WorldWideScience

Sample records for stacked aromatic rings

  1. Rhythmic ring-ring stacking drives the circadian oscillator clockwise.

    Science.gov (United States)

    Chang, Yong-Gang; Tseng, Roger; Kuo, Nai-Wei; LiWang, Andy

    2012-10-16

    The oscillator of the circadian clock of cyanobacteria is composed of three proteins, KaiA, KaiB, and KaiC, which together generate a self-sustained ∼24-h rhythm of phosphorylation of KaiC. The mechanism propelling this oscillator has remained elusive, however. We show that stacking interactions between the CI and CII rings of KaiC drive the transition from the phosphorylation-specific KaiC-KaiA interaction to the dephosphorylation-specific KaiC-KaiB interaction. We have identified the KaiB-binding site, which is on the CI domain. This site is hidden when CI domains are associated as a hexameric ring. However, stacking of the CI and CII rings exposes the KaiB-binding site. Because the clock output protein SasA also binds to CI and competes with KaiB for binding, ring stacking likely regulates clock output. We demonstrate that ADP can expose the KaiB-binding site in the absence of ring stacking, providing an explanation for how it can reset the clock.

  2. Understanding substituent effects in noncovalent interactions involving aromatic rings.

    Science.gov (United States)

    Wheeler, Steven E

    2013-04-16

    Noncovalent interactions involving aromatic rings such as π-stacking, cation/π, and anion/π interactions are central to many areas of modern chemistry. Decades of experimental studies have provided key insights into the impact of substituents on these interactions, leading to the development of simple intuitive models. However, gas-phase computational studies have raised some doubts about the physical underpinnings of these widespread models. In this Account we review our recent efforts to unravel the origin of substituent effects in π-stacking and ion/π interactions through computational studies of model noncovalent dimers. First, however, we dispel the notion that so-called aromatic interactions depend on the aromaticity of the interacting rings by studying model π-stacked dimers in which the aromaticity of one of the monomers can be "switched off". Somewhat surprisingly, the results show that not only is aromaticity unnecessary for π-stacking interactions, but it actually hinders these interactions to some extent. Consequently, when thinking about π-stacking interactions, researchers should consider broader classes of planar molecules, not just aromatic systems. Conventional models maintain that substituent effects in π-stacking interactions result from changes in the aryl π-system. This view suggests that π-stacking interactions are maximized when one ring is substituted with electron-withdrawing groups and the other with electron donors. In contrast to these prevailing models, we have shown that substituent effects in π-stacking interactions can be described in terms of direct, local interactions between the substituents and the nearby vertex of the other arene. As a result, in polysubstituted π-stacked dimers the substituents operate independently unless they are in each other's local environment. This means that in π-stacked dimers in which one arene is substituted with electron donors and the other with electron acceptors the interactions will

  3. 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?'

  4. 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?'

  5. Nuclear Magnetic Shieldings of Stacked Aromatic and Antiaromatic Molecules.

    Science.gov (United States)

    Sundholm, Dage; Rauhalahti, Markus; Özcan, Nergiz; Mera-Adasme, Raúl; Kussmann, Jörg; Luenser, Arne; Ochsenfeld, Christian

    2017-05-09

    Nuclear magnetic shieldings have been calculated at the density functional theory (DFT) level for stacks of benzene, hexadehydro[12]annulene, dodecadehydro[18]annulene, and hexabenzocoronene. The magnetic shieldings due to the ring currents in the adjacent molecules have been estimated by calculating nucleus independent molecular shieldings for the monomer in the atomic positions of neighbor molecules. The calculations show that the independent shielding model works reasonably well for the 1 H NMR shieldings of benzene and hexadehydro[12]annulene, whereas for the larger molecules and for the 13 C NMR shieldings the interaction between the molecules leads to shielding effects that are at least of the same size as the ring current contributions from the adjacent molecules. A better agreement is obtained when the nearest neighbors are also considered at full quantum mechanical (QM) level. The calculations suggest that the nearest solvent molecules must be included in the quantum mechanical system, at least when estimating solvent shifts at the molecular mechanics (MM) level. Current density calculations show that the stacking does not significantly affect the ring current strengths of the individual molecules, whereas the shape of the ring current for a single molecule differs from that of the stacked molecules.

  6. A new method for beam stacking in storage rings

    Energy Technology Data Exchange (ETDEWEB)

    Bhat, C.M.; /Fermilab

    2008-06-01

    Recently, I developed a new beam stacking scheme for synchrotron storage rings called 'longitudinal phase-space coating' (LPSC). This scheme has been convincingly validated by multi-particle beam dynamics simulations and has been demonstrated with beam experiments at the Fermilab Recycler. Here, I present the results from both simulations and experiments. The beam stacking scheme presented here is the first of its kind.

  7. Rhythmic ring–ring stacking drives the circadian oscillator clockwise

    Science.gov (United States)

    Chang, Yong-Gang; Tseng, Roger; Kuo, Nai-Wei; LiWang, Andy

    2012-01-01

    The oscillator of the circadian clock of cyanobacteria is composed of three proteins, KaiA, KaiB, and KaiC, which together generate a self-sustained ∼24-h rhythm of phosphorylation of KaiC. The mechanism propelling this oscillator has remained elusive, however. We show that stacking interactions between the CI and CII rings of KaiC drive the transition from the phosphorylation-specific KaiC–KaiA interaction to the dephosphorylation-specific KaiC–KaiB interaction. We have identified the KaiB-binding site, which is on the CI domain. This site is hidden when CI domains are associated as a hexameric ring. However, stacking of the CI and CII rings exposes the KaiB-binding site. Because the clock output protein SasA also binds to CI and competes with KaiB for binding, ring stacking likely regulates clock output. We demonstrate that ADP can expose the KaiB-binding site in the absence of ring stacking, providing an explanation for how it can reset the clock. PMID:22967510

  8. 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.

  9. Metal mediated amination of aromatic rings following carbon ...

    Indian Academy of Sciences (India)

    Administrator

    Metal-mediated reactions which result in addition of [NR]2– fragments belong to a reaction class of fundamental importance in chemistry in connection with carbon- nitrogen bond formation processes. In this presentation we wish to report our results on aromatic ring amination of a pendant phenyl ring of coordinated ...

  10. Metal mediated amination of aromatic rings following carbon ...

    Indian Academy of Sciences (India)

    Administrator

    Metal mediated amination of aromatic rings following carbon-nitrogen bond formation and the coordination chemistry thereof. AMRITA SAHA, AMIT K GHOSH, PARTHA MAJUMDAR and. SREEBRATA GOSWAMI. Department of Inorganic Chemistry, Indian Association for the Cultivation of. Science, Calcutta 700 032, India.

