucleophile-induced pyrimidine-to-pyridine rearrangements, two types of reactions can be distinguished depending on the structure of the nucleophile: (1) reactions in which the

  17. Routes to a commercially viable PEM fuel cell stack

    Energy Technology Data Exchange (ETDEWEB)

    Newton, J.; Foster, S.E.; Hodgson, D.; Marrett, A.

    2002-07-01

    This report describes the results of a project to design and build a 10 kW{sub e} proton exchange membrane fuel cell (PEMFC) stack, including membrane electrode assemblies (MEAs), bipolar plates and stack hardware. The aim was to prove the design concept and to demonstrate functionality by operating the stack at >1 kW{sub e}/L and 500 W/kg for 200 hours operation. The project was extended to include the assembly and testing of two additional 1 kW{sub e} PEMFC stacks based on coated metal components. Low equivalent weight perfluorinated ionomer ion exchange membranes were prepared and were found to give a superior electrochemical performance to commercial materials. A technique to etch various stainless steel grades and control processes was successfully developed and optimised. Coatings for stainless steel and titanium were successfully developed and met the required performance criteria. All PEMFC stack components were selected and designed to enable subsequent commercial manufacture.

  18. High-Density Stacked Ru Nanocrystals for Nonvolatile Memory Application

    International Nuclear Information System (INIS)

    Ping, Mao; Zhi-Gang, Zhang; Li-Yang, Pan; Jun, Xu; Pei-Yi, Chen

    2009-01-01

    Stacked ruthenium (Ru) nanocrystals (NCs) are formed by rapid thermal annealing for the whole gate stacks and embedded in memory structure, which is compatible with conventional CMOS technology. Ru NCs with high density (3 × 10 12 cm −2 ), small size (2–4 nm) and good uniformity both in aerial distribution and morphology are formed. Attributed to the higher surface trap density, a memory window of 5.2 V is obtained with stacked Ru NCs in comparison to that of 3.5 V with single-layer samples. The stacked Ru NCs device also exhibits much better retention performance because of Coulomb blockade and vertical uniformity between stacked Ru NCs

  19. Binomial Rings: Axiomatisation, Transfer and Classification

    OpenAIRE

    Xantcha, Qimh Richey

    2011-01-01

    Hall's binomial rings, rings with binomial coefficients, are given an axiomatisation and proved identical to the numerical rings studied by Ekedahl. The Binomial Transfer Principle is established, enabling combinatorial proofs of algebraical identities. The finitely generated binomial rings are completely classified. An application to modules over binomial rings is given.

  20. Ionization cooling ring for muons

    Directory of Open Access Journals (Sweden)

    R. Palmer

    2005-06-01

    Full Text Available Practical ionization cooling rings could lead to lower cost or improved performance in neutrino factory or muon collider designs. The ring modeled here uses realistic three-dimensional fields. The performance of the ring compares favorably with the linear cooling channel used in the second U.S. Neutrino Factory Study. The normalized 6D emittance of an ideal ring is decreased by a factor of approximately 240, compared with a factor of only 15 for the linear channel. We also examine such real-world effects as windows on the absorbers and rf cavities and leaving empty lattice cells for injection and extraction. For realistic conditions the ring decreases the normalized 6D emittance by a factor of 49.

  1. Microbial degradation of street dust polycyclic aromatic hydrocarbons in microcosms simulating diffuse pollution of urban soil

    DEFF Research Database (Denmark)

    Johnsen, Anders R; de Lipthay, Julia R; Sørensen, Søren J

    2006-01-01

    Diffuse pollution with polycyclic aromatic hydrocarbons (PAHs) of topsoil in urban regions has caused increasing concerns in recent years. We simulated diffuse pollution of soil in microcosms by spiking sandy topsoil (A-horizon) and coarse, mineral subsoil (C-horizon) with street dust (PM63...... for the persistence and low bioaccessibility of 5- and 6-ring PAHs in diffusely polluted soil.......) isolated from municipal street sweepings from central Copenhagen. The microbial communities adapted to PAH degradation in microcosms spiked with street dust in both A-horizon and C-horizon soils, in spite of low PAH-concentrations. The increased potential for PAH degradation was demonstrated on several...