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

    Indian Academy of Sciences (India)

    A Kalpana

    2017-11-10

    Nov 10, 2017 ... the role of cation on haptotropic migration. Cation binding not only enhances the complex interaction energy but also delicately affects the fluxionality in the molecule by increasing the barrier to haptotropic shift of Cr(CO)3. The competing nature of the bifacial acids with sandwiched aromatic ring is ...

  12. 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

  13. 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

  14. 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.

  15. Stacking and energetic contribution of aromatic islands at the binding interface of antibody proteins

    Science.gov (United States)

    2010-01-01

    Background The enrichment and importance of some aromatic residues, such as Tyr and Trp, have been widely noticed at the binding interfaces of antibodies from many experimental and statistical results, some of which were even identified as “hot spots” contributing significantly greater to the binding affinity than other amino acids. However, how these aromatic residues influence the immune binding still deserves further investigation. A large-scale examination was done regarding the local spatial environment around the interfacial Tyr or Trp residues. Energetic contribution of these Tyr and Trp residues to the binding affinity was then studied regarding 82 representative antibody interfaces covering 509 immune complexes from the PDB database and IMGT/3Dstructure-DB. Results The connectivity analysis of interfacial residues showed that Tyr and Trp tended to cluster into the spatial Aromatic Islands (AI) rather than being distributed randomly at the antibody interfaces. Out of 82 antibody-antigen complexes, 72% (59) interfaces were found to contain AI with more than 3 aromatic residues. The statistical test against an empirical distribution indicated that the existence of AI was significant in about 60% representative antibody interfaces. Secondly, the loss of solvent accessible surface area (SASA) for side chains of aromatic residues between actually crowded state and independent state was nicely correlated with the AI size increasing in a linearly positive way which indicated that the aromatic side chains in AI tended to take a compact and ordered stacking conformation at the interfaces. Interestingly, the SASA loss of AI was also correlated roughly with the averaged gap of binding free energy between the theoretical and experimental data for immune complexes. Conclusions The results of our study revealed the wide existence and statistical significance of “Aromatic Island” (AI) composed of the spatially clustered Tyr and Trp residues at the antibody

  16. 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…

  17. 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.

  18. Aromaticity of distorted benzene rings: exploring the validity of different indicators of aromaticity.

    Science.gov (United States)

    Feixas, Ferran; Matito, Eduard; Poater, Jordi; Solà, Miquel

    2007-05-24

    The effect of three in-plane (bond length alternation, bond length elongation, and clamping) and three out-of-plane deformations (boatlike, chairlike, and pyramidalization) on the aromaticity of the benzene molecule has been analyzed employing seven widely used indicators of aromaticity. It is shown that only the aromatic fluctuation index (FLU) is able to indicate the expected loss of aromaticity because of distortion from the equilibrium geometry in all deformations analyzed. As FLU has been shown previously to fail in other particular situations, we conclude that there is not yet a single indicator of aromaticity that works properly for all cases. Therefore, to reach safer conclusions, aromaticity analyses should be carried out employing a set of aromaticity descriptors on the basis of different physical manifestations of aromaticity.

  19. Stabilization of anti-aromatic and strained five-membered rings with a transition metal

    Science.gov (United States)

    Zhu, Congqing; Li, Shunhua; Luo, Ming; Zhou, Xiaoxi; Niu, Yufen; Lin, Minglian; Zhu, Jun; Cao, Zexing; Lu, Xin; Wen, Tingbin; Xie, Zhaoxiong; Schleyer, Paul V. R.; Xia, Haiping

    2013-08-01

    Anti-aromatic compounds, as well as small cyclic alkynes or carbynes, are particularly challenging synthetic goals. The combination of their destabilizing features hinders attempts to prepare molecules such as pentalyne, an 8π-electron anti-aromatic bicycle with extremely high ring strain. Here we describe the facile synthesis of osmapentalyne derivatives that are thermally viable, despite containing the smallest angles observed so far at a carbyne carbon. The compounds are characterized using X-ray crystallography, and their computed energies and magnetic properties reveal aromatic character. Hence, the incorporation of the osmium centre not only reduces the ring strain of the parent pentalyne, but also converts its Hückel anti-aromaticity into Craig-type Möbius aromaticity in the metallapentalynes. The concept of aromaticity is thus extended to five-membered rings containing a metal-carbon triple bond. Moreover, these metal-aromatic compounds exhibit unusual optical effects such as near-infrared photoluminescence with particularly large Stokes shifts, long lifetimes and aggregation enhancement.

  20. 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.

  1. 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 ...

  2. 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.

  3. Quantum control of coherent π -electron ring currents in polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Mineo, Hirobumi; Fujimura, Yuichi

    2017-12-01

    We present results for quantum optimal control (QOC) of the coherent π electron ring currents in polycyclic aromatic hydrocarbons (PAHs). Since PAHs consist of a number of condensed benzene rings, in principle, there exist various coherent ring patterns. These include the ring current localized to a designated benzene ring, the perimeter ring current that flows along the edge of the PAH, and the middle ring current of PAHs having an odd number of benzene rings such as anthracene. In the present QOC treatment, the best target wavefunction for generation of the ring current through a designated path is determined by a Lagrange multiplier method. The target function is integrated into the ordinary QOC theory. To demonstrate the applicability of the QOC procedure, we took naphthalene and anthracene as the simplest examples of linear PAHs. The mechanisms of ring current generation were clarified by analyzing the temporal evolutions of the electronic excited states after coherent excitation by UV pulses or (UV+IR) pulses as well as those of electric fields of the optimal laser pulses. Time-dependent simulations of the perimeter ring current and middle ring current of anthracene, which are induced by analytical electric fields of UV pulsed lasers, were performed to reproduce the QOC results.

  4. The effect of perfluorination on the aromaticity of benzene and heterocyclic six-membered rings.

    Science.gov (United States)

    Wu, Judy I; Pühlhofer, Frank G; Schleyer, Paul von Ragué; Puchta, Ralph; Kiran, Boggavarapu; Mauksch, Michael; Hommes, Nico J R van Eikema; Alkorta, Ibon; Elguero, José

    2009-06-18

    Despite having six highly electronegative F's, perfluorobenzene C(6)F(6) is as aromatic as benzene. Ab initio block-localized wave function (BLW) computations reveal that both C(6)F(6) and benzene have essentially the same extra cyclic resonance energies (ECREs). Localized molecular orbital (LMO)-nucleus-independent chemical shifts (NICS) grids demonstrates that the F's induce only local paratropic contributions that are not related to aromaticity. Thus, all of the fluorinated benzenes (C(6)F(n)H((6-n)), n = 1-6) have similar ring-LMO-NICS(pi zz) values. However, 1,3-difluorobenzene 2b and 1,3,5-trifluorobenzene 3c are slightly less aromatic than their isomers due to a greater degree of ring charge alternation. Isoelectronic C(5)H(5)Y heterocycles (Y = BH(-), N, NH(+)) are as aromatic as benzene, based on their ring-LMO-NICS(pi zz) and ECRE values, unless extremely electronegative heteroatoms (e.g., Y = O(+)) are involved.

  5. 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

  6. Ring-Hydroxylating Oxygenase database: a database of bacterial aromatic ring-hydroxylating oxygenases in the management of bioremediation and biocatalysis of aromatic compounds.

    Science.gov (United States)

    Chakraborty, Joydeep; Jana, Tanmoy; Saha, Sudipto; Dutta, Tapan K

    2014-10-01

    Bacterial Rieske-type aromatic ring-hydroxylating oxygenases (RHOs) constitute a large family of enzymes, primarily involved in bioremediation of diverse aromatic compounds in the environment. In the present study, we have designed a manually curated database, Ring-Hydroxylating Oxygenase database (RHObase), which provides comprehensive information on all biochemically characterized bacterial RHOs. It consists of ∼ 1000 entries including 196 oxygenase α-subunits, 153 oxygenase β-subunits, 92 ferredoxins and 110 reductases, distributed among 131 different bacterial strains implementing a total of 318 oxygenation reactions. For each protein, users can get detailed information about its structure and conserved domain(s) with motif signature. RHObase allows users to search a query, based on organism, oxygenase, substrate, or protein structure. In addition, this resource provides analysis tools to perform blast search against RHObase for prediction of putative substrate(s) for the query oxygenase and its phylogenetic affiliation. Furthermore, there is an integrated cheminformatics tool to search for structurally similar compound(s) in the database vis-a-vis RHO(s) capable of transforming those compound(s). Resources in the RHObase and multiple search/display options therein are intended to provide oxygenase-related requisite information to researchers, especially working in the field of environmental microbiology and biocatalysis to attain difficult chemistry of biotechnological importance.

  7. 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.

  8. 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.

  9. 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.

  10. Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10]Annulenyl Dicationic Rings.

    Science.gov (United States)

    Jorner, Kjell; Feixas, Ferran; Ayub, Rabia; Lindh, Roland; Solà, Miquel; Ottosson, Henrik

    2016-02-18

    The low-lying triplet state of a recently published compound (TMTQ) was analyzed quantum chemically in light of suggestions that it is influenced by Baird aromaticity. Two mesomeric structures describe this state: 1) a zwitterionic Baird aromatic structure with a triplet diradical 8π-electron methano[10]annulene (M10A) dicationic ring and 2) a Hückel aromatic with a neutral closed-shell 10π-electron ring. According to charge and spin density distributions, the Hückel aromatic structure dominates the triplet state (the Baird aromatic contributes at most 12 %), and separation of the aromatic fluctuation index (FLU) into α and β electron contributions emphasizes this finding. The small singlet-triplet energy gap is due to Hückel aromaticity of the M10A ring, clarified by comparison to the smaller analogues of TMTQ. Yet, TMTQ and its analogues are Hückel-Baird hybrids allowing for tuning between closed-shell 4n+2 Hückel aromaticity and open-shell 4n Baird aromaticity. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Biocatalytic upgrading of petroleum distillates: ring cleavage of aromatic hydrocarbons and heterocycles commonly present in petroleum distillates

    Energy Technology Data Exchange (ETDEWEB)

    Fogth, J. M.; Wu, Q.; Fedorak, P. M.; Pickard, M. A. [Alberta Univ., Edmonton, AB (Canada); Gray, M. R. [Alberta Univ., Edmonton, AB (Canada). Dept. of Chemical Engineering

    1997-09-01

    The potential exists for microorganisms to selectively cleave the aromatic rings enzymatically under near-ambient conditions, yielding products that are more susceptible to hydrogenation than their parent compounds. In order to improve the understanding of this process, preliminary trials dealing with the first stage of the potential process were carried out using Pseudomonas fluorescens LP6a. This organism oxidizes (by enzymatic action) a wide range of aromatic hydrocarbons and heterocycles commonly present in petroleum middle distillate fractions. Mutants were generated and shown by mass spectrometry to produce the predicted aromatic ring fission products without carbon loss from pure aromatic substrates. The aromatic hydrocarbons and heterocycles dissolved in heptamethylnonane were transformed without altering the aliphatic carrier. 11 refs., 1 tab., 5 figs.

  12. 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.

  13. 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.

  14. 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.

  15. Aromatic C=C bonds as dipolarophiles: facile reactions of uncomplexed electron-deficient benzene derivatives and other aromatic rings with a non-stabilized azomethine ylide.

    Science.gov (United States)

    Lee, Sunyoung; Diab, Sonia; Queval, Pierre; Sebban, Muriel; Chataigner, Isabelle; Piettre, Serge R

    2013-05-27

    Non-stabilized azomethine ylide 4a reacts smoothly at room temperature with a variety of uncomplexed aromatic heterocycles and carbocycles on the condition that the ring contains at least one or two electron-withdrawing substituents, respectively. Aromatic substrates, including pyridine and benzene derivatives, participate as 2π components in [3+2] cycloaddition reactions and interact with one, two, or three equivalent(s) of the ylide, depending on their structure and substitution pattern. Thus, this process affords highly functionalized polycyclic structures that contain between one and three pyrrolidinyl ring(s) in useful yields. These results indicate that the site selectivity of the cycloaddition reactions strongly depends on both the nature and the positions of the substituents. In most cases, the second 1,3-dipolar reaction occurs on the opposite face to the one that contains the first pyrrolidinyl ring. DFT calculations on model compounds indicate that a concerted mechanism features a low activation barrier. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. 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

  17. 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.

  18. 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.

  19. A dissected ring current model for assessing magnetic aromaticity: a general approach for both organic and inorganic rings.

    Science.gov (United States)

    Foroutan-Nejad, Cina; Shahbazian, Shant; Feixas, Ferran; Rashidi-Ranjbar, Parviz; Solà, Miquel

    2011-08-01

    A model based on classical electrodynamics is used to measure the strength of ring currents of different molecular orbitals, i.e., σ- and π-orbitals, and characteristics of ring current loops, i.e., ring current radii and height of current loops above/below the ring planes, among a number of organic as well as inorganic molecules. For the π-current, the present model represents an improvement of previous approaches to determine ring current intensity. It is proven that the present model is more precise than previous models as they could not explain presence of the minimum in the plot of NICS(πzz) versus distance close to the ring plane. Variations in the charge of molecules and the types of constituent atoms of each species affect the ring current radii of both σ- and π-current loops as well as the height of π-current loops above/below the ring plane. It is suggested that variation in the distribution of the one-electron density in different systems is the main source of differences of the ring current characteristics. Copyright © 2011 Wiley Periodicals, Inc.