  2. LC clean-up and GC/MS analysis of polycyclic aromatic hydrocarbons in river sediment

    International Nuclear Information System (INIS)

    Nondek, L.; Kuzilek, M.; Krupicka, S.

    1993-01-01

    An LC clean-up procedure based upon a complexation between polycyclic aromatic hydrocarbons (PAHs) and silica with chemically bonded 2,4-dinitroaniline has been combined with GC/MS. The LC pre-separation makes it possible to obtain a relatively clean fraction of PAHs free from alkanes, alkylbenzenes and naphthalenes, PCBs, chlorinated pesticides and many other interfering compounds. This fraction has been analyzed using capillary GC and mass selective detector (MSD). Substantial improvement of the MS spectra of PAHs with three or more fused benzene rings is achieved. (orig.)

  3. Pollution by polycyclic aromatic hydrocarbons (PAH's) in sediments and organisms from Salina Cruz Port, Oaxaca, Mexico

    International Nuclear Information System (INIS)

    Botello, A.V.; Villanueva, S.; Diaz, G.; Pica, Y.

    1995-01-01

    The presence and levels of polycyclic aromatic hydrocarbons (PAH's) in [sediments and biota from the Port of Salina Cruz, Oaxaca; were evaluated by means of gas capillary chromatography using columns of high resolution. The results show a seasonal variability of the PAH's concentrations in sediments being higher in the port area and lower in oceanic sediments. The increase of the PAH's levels in Crassostrea iridiscens and Penaeus stylirostris is important and related to the bioaccumulation process. The presence of PAH's conformed by 4 y 5 benzene rings in these species must be noted specially because they have carcinogenic properties and their effects on the local fisheries should be considered. (Author)

  4. Reflector imaging by diffraction stacking with stacking velocity analysis; Jugo sokudo kaiseki wo tomonau sanran jugoho ni yoru hanshamen imaging

    Energy Technology Data Exchange (ETDEWEB)

    Matsushima, J; Rokugawa, S; Kato, Y [The University of Tokyo, Tokyo (Japan). Faculty of Engineering; Yokota, T [Japan National Oil Corp., Tokyo (Japan); Miyazaki, T [Geological Survey of Japan, Tsukuba (Japan)

    1997-10-22

    Concerning seismic reflection survey for geometrical arrangement between pits, the scattering stacking method with stacking velocity analysis is compared with the CDP (common depth point horizontal stacking method). The advantages of the CDP supposedly include the following. Since it presumes an average velocity field, it can determine velocities having stacking effects. The method presumes stratification and, since such enables the division of huge quantities of observed data into smaller groups, more data can be calculated in a shorter time period. The method has disadvantages, attributable to its presuming an average velocity field, that accuracy in processing is lower when the velocity field contrast is higher, that accuracy in processing is low unless stratification is employed, and that velocities obtained from stacking velocity analysis are affected by dipped structures. Such shortcomings may be remedied in the scattering stacking method with stacking velocity analysis. Possibilities are that, as far as the horizontal reflection plane is concerned, it may yield stack records higher in S/N ratio than the CDP. Findings relative to dipped reflection planes will be introduced at the presentation. 6 refs., 12 figs.

  5. Polytetrafluoroethylene-jacketed stirrer modified with graphene oxide and polydopamine for the efficient extraction of polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Zhang, Zinxin; Mwadini, Mwadini Ahmada; Chen, Zilin