  20. Temperature dependent optical properties of stacked InGaAs/GaAs quantum rings

    Energy Technology Data Exchange (ETDEWEB)

    Ouerghui, W. [Unite de Recherche Des Physiques des Semiconducteurs et Capteurs, Institut Preparatoire aux Etudes Scientifiques et Techniques, La Marsa 2070, Tunis (Tunisia)], E-mail: ouerghuiwalid@yahoo.fr; Martinez-Pastor, J.; Gomis, J. [Instituto de Ciencia de los Materials, Universidad de Valencia, P.O. Box 22085, 46071 Valencia (Spain); Maaref, M. [Unite de Recherche Des Physiques des Semiconducteurs et Capteurs, Institut Preparatoire aux Etudes Scientifiques et Techniques, La Marsa 2070, Tunis (Tunisia); Granados, D.; Garcia, J.M. [Instituto de Microelectronica de Madrid, Isaac newton 8, 28760 Tres Cantos, Madrid (Spain)

    2008-07-01

    In this paper we describe the results of temperature dependent photoluminescence intensity and decay time measurements of In(Ga)As/GaAs quantum rings where the depth of barrier is varied from sample to sample. The activation energy found for the reduction of the exciton decay time as a function of the temperature is approximately half the value of the thermionic escape energy of excitons. The temperature dependant behaviour is ascribed to the carriers lost via the excited state to the WL. The time resolved PL study indicates that thermal escape mechanisms is not so affected by reducing the spacer thickness, but it's influenced essentially by the excited state recombination.

  1. Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasers.

    Science.gov (United States)

    Mineo, Hirobumi; Yamaki, Masahiro; Kim, Gap-Sue; Teranishi, Yoshiaki; Lin, Sheng Hsien; Fujimura, Yuichi

    2016-09-29

    A new laser-control scenario of unidirectional π-electron rotations in a low-symmetry aromatic ring molecule having no degenerate excited states is proposed. This scenario is based on dynamic Stark shifts of two relevant excited states using two linearly polarized stationary lasers. Each laser is set to selectively interact with one of the two electronic states, the lower and higher excited states are shifted up and down with the same rate, respectively, and the two excited states become degenerate at their midpoint. One of the four control parameters of the two lasers, i.e. two frequencies and two intensities, determines the values of all the other parameters. The direction of π-electron rotations, clockwise or counter-clockwise rotation, depends on the sign of the relative phase of the two lasers at the initial time. An analytical expression for the time-dependent expectation value of the rotational angular momentum operator is derived using the rotating wave approximation (RWA). The control scenario depends on the initial condition of the electronic states. The control scenario with the ground state as the initial condition was applied to toluene molecules. The derived time-dependent angular momentum consists of a train of unidirectional angular momentum pulses. The validity of the RWA was checked by numerically solving the time-dependent Schrödinger equation. The simulation results suggest an experimental realization of the induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules without using any intricate quantum-optimal control procedure. This may open up an effective generation method of ring currents and current-induced magnetic fields in biomolecules such as amino acids having aromatic ring molecules for searching their interactions.

  2. The angular electronic band structure and free particle model of aromatic molecules: High-frequency photon-induced ring current

    Science.gov (United States)

    Öncan, Mehmet; Koç, Fatih; Şahin, Mehmet; Köksal, Koray

    2017-05-01

    This work introduces an analysis of the relationship of first-principles calculations based on DFT method with the results of free particle model for ring-shaped aromatic molecules. However, the main aim of the study is to reveal the angular electronic band structure of the ring-shaped molecules. As in the case of spherical molecules such as fullerene, it is possible to observe a parabolic dispersion of electronic states with the variation of angular quantum number in the planar ring-shaped molecules. This work also discusses the transition probabilities between the occupied and virtual states by analyzing the angular electronic band structure and the possibility of ring currents in the case of spin angular momentum (SAM) or orbital angular momentum (OAM) carrying light. Current study focuses on the benzene molecule to obtain its angular electronic band structure. The obtained electronic band structure can be considered as a useful tool to see the transition probabilities between the electronic states and possible contribution of the states to the ring currents. The photoinduced current due to the transfer of SAM into the benzene molecule has been investigated by using analytical calculations within the frame of time-dependent perturbation theory.

  3. 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.

  4. Aromaticity in benzene-like rings-An experimental electron density ...

    Indian Academy of Sciences (India)

    An experimental charge density study has been carried out on perylene based on X-ray diffraction measurements at 130 K. The electron density and its associated properties have been evaluated at the bond and the ring critical points for the naphthalene residues as well as for the central ring. The variation of the Laplacian ...

  5. Low-Temperature Molecular Layer Deposition Using Monofunctional Aromatic Precursors and Ozone-Based Ring-Opening Reactions.

    Science.gov (United States)

    Svärd, Laura; Putkonen, Matti; Kenttä, Eija; Sajavaara, Timo; Krahl, Fabian; Karppinen, Maarit; Van de Kerckhove, Kevin; Detavernier, Christophe; Simell, Pekka

    2017-09-26

    Molecular layer deposition (MLD) is an increasingly used deposition technique for producing thin coatings consisting of purely organic or hybrid inorganic-organic materials. When organic materials are prepared, low deposition temperatures are often required to avoid decomposition, thus causing problems with low vapor pressure precursors. Monofunctional compounds have higher vapor pressures than traditional bi- or trifunctional MLD precursors, but do not offer the required functional groups for continuing the MLD growth in subsequent deposition cycles. In this study, we have used high vapor pressure monofunctional aromatic precursors in combination with ozone-triggered ring-opening reactions to achieve sustained sequential growth. MLD depositions were carried out by using three different aromatic precursors in an ABC sequence, namely with TMA + phenol + O 3 , TMA + 3-(trifluoromethyl)phenol + O 3 , and TMA + 2-fluoro-4-(trifluoromethyl)benzaldehyde + O 3 . Furthermore, the effect of hydrogen peroxide as a fourth step was evaluated for all studied processes resulting in a four-precursor ABCD sequence. According to the characterization results by ellipsometry, infrared spectroscopy, and X-ray reflectivity, self-limiting MLD processes could be obtained between 75 and 150 °C with each of the three aromatic precursors. In all cases, the GPC (growth per cycle) decreased with increasing temperature. In situ infrared spectroscopy indicated that ring-opening reactions occurred in each ABC sequence. Compositional analysis using time-of-flight elastic recoil detection indicated that fluorine could be incorporated into the film when 3-(trifluoromethyl)phenol and 2-fluoro-4-(trifluoromethyl)benzaldehyde were used as precursors.