    2016-10-01

    Steel stirrers jacketed with polytetrafluoroethylene can be regarded as an ideal substrate for stirrer bar sorptive extraction. However, it is still a great challenge to immobilize graphene onto a polytetrafluoroethylene stirrer due to the high chemical resistance of the surface of a polytetrafluoroethylene stirrer. We describe here a method to modify the surface of polytetrafluoroethylene stirrers with graphene. In this work, graphene was used as the sorbent due to its excellent adsorption capability for aromatic compounds, such as polycyclic aromatic compounds. Graphene was successfully immobilized onto polytetrafluoroethylene-stirrer by a bio-inspired polydopamine functionalization method. The graphene-modified polytetrafluoroethylene-stirrer shows good stability and tolerance to stirring, ultrasonication, strong acidic and basic solutions, and to organic solvents. The multilayer coating was characterized by scanning electronic microscopy and Fourier transform infrared spectroscopy. After the optimization of some experimental conditions, the graphene-modified polytetrafluoroethylene stirrer was used for the stirrer bar sorptive extraction of polycyclic aromatic hydrocarbons, in which the binding between the polycyclic aromatic hydrocarbons and the graphene layer was mainly based on π-π stacking and hydrophobic interactions. The graphene-modified polytetrafluoroethylene-stirrer-based stirrer bar sorptive extraction and high-performance liquid chromatography method was developed for the determination of polycyclic aromatic hydrocarbons with great extraction efficiency, with enrichment factors from 18 to 62. The method has low limits of detection of 1-5 pg/mL, wide linear range (5-100 and 10-200 pg/mL), good linearity (R ≥ 0.9957) and good reproducibility (RSD ≤ 6.45%). The proposed method has been applied to determine polycyclic aromatic hydrocarbons in real dust samples. Good recoveries were obtained, ranging from 88.53 to 109.43%. © 2016 WILEY-VCH Verlag

  6. Mechanism of interaction of the antileukemic drug cytosine arabinoside with aromatic peptides: role of sugar conformation and peptide backbone.

    Science.gov (United States)

    Datta, G; Hosur, R V; Verma, N C; Khetrapal, C L; Gurnani, S

    1989-01-01

    Interaction of the antileukemic drugs, cytosine-arabinoside (Ara-C) and adenosine-arabinoside (Ara-A) and a structural analogue, cytidine, with aromatic dipeptides has been studied by fluorescence and NMR spectroscopy. Ara-C and cytidine bind tryptophanyl and histidyl dipeptides but not tyrosyl dipeptides, while Ara-A does not bind to any of them. Both studies indicate association involving stacking of aromatic moieties. NMR spectra also indicate a protonation of the histidine moiety by Ara-C. In case of cytidine, the chemical shifts observed on binding to His-Phe imply that the backbone protons of the dipeptide participate in the binding. The conformation of the sugar and the base seem to play a very important role in the binding phenomenon as three similar molecules, Ara-C, Ara-A and cytidine bind in totally different ways.

  7. Aromatic residues located close to the active center are essential for the catalytic reaction of flap endonuclease-1 from hyperthermophilic archaeon Pyrococcus horikoshii.

    Science.gov (United States)

    Matsui, Eriko; Abe, Junko; Yokoyama, Hideshi; Matsui, Ikuo

    2004-04-16

    Flap endonuclease-1 (FEN-1) possessing 5'-flap endonuclease and 5'-->3' exonuclease activity plays important roles in DNA replication and repair. In this study, the kinetic parameters of mutants at highly conserved aromatic residues, Tyr33, Phe35, Phe79, and Phe278-Phe279, in the vicinity of the catalytic centers of FEN-1 were examined. The substitution of these aromatic residues with alanine led to a large reduction in kcat values, although these mutants retained Km values similar to that of the wild-type enzyme. Notably, the kcat of Y33A and F79A decreased 333-fold and 71-fold, respectively, compared with that of the wild-type enzyme. The aromatic residues Tyr33 and Phe79, and the aromatic cluster Phe278-Phe279 mainly contributed to the recognition of the substrates without the 3' projection of the upstream strand (the nick, 5'-recess-end, single-flap, and pseudo-Y substrates) for the both exo- and endo-activities, but played minor roles in recognizing the substrates with the 3' projection (the double flap substrate and the nick substrate with the 3' projection). The replacement of Tyr33, Phe79, and Phe278-Phe279, with non-charged aromatic residues, but not with aliphatic hydrophobic residues, recovered the kcat values almost fully for the substrates without the 3' projection of the upstream strand, suggesting that the aromatic groups of Tyr33, Phe79, and Phe278-Phe279 might be involved in the catalytic reaction, probably via multiple stacking interactions with nucleotide bases. The stacking interactions of Tyr33 and Phe79 might play important roles in fixing the template strand and the downstream strand, respectively, in close proximity to the active center to achieve the productive transient state leading to the hydrolysis.

  8. Evaluation of ring impedance of the Photon Factory storage ring

    International Nuclear Information System (INIS)

    Kiuchi, T.; Izawa, M.; Tokumoto, S.; Hori, Y.; Sakanaka, S.; Kobayashi, M.; Kobayakawa, H.

    1992-05-01

    The loss parameters of the ducts in the Photon Factory (PF) storage ring were evaluated using the wire method and the code TBCI. Both the measurement and the calculation were done for a different bunch length (σ) ranging from 23 to 80 ps. The PF ring impedance was estimated to be |Z/n|=3.2 Ω using the broadband impedance model. The major contribution to the impedance comes from the bellows and the gate valve sections. Improvements of these components will lower the ring impedance by half. (author)

  9. Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines

    International Nuclear Information System (INIS)

    Ribeiro da Silva, Manuel A.V.; Galvão, Tiago L.P.; Rocha, Inês M.; Santos, Ana Filipa L.O.M.

    2012-01-01

    Highlights: ► Δ f H m o (cr) of 2,4-diaminopyrimidine and 2,4,6-triaminopyrimidine were obtained by combustion calorimetry. ► Sublimation thermodynamics of the compounds was studied by Knudsen effusion technique. ► Ab initio computational calculations were performed for mono-, di- and triaminopyrimidine isomers. ► Molecular energetics were correlated with several criteria of aromaticity. ► The influence of intramolecular hydrogen bonds was explored. - Abstract: The relation between molecular energetics and aromaticity was investigated for the interaction between the amino functional group and the nitrogen atoms of the pyridine and pyrimidine rings, using experimental thermodynamic techniques and computational geometries, enthalpies, chemical shifts, atomic charges and the Quantum Theory of Atoms in Molecules. 2,4-diaminopyrimidine and 2,4,6-triaminopyrimidine were studied by static bomb combustion calorimetry and Knudsen effusion technique. The derived gaseous-phase enthalpies of formation together with the enthalpies of formation of the three isomers of aminopyridine reported in the literature, were compared with the calculated computationally ones and extended to other diamino- and triaminopyrimidine isomers using the MP2/6-311++G(d,p) level of theory. The results were analyzed in terms of enthalpy of interaction between substituents and, due to the absence of meaningful stereochemical hindrance, strong inductive effects, or intramolecular hydrogen bonds according to QTAIM results, the resonance electron delocalization plays an almost exclusive role in the very exothermic enthalpies obtained. Therefore, this enthalpy of interaction was used as an experimental energetic measure of resonance effects and analyzed in terms of aromaticity. It was found that more conjugation between substituents means less aromaticity according to the magnetic (NICS) and electronic (Shannon) criteria, but more aromaticity according to the geometric (HOMA) criterion.

  10. On the synthesis of 11C-labelled aromatic amino acids

    International Nuclear Information System (INIS)

    Halldin, C.

    1984-01-01

    The use of 11 C-labelled aromatic amino acids in positron emission tomography (PET) and their importance in physiological studies, especially cerebral protein synthesis or their role as precursors of neurotransmitters, is discussed. The synthesis of 11 -C-labelled aromatic amino acids by various routes is presented and new 11 C-labelled precursors, aromatic and aliphatic 11 C-aldehydes, are reported. The 11 C-aldehydes were obtained in 60-95% radiochemical yield and reaction times were of the order of 5 min. The 11 C-aldehydes have been used in condensation reactions with 2-aryl-5-oxazolones in the presence of a tertiary amine, diazabicyclooctane (DABCO), to produce the corresponding [α- 11 C]-4-arylene-2-aryl-5-oxazolones. Ring opening, hydrogenation and removal of protecting groups were carried out in one step to produce the racemic [3- 11 C]-labelled aromatic amino acids in 8-30% radiochemical yield. The total reaction time was 52-60 min. L-[3- 11 C]Phenylalanine was obtained by a seven-step synthesis in 80% e.e. (enantiomeric excess) and 60% e.e., respectively, in 10-15% radiochemical yield within 60 min, by use of the chiral rhodium complex of (R)-1,2-bis(diphenylphosphino)propane ((R)-PROPHOS) or (+)-2,3-isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane ((+)-DIOP) in the hydrogenation reaction. Racemic [2- 11 C]-labelled aromatic amino acids were produced by a high-pressure, high-temperature modification of the Buechere-Strecker synthesis. [2- 11 C]Phenylglycine was obtained in 20% radiochemical yield within 50 min. [3- 11 C]Phenylpyruvic acid was prepared via the aldehyde-oxyzolone condensation reaction in 40% radiochemical yield within 40 min (not including LC separation). Its use in the synthesis of [3- 11 C]-phenylalanine by enzymatic transamination is also discussed. With 32 refs.(Author)