  6. A BN Aromatic Ring Strategy for Tunable Hydroxy Content in Polystyrene.

    Science.gov (United States)

    van de Wouw, Heidi L; Lee, Jae Young; Awuyah, Elorm C; Klausen, Rebekka S

    2018-02-05

    BN 2-vinylnaphthalene, a BN aromatic vinyl monomer, is copolymerized with styrene under free radical conditions. Oxidation yields styrene-vinyl alcohol (SVA) statistical copolymers with tunable hydroxy group content. Comprehensive spectroscopic investigation provides proof of structure. Physical properties that vary systematically with hydroxy content include solubility and glass transition temperature. BN aromatic polymers represent a platform for the preparation of diverse functional polymeric architectures via the remarkable reaction chemistry of C-B bonds. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Aromatic character of planar boron-based clusters revisited by ring current calculations

    NARCIS (Netherlands)

    Hung Tan Pham, [Unknown; Lim, Kie Zen; Havenith, Remco W. A.; Minh Tho Nguyen, [No Value

    2016-01-01

    The planarity of small boron-based clusters is the result of an interplay between geometry, electron delocalization, covalent bonding and stability. These compounds contain two different bonding patterns involving both sigma and pi delocalized bonds, and up to now, their aromaticity has been

  8. 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 ...

  9. Ring flips revisited: (13)C relaxation dispersion measurements of aromatic side chain dynamics and activation barriers in basic pancreatic trypsin inhibitor.

    Science.gov (United States)

    Weininger, Ulrich; Modig, Kristofer; Akke, Mikael

    2014-07-22

    Intramolecular motions of proteins are critical for biological function. Transient structural fluctuations underlie a wide range of processes, including enzyme catalysis, ligand binding to buried sites, and generic protein motions, such as 180° rotation of aromatic side chains in the protein interior, but remain poorly understood. Understanding the dynamics and molecular nature of concerted motions requires characterization of their rates and energy barriers. Here we use recently developed (13)C transverse relaxation dispersion methods to improve our current understanding of aromatic ring flips in basic pancreatic trypsin inhibitor (BPTI). We validate these methods by benchmarking ring-flip rates against the three previously characterized cases in BPTI, namely, Y23, Y35, and F45. Further, we measure conformational exchange for one additional aromatic ring, F22, which can be interpreted in terms of a flip rate of 666 s(-1) at 5 °C. Upon inclusion of our previously reported result that Y21 also flips slowly [Weininger, U., et al. (2013) J. Phys. Chem. B 117, 9241-9247], the (13)C relaxation dispersion experiments thus reveal relatively slow ring-flip rates for five of eight aromatic residues in BPTI. These results are in contrast with previous reports, which have estimated that all rings, except Y23, Y35, and F45, flip with a high rate at ambient temperature. The (13)C relaxation dispersion data result in an updated rank order of ring-flip rates in BPTI, which agrees considerably better with that estimated from a recent 1 ms molecular dynamics trajectory than do previously published NMR data. However, significant quantitative differences remain between experiment and simulation, in that the latter yields flip rates that are in many cases too fast by 1-2 orders of magnitude. By measuring flip rates across a temperature range of 5-65 °C, we determined the activation barriers of ring flips for Y23, Y35, and F45. Y23 and F45 have identical activation parameters

  10. Excimer emission properties on pyrene-labeled protein surface: correlation between emission spectra, ring stacking modes, and flexibilities of pyrene probes.

    Science.gov (United States)

    Fujii, Akira; Sekiguchi, Yutaka; Matsumura, Hiroyoshi; Inoue, Tsuyoshi; Chung, Wen-Sheng; Hirota, Shun; Matsuo, Takashi

    2015-03-18

    The excimer emission of pyrene is popularly employed for investigating the association between pyrene-labeled biomolecules or between pyrene-labeled places in a biomolecule. The property of pyrene excimer emission is affected by the fluctuation in ring stacking modes, which originates from the structural flexibilities of pyrene probes and/or of labeled places. Investigations of the excimer emission in terms of dynamics of pyrene stacking modes provide the detailed spatial information between pyrene-labeled places. In order to evaluate the effects of probe structures and fluctuation in pyrene-pyrene association modes on their emission properties on protein surface, three types of pyrene probe with different linker lengths were synthesized and conjugated to two cysteine residues in the A55C/C77S/V169C mutant of adenylate kinase (Adk), an enzyme that shows a structural transition between OPEN and CLOSED forms. In the CLOSED form of Adk labeled by a pyrene probe with a short linker, excimer emission was found to be predominated by the ground-state association of pyrenes. The pyrene stacking structure on the protein surface was successfully determined by an X-ray crystallographic analysis. However, the emission decay in the protein suggested the existence of several stacking orientations in solution. With the increase in the linker length, the effect of fluctuation in pyrene association modes on the spectral properties distinctly emerged at both ground and excited states. The combination of steady-state and time-resolved spectroscopic analyses is useful for differentiation in the origin of the excimer emission, which is essential for precisely understanding the interaction fashions between pyrene-labeled biomolecules.

  11. Secondary Structures in a Freeze-Dried Lignite Humic Acid Fraction Caused by Hydrogen-Bonding of Acidic Protons with Aromatic Rings.

    Science.gov (United States)

    Cao, Xiaoyan; Drosos, Marios; Leenheer, Jerry A; Mao, Jingdong

    2016-02-16

    A lignite humic acid (HA) was separated from inorganic and non-HA impurities (i.e., aluminosilicates, metals) and fractionated by a combination of dialysis and XAD-8 resin. Fractionation revealed a more homogeneous structure of lignite HA. New and more specific structural information on the main lignite HA fraction is obtained by solid-state nuclear magnetic resonance (NMR) spectroscopy. Quantitative (13)C multiple cross-polarization (multiCP) NMR indicated oxidized phenyl propane structures derived from lignin. MultiCP experiments, conducted on potassium HA salts titrated to pH 10 and pH 12, revealed shifts consistent with carboxylate and phenolate formation, but structural changes associated with enolate formation from aromatic beta keto acids were not detected. Two-dimensional (1)H-(13)C heteronuclear correlation (2D HETCOR) NMR indicated aryl-aliphatic ketones, aliphatic and aromatic carboxyl groups, phenol, and methoxy phenyl ethers. Acidic protons from carboxyl groups in both the lignite HA fraction and a synthetic HA-like polycondensate were found to be hydrogen-bonded with electron-rich aromatic rings. Our results coupled with published infrared spectra provide evidence for the preferential hydrogen bonding of acidic hydrogens with electron-rich aromatic rings rather than adjacent carbonyl groups. These hydrogen-bonding interactions likely result from stereochemical arrangements in primary structures and folding.