  11. Long Duration Balloon Charge Controller Stack Integration

    Science.gov (United States)

    Clifford, Kyle

    NASA and the Columbia Scientific Balloon Facility are interested in updating the design of the charge controller on their long duration balloon (LDB) in order to enable the charge controllers to be directly interfaced via RS232 serial communication by a ground testing computers and the balloon's flight computer without the need to have an external electronics stack. The design involves creating a board that will interface with the existing boards in the charge controller in order to receive telemetry from and send commands to those boards, and interface with a computer through serial communication. The inputs to the board are digital status inputs indicating things like whether the photovoltaic panels are connected or disconnected; and analog inputs with information such as the battery voltage and temperature. The outputs of the board are 100ms duration command pulses that will switch relays that do things like connect the photovoltaic panels. The main component of this design is a PIC microcontroller which translates the outputs of the existing charge controller into serial data when interrogated by a ground testing or flight computer. Other components involved in the design are an AD7888 12-bit analog to digital converter, a MAX3232 serial transceiver, various other ICs, capacitors, resistors, and connectors.

  12. Black Hole Spectroscopy with Coherent Mode Stacking.

    Science.gov (United States)

    Yang, Huan; Yagi, Kent; Blackman, Jonathan; Lehner, Luis; Paschalidis, Vasileios; Pretorius, Frans; Yunes, Nicolás

    2017-04-21

    The measurement of multiple ringdown modes in gravitational waves from binary black hole mergers will allow for testing the fundamental properties of black holes in general relativity and to constrain modified theories of gravity. To enhance the ability of Advanced LIGO/Virgo to perform such tasks, we propose a coherent mode stacking method to search for a chosen target mode within a collection of multiple merger events. We first rescale each signal so that the target mode in each of them has the same frequency and then sum the waveforms constructively. A crucial element to realize this coherent superposition is to make use of a priori information extracted from the inspiral-merger phase of each event. To illustrate the method, we perform a study with simulated events targeting the ℓ=m=3 ringdown mode of the remnant black holes. We show that this method can significantly boost the signal-to-noise ratio of the collective target mode compared to that of the single loudest event. Using current estimates of merger rates, we show that it is likely that advanced-era detectors can measure this collective ringdown mode with one year of coincident data gathered at design sensitivity.

  13. ATLAS software stack on ARM64

    CERN Document Server

    Smith, Joshua Wyatt; The ATLAS collaboration

    2016-01-01

    The ATLAS experiment explores new hardware and software platforms that, in the future, may be more suited to its data intensive workloads. One such alternative hardware platform is the ARM architecture, which is designed to be extremely power efficient and is found in most smartphones and tablets. CERN openlab recently installed a small cluster of ARM 64-bit evaluation prototype servers. Each server is based on a single-socket ARM 64-bit system on a chip, with 32 Cortex-A57 cores. In total, each server has 128 GB RAM connected with four fast memory channels. This paper reports on the port of the ATLAS software stack onto these new prototype ARM64 servers. This included building the "external" packages that the ATLAS software relies on. Patches were needed to introduce this new architecture into the build as well as patches that correct for platform specific code that caused failures on non-x86 architectures. These patches were applied such that porting to further platforms will need no or only very little adj...