  12. Synthesis of Poly-Substituted Benzene from Morita-Baylis-Hillman Adducts Via [3 + 1 + 2] Annulation Strategy: Palladium-catalyzed Domino Cyclization (5-exo/3-exo), Ring-Expansion by Palladium Rearrangement, and Aromatization

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ko Hoon; Kim, Su Yeon; Moon, Hye Ran; Kim, Jae Nyoung [Chonnam National University, Gwangju (Korea, Republic of)

    2016-02-15

    We reported the synthesis of nicotinates by palladium-catalyzed consecutive 5-exo/3-exo cyclization, ring-expansion, and subsequent aromatization process. As a continuous work, we envisaged that the synthesis of poly-substituted benzene ring could be achieved by using sulfonylacetate as an one-carbon linker. Poly-substituted benzene derivatives have been synthesized from MBH adducts by sequential introductions of sulfonylacetate and 2-bromoallyl bromides to MBH adducts, and a one-pot palladium catalyzed domino cyclization (5-exo/3-exo), ring-expansion by palladium rearrangement, and aromatization process.

  13. 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.

  14. Rapid and Controllable Hydrogen/Deuterium Exchange on Aromatic Rings of α-Amino Acids and Peptides

    OpenAIRE

    Murai, Yuta; Wang, Lei; Masuda, Katsuyoshi; Sakihama, Yasuko; Hashidoko, Yasuyuki; Hatanaka, Yasumaru; Hashimoto, Makoto

    2013-01-01

    Novel hydrogen/deuterium exchange for aromatic α-amino acids and their corresponding peptides were performed through the use of deuterated trifluoromethanesulfonic acid (TfOD). Detailed analysis of the exchange revealed that equal hydrogen/deuterium exchange was observed for phenylalanine, and specific exchange at the ortho-positions of phenol for tyrosine was also detected. The stereochemistry of the aromatic α-amino acids was retained under the exchange conditions. The hydrogen/deuterium ex...

  15. 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

  16. 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...

  17. Characterization of DitA3, the [Fe3S4] ferredoxin of an aromatic ring-hydroxylating dioxygenase from a diterpenoid-degrading microorganism.

    Science.gov (United States)

    Couture, Manon M-J; Martin, Vincent J J; Mohn, William W; Eltis, Lindsay D

    2006-09-01

    DitA3, a small soluble ferredoxin, is a component of a ring-hydroxylating dioxygenase involved in the microbial degradation of the diterpenoid, dehydroabietic acid. The anaerobic purification of a heterologously expressed his-tagged DitA3 yielded 20 mg of apparently homogeneous recombinant protein, rcDitA3, per liter of cell culture. Each mole of purified rcDitA3 contained 2.9 equivalents of iron and 4.2 equivalents of sulfur, indicating the presence of a single [Fe(3)S(4)] cluster. This conclusion was corroborated by UV-Visible absorption (epsilon(412)=13.4 mM(-1) cm(-1)) and EPR (g(x,y)=2.00 and g(z)=2.02) spectroscopies. The reduction potential of rcDitA3, determined using a highly oriented parallel graphite (HOPG) electrode, was -177.0+/-0.5 mV vs. the standard hydrogen electrode (SHE) (20 mM MOPS, 80 mM KCl, pH 7.0, 22 degrees C). This potential is similar to those of small, soluble Rieske-type ferredoxin components of aromatic-ring dihydroxylating dioxygenases. In contrast to these Rieske-type ferredoxins, DitA3 appears to exist as a dimer in solution. The dimeric ferredoxin may be more stable or may increase the catalytic efficiency of the dioxygenase by delivering the two reducing equivalents required for turnover of the oxygenase.

  18. 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...... of the phenyltriazole substituent, that is the 5-(4-phenyl-1,2,3-triazol-1-yl)-2'-deoxyuridine monomer Y, was found to destabilize the DNA:RNA duplex significantly, but stacking in the major groove compensated for this when two to four monomers were incorporated consecutively. Finally, the 5-phenyl-2'-deoxyuridine...

  19. 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

  20. Congener-specific determination of ultratrace levels of chlorinated and brominated polycyclic aromatic hydrocarbons in atmosphere and industrial stack gas by isotopic dilution gas chromatography/high resolution mass spectrometry method.

    Science.gov (United States)

    Jin, Rong; Liu, Guorui; Zheng, Minghui; Fiedler, Heidelore; Jiang, Xiaoxu; Yang, Lili; Wu, Xiaolin; Xu, Yang

    2017-08-04

    Isotopic dilution gas chromatography combined with high resolution mass spectrometry (GC/HRMS) has overwhelming advantages with respect to the accuracy of congener-specific ultratrace analysis of complex persistent organic pollutants (POPs) in environmental matrices. However, an isotopic dilution GC/HRMS method for analysis of chlorinated and brominated polycyclic aromatic hydrocarbons (Cl-PAHs and Br-PAHs) using 13 C-labelled congeners as internal standards has not been established. In this study, a method for identification and quantification of 38 congeners of Cl-PAHs and Br-PAHs in atmosphere and stack gas samples from waste incinerators was developed using the isotopic dilution GC/HRMS technique. The instrumental detection limits of the GC/HRMS method ranged from 0.2pg to 1.8pg for Cl-PAH congeners, and 0.7pg to 2.7pg for Br-PAH congeners, which were about three orders of magnitude lower than those of the GC/quadrupole MS method. This new method developed was also the first to enable determination of Cl-PAH and Br-PAH homologs comprising congeners with the same molecular skeleton and chlorine or bromine substitution numbers. Among the detected congeners, seven Cl-PAH congeners and thirteen Br-PAH congeners that were abundant in the atmosphere and stack gases released from waste incinerators were firstly detected in real samples and reported using the established isotopic dilution GC/HRMS method. The developed isotopic dilution GC/HRMS is significant and needed for better studying the environmental behavior and health risk of Cl-PAHs and Br-PAHs. Copyright © 2017 Elsevier B.V. All rights reserved.

  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. Algebraic stacks

    Indian Academy of Sciences (India)

    generally, any fiber product) is not uniquely defined: it is only defined up to unique isomorphism. ..... Fiber product. Given two morphisms f1 : F1 ! G, f2 : F2 ! G, we define a new stack. F1 آG F2 (with projections to F1 and F2) as follows. The objects are triples ًX1; X2; ق ..... In fact, any Artin stack F can be defined in this fashion.