  14. Testing system for a fuel cells stack

    International Nuclear Information System (INIS)

    Culcer, Mihai; Iliescu, Mariana; Stefanescu, Ioan; Raceanu, Mircea; Enache, Adrian; Lazar, Roxana Elena

    2006-01-01

    Hydrogen and electricity together represent one of the most promising ways to realize sustainable energy, whilst fuel cells provide the most efficient conversion devices for converting hydrogen and possibly other fuels into electricity. Thus, the development of fuel cell technology is currently being actively pursued worldwide. Due to its simple operation and other fair characteristics, the Proton Exchange Membrane Fuel Cell (PEMFC) is especially suitable as a replacement for the internal combustion engine. The PEMFC is also being developed for decentralized electricity and heat generation in buildings and mobile applications. Starting with 2001 the Institute of Research - Development for Cryogenics and Isotopic Technologies - ICIT - Rm. Valcea developed research activities supported by the Romanian Ministry of Education and Research within the National Research Program in order to bridge the gap to European competencies in the area of hydrogen and fuel cells. The paper deals with the testing system designed and developed in ICIT Rm. Valcea as a flexible and versatile tool allowing a large scale of parameter settings and measurements on a single cell or on a fuel cells stack onto a wind range of output power values. (authors)

  15. Weyl magnons in noncoplanar stacked kagome antiferromagnets

    Science.gov (United States)

    Owerre, S. A.

    2018-03-01

    Weyl nodes have been experimentally realized in photonic, electronic, and phononic crystals. However, magnonic Weyl nodes are yet to be seen experimentally. In this paper, we propose Weyl magnon nodes in noncoplanar stacked frustrated kagome antiferromagnets, naturally available in various real materials. Most crucially, the Weyl nodes in the current system occur at the lowest excitation and possess a topological thermal Hall effect, therefore they are experimentally accessible at low temperatures due to the population effect of bosonic quasiparticles. In stark contrast to other magnetic systems, the current Weyl nodes do not rely on time-reversal symmetry breaking by the magnetic order. Rather, they result from explicit macroscopically broken time reversal symmetry by the scalar spin chirality of noncoplanar spin textures and can be generalized to chiral spin liquid states. Moreover, the scalar spin chirality gives a real space Berry curvature which is not available in previously studied magnetic Weyl systems. We show the existence of magnon arc surface states connecting projected Weyl magnon nodes on the surface Brillouin zone. We also uncover the first realization of triply-degenerate nodal magnon point in the noncollinear regime with zero scalar spin chirality.

  16. Lithiation-induced shuffling of atomic stacks

    KAUST Repository

    Nie, Anmin

    2014-09-10

    In rechargeable lithium-ion batteries, understanding the atomic-scale mechanism of Li-induced structural evolution occurring at the host electrode materials provides essential knowledge for design of new high performance electrodes. Here, we report a new crystalline-crystalline phase transition mechanism in single-crystal Zn-Sb intermetallic nanowires upon lithiation. Using in situ transmission electron microscopy, we observed that stacks of atomic planes in an intermediate hexagonal (h-)LiZnSb phase are "shuffled" to accommodate the geometrical confinement stress arising from lamellar nanodomains intercalated by lithium ions. Such atomic rearrangement arises from the anisotropic lithium diffusion and is accompanied by appearance of partial dislocations. This transient structure mediates further phase transition from h-LiZnSb to cubic (c-)Li2ZnSb, which is associated with a nearly "zero-strain" coherent interface viewed along the [001]h/[111]c directions. This study provides new mechanistic insights into complex electrochemically driven crystalline-crystalline phase transitions in lithium-ion battery electrodes and represents a noble example of atomic-level structural and interfacial rearrangements.

  17. Captioning Transformer with Stacked Attention Modules

    Directory of Open Access Journals (Sweden)

    Xinxin Zhu

    2018-05-01

    Full Text Available Image captioning is a challenging task. Meanwhile, it is important for the machine to understand the meaning of an image better. In recent years, the image captioning usually use the long-short-term-memory (LSTM as the decoder to generate the sentence, and these models show excellent performance. Although the LSTM can memorize dependencies, the LSTM structure has complicated and inherently sequential across time problems. To address these issues, recent works have shown benefits of the Transformer for machine translation. Inspired by their success, we develop a Captioning Transformer (CT model with stacked attention modules. We attempt to introduce the Transformer to the image captioning task. The CT model contains only attention modules without the dependencies of the time. It not only can memorize dependencies between the sequence but also can be trained in parallel. Moreover, we propose the multi-level supervision to make the Transformer achieve better performance. Extensive experiments are carried out on the challenging MSCOCO dataset and the proposed Captioning Transformer achieves competitive performance compared with some state-of-the-art methods.