  3. 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.)

  4. Algebraic stacks

    Indian Academy of Sciences (India)

    truct the 'moduli stack', that captures all the information that we would like in a fine moduli space. ..... the fine moduli space), it has the property that for any family W of vector bundles (i.e. W is a vector bundle over B ...... the etale topology is finer: V is a 'small enough open subset' because the square root can be defined on it.

  5. Formation of stacked luminescent complex of 8-hydroxyquinoline molecules on hydroxyapatite coating by using cold isostatic pressing.

    Science.gov (United States)

    Matsuya, Takehiko; Otsuka, Yuichi; Tagaya, Motohiro; Motozuka, Satoshi; Ohnuma, Kiyoshi; Mutoh, Yoshiharu

    2016-01-01

    Cold isostatic pressing successfully formed a chelate complex of 8-hydroxyquinoline (8 Hq) molecules on plasma-sprayed hydroxyapatite (HAp) coating by solid-state reaction. The complex emits a fluorescence peak at approximately 500 nm by UV irradiation. The red shift of the fluorescence was newly observed in the cases of highly compressed complex due to π - π stacking of aromatic ring in the molecular structure of 8 Hq. The immersed complex coating in Simulated Body Fluid (SBF) demonstrated amorphous apatite precipitation and kept its fluorescence property. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. 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.

  7. Superconductivity in aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kubozono, Yoshihiro, E-mail: kubozono@cc.okayama-u.ac.jp [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Japan Science and Technology Agency, ACT-C, Kawaguchi 332-0012 (Japan); Goto, Hidenori; Jabuchi, Taihei [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Yokoya, Takayoshi [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Kambe, Takashi [Department of Physics, Okayama University, Okayama 700-8530 (Japan); Sakai, Yusuke; Izumi, Masanari; Zheng, Lu; Hamao, Shino; Nguyen, Huyen L.T. [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Sakata, Masafumi; Kagayama, Tomoko; Shimizu, Katsuya [Center of Science and Technology under Extreme Conditions, Osaka University, Osaka 560-8531 (Japan)

    2015-07-15

    Highlights: • Aromatic superconductor is one of core research subjects in superconductivity. Superconductivity is observed in certain metal-doped aromatic hydrocarbons. Some serious problems to be solved exist for future advancement of the research. This article shows the present status of aromatic superconductors. - Abstract: ‘Aromatic hydrocarbon’ implies an organic molecule that satisfies the (4n + 2) π-electron rule and consists of benzene rings. Doping solid aromatic hydrocarbons with metals provides the superconductivity. The first discovery of such superconductivity was made for K-doped picene (K{sub x}picene, five benzene rings). Its superconducting transition temperatures (T{sub c}’s) were 7 and 18 K. Recently, we found a new superconducting K{sub x}picene phase with a T{sub c} as high as 14 K, so we now know that K{sub x}picene possesses multiple superconducting phases. Besides K{sub x}picene, we discovered new superconductors such as Rb{sub x}picene and Ca{sub x}picene. A most serious problem is that the shielding fraction is ⩽15% for K{sub x}picene and Rb{sub x}picene, and it is often ∼1% for other superconductors. Such low shielding fractions have made it difficult to determine the crystal structures of superconducting phases. Nevertheless, many research groups have expended a great deal of effort to make high quality hydrocarbon superconductors in the five years since the discovery of hydrocarbon superconductivity. At the present stage, superconductivity is observed in certain metal-doped aromatic hydrocarbons (picene, phenanthrene and dibenzopentacene), but the shielding fraction remains stubbornly low. The highest priority research area is to prepare aromatic superconductors with a high superconducting volume-fraction. Despite these difficulties, aromatic superconductivity is still a core research target and presents interesting and potentially breakthrough challenges, such as the positive pressure dependence of T{sub c} that is clearly

  8. Condensed aromatic rings and E{sub 4}/E{sub 6} ratio: humic acids in gleysoils studied by NMR CP/MAS{sup 13}C, and dipolar dephasing; Aneis aromaticos condensados e relacao E{sub 4}/E{sub 6}: estudo de acidos humicos de gleissolos por RMN de {sup 13}C no estado solido utilizando a tecnica CP/MAS desacoplamento defasado

    Energy Technology Data Exchange (ETDEWEB)

    Saab, Sergio da Costa [Universidade Estadual de Ponta Grossa, PR (Brazil). Dept. de Fisica]. E-mail: scsaab@uepg.br; Martin-Neto, Ladislau [Empresa Brasileira de Pesquisa Agropecuaria, Sao Carlos, SP (Brazil)

    2007-03-15

    In this work, seven samples of humic acids extracted from gleysoils were investigated. These studies, using NMR CP/MAS {sup 13}C techniques, did not show significant correlation between the E{sub 4}/E{sub 6} ratio and the degree of aromaticity. However, dipolar dephasing (DD) measurements of condensed aromatic or substituted carbons showed a negative correlation of 0.94. Also, there was a good correlation between the amount of semiquinone free radicals measured by the EPR technique and condensed aromatic rings measured by NMR CP/MAS {sup 13}C with the DD technique. The content of semiquinone free radicals was quantified by EPR spectroscopy and was correlated with the humification (degree of aromaticity) of the humic substances. The results indicated that the E{sub 4}/E{sub 6} ratio identifies the degree of aromatic rings condensation. It was also found that the degree of aromaticity, measured by NMR, as frequently presented in the literature (by conventional CP/MAS), underestimates aromatic rings in condensed structures. (author)

  9. 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.

  10. Substituent Effects in π-Stacking of Histidine on Functionalized-SWNT and Graphene.

    Science.gov (United States)

    Tian, Ge; Li, Huifang; Ma, Wanyong; Wang, Yixuan

    2015-06-15

    Adsorptions of histidine on the functionalized (10,0) single-walled carbon nanotube (SWNT) and graphene were investigated using density function theory methods, M05-2x and DFT-D. The results show that the binding of the histidine ring to the functionalized SWNT is weaker than that to the pristine SWNT for both singlet and triplet complexes, regardless of the electron-donating (-OH, -NH 2 ) or electron-withdrawing (-COOH) character and their attached sites. The present decreased binding is opposite to the well-known enhanced binding in the substituted benzene dimers. Since the atoms of the histidine are distant from the substituent atoms by over 6Å, there would be no direct interaction between histidine and the substituent as in the case of the substituted benzene systems. The decreased binding can be mainly driven by the aromaticity of the functionalized SWNT. The nucleus-independent chemical shift (NICS) index analysis for the functionalized SWNTs in deed shows that local aromaticity of SWNT is decreased because of the electron redistribution induced by functional groups, and the π-π stacking between the histidine ring and functionalized -SWNT is therefore decreased as compared to the pristine SWNT. However, the above trend does not remain for the binding between the histidine and graphene. The binding of the histidine to the functionalized graphene with -OH and -NH 2 is just slightly weaker than that to the pristine graphene, while its binding to COOH-SWNT becomes a little bit stronger.