  18. Structure of a filament of stacked octamers of human DMC1 recombinase

    International Nuclear Information System (INIS)

    Du, Liqin; Luo, Yu

    2013-01-01

    Octameric rings of DMC1 stacked into filaments in the crystal. Similar DMC1–DNA filaments have been observed previously using electron microscopy. Eukaryal DMC1 proteins play a central role in homologous recombination in meiosis by assembling at the sites of programmed DNA double-strand breaks and carrying out a search for allelic DNA sequences located on homologous chromatids. They are close homologs of eukaryal Rad51 and archaeal RadA proteins and are remote homologs of bacterial RecA proteins. These recombinases (also called DNA strand-exchange proteins) promote a pivotal strand-exchange reaction between homologous single-stranded and double-stranded DNA substrates. An octameric form of a truncated human DMC1 devoid of its small N-terminal domain (residues 1–83) has been crystallized. The structure of the truncated DMC1 octamer is similar to that of the previously reported full-length DMC1 octamer, which has disordered N-terminal domains. In each protomer, only the ATP cap regions (Asp317–Glu323) show a noticeable conformational difference. The truncated DMC1 octamers further stack with alternate polarity into a filament. Similar filamentous assemblies of DMC1 have been observed to form on DNA by electron microscopy

  19. Characterizing edge and stacking structures of exfoliated graphene by photoelectron diffraction

    International Nuclear Information System (INIS)

    Matsui, Fumihiko; Ishii, Ryo; Matsuda, Hiroyuki; Morita, Makoto; Kitagawa, Satoshi; Koh, Shinji; Daimon, Hiroshi; Matsushita, Tomohiro

    2013-01-01

    The two-dimensional C 1s photoelectron intensity angular distributions (PIADs) and spectra of exfoliated graphene flakes and crystalline graphite were measured using a focused soft X-ray beam. Suitable graphene samples were selected by thickness characterization using Raman spectromicroscopy after transferring mechanically exfoliated graphene flakes onto a 90-nm-thick SiO 2 film. In every PIAD, a Kagomé interference pattern was observed, particularly clearly in the monolayer graphene PIAD. Its origin is the overlap of the diffraction rings formed by an in-plane C-C bond honeycomb lattice. Thus, the crystal orientation of each sample can be determined. In the case of bilayer graphene, PIAD was threefold-symmetric, while those of monolayer graphene and crystalline graphite were sixfold-symmetric. This is due to the stacking structure of bilayer graphene. From comparisons with the multiple scattering PIAD simulation results, the way of layer stacking as well as the termination types in the edge regions of bilayer graphene flakes were determined. Furthermore, two different C 1s core levels corresponding to the top and bottom layers of bilayer graphene were identified. A chemical shift to a higher binding energy by 0.25 eV for the bottom layer was attributed to interfacial interactions. (author)

  20. Novel magnetic nanoparticles coated by benzene- and β-cyclodextrin-bearing dextran, and the sorption of polycyclic aromatic hydrocarbon

    DEFF Research Database (Denmark)

    Cho, Eunae; Tahir, Muhammad Nazir; Min Choi, Jae

    2015-01-01

    We present the synthesis of novel magnetic nanoparticles functionalized by benzene- and β-cyclodextrin-derivatized dextran. The grafting strategy was based on the [alkynyl-iron] cluster in the modified dextrans, which were prepared by click reaction from alkyne-modified dextran and benzyl azide......, the potential for removing polycyclic aromatic hydrocarbons such as phenanthrene and pyrene by sorption onto the nanomaterials was assessed. In the sorption, pi-stacking interactions of the benzene-derivatized dextran and host–guest chemistry of the β-cyclodextrin-derivatized dextran were considered...