  11. The role of cytochrome P4501A activity inhibition in three- to five-ringed polycyclic aromatic hydrocarbons embryotoxicity of marine medaka (Oryzias melastigma).

    Science.gov (United States)

    Mu, Jing-li; Wang, Xin-hong; Jin, Fei; Wang, Ju-ying; Hong, Hua-sheng

    2012-07-01

    The mode of action of PAHs that causes fish developmental malformations is unclear. The embryotoxicity of marine medaka (Oryzias melastigma) was investigated after individual exposure to three- to five-ring PAHs Phe, Py, and BaP or co-exposure with α-ANF for 18 days. We found that the relationships between EROD induction and developmental deformities of embryos showed a various pattern under different exposure scenarios of Phe, Py, and BaP, which suggested possibly different modes of action in determining the developmental toxicities. As for co-exposure scenarios of each PAH combined with ANF, it showed potentially synergistic effects. The inhibited CYP1A mediated enzyme activity by ANF after co-exposure did not effectively alleviate developmental toxicity of embryo. It showed potentially synergistic effects after co-exposure of marine fish embryos to CYP1A inhibitors and PAH-type CYP1A inducers. Heart deformities in the early life stages of marine medaka were recommended as a biomarker for indicating the extent of PAH pollution. Copyright © 2012 Elsevier Ltd. All rights reserved.

  12. 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

  13. Description of aromaticity in porphyrinoids.

    Science.gov (United States)

    Wu, Judy I; Fernández, Israel; Schleyer, Paul v R

    2013-01-09

    Like the larger nonplanar Möbius rings, porphyrinoid aromaticity is not due primarily to the macrocyclic π conjugation of the corresponding annulene perimeters. The block-localized wave function (BLW)-derived aromatic stabilization energies (ASE) of several porphyrinoids reveal that, on a per atom basis, the appended 6π electron heterocycles of porphyrinoids confer aromaticity much more effectively than the macrocyclic 4n+2 π electron conjugations. There is no direct relationship between thermochemical stability of porphyrinoids and their macrocyclic 4n or 4n+2 π electron counts. Porphyrinoids having an "antiaromatic" macrocyclic 4n+2 π electron conjugation pathway (e.g., 4) as well as those having no macrocyclic conjugation (e.g., 9) can be stabilized by aromaticity. Computed nucleus independent chemical shifts (NICS) and the anisotropy of the induced current density (ACID) disclose the intricate local versus macrocyclic circulation interplay for several porphyrinoids.

  14. Deploying OpenStack

    CERN Document Server

    Pepple, Ken

    2011-01-01

    OpenStack was created with the audacious goal of being the ubiquitous software choice for building public and private cloud infrastructures. In just over a year, it's become the most talked-about project in open source. This concise book introduces OpenStack's general design and primary software components in detail, and shows you how to start using it to build cloud infrastructures. If you're a developer, technologist, or system administrator familiar with cloud offerings such as Rackspace Cloud or Amazon Web Services, Deploying OpenStack shows you how to obtain and deploy OpenStack softwar

  15. 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.

  16. 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.

  17. 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. 

  18. Enhanced dynamical stability with harmonic slip stacking

    Directory of Open Access Journals (Sweden)

    Jeffrey Eldred

    2016-10-01

    Full Text Available We develop a configuration of radio-frequency (rf cavities to dramatically improve the performance of slip stacking. Slip stacking is an accumulation technique used at Fermilab to nearly double proton intensity by maintaining two beams of different momenta in the same storage ring. The two particle beams are longitudinally focused in the Recycler by two 53 MHz 100 kV rf cavities with a small frequency difference between them. We propose an additional 106 MHz 20 kV rf cavity with a frequency at the double the average of the upper and lower main rf frequencies. We show the harmonic rf cavity cancels out the resonances generated between the two main rf cavities and we derive the relationship between the harmonic rf voltage and the main rf voltage. We find the area factors that can be used to calculate the available phase space area for any set of beam parameters without individual simulation. We establish Booster beam quality requirements to achieve 99% slip stacking efficiency. We measure the longitudinal distribution of the Booster beam and use it to generate a realistic beam model for slip stacking simulation. We demonstrate that the harmonic rf cavity can not only reduce particle loss during slip stacking, but also reduce the final longitudinal emittance.

  19. 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.

  20. 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.

  1. From Dibismuthenes to Three- and Two-Coordinated Bismuthinidenes by Fine Ligand Tuning: Evidence for Aromatic BiC3N Rings through a Combined Experimental and Theoretical Study

    Czech Academy of Sciences Publication Activity Database

    Vránová, I.; Alonso, M.; Lo, Rabindranath; Sedlák, Robert; Jambor, R.; Růžička, A.; de Proft, F.; Hobza, Pavel; Dostál, L.

    2015-01-01

    Roč. 21, č. 47 (2015), s. 16917-16928 ISSN 0947-6539 Institutional support: RVO:61388963 Keywords : aromaticity * bismuth * heterocycles * N ligands * reduction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.771, year: 2015

  2. 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.

  3. 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

  4. Mechanisms for polycyclic aromatic hydrocarbon degradation by ligninolytic fungi.

    OpenAIRE

    Hammel, K E

    1995-01-01

    Ligninolytic fungi accomplish the partial degradation of numerous aromatic organopollutants. Their ability to degrade polycyclic aromatic hydrocarbons (PAHs) is particularly interesting because eukaryotes were previously considered to be unable to cleave fused-ring aromatics. Recent results indicate that extracellular peroxidases of these fungi are responsible for the initial oxidation of PAHs. Fungal lignin peroxidases oxidize certain PAHs directly, whereas fungal manganese peroxidases co-ox...

  5. magnetooptical phenomena in microcrystal suspensions of deuterated aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Spartakov, A.A.; Tolstoi, N.A. [St. Petersburg State Univ., Peterhof (Russian Federation)

    1995-11-01

    Magnetooptical studies of microcrystal suspensions of aromatic molecules containing polycondensed benzene rings with deuterium atoms substituted for hydrogen atoms showed that the new type of magnetism (aromagnetism) that was found in microcrystals of usual (undeuterated) aromatic compounds cannot be explained by the magnetic ordering of nuclear spins in these microcrystals. 4 refs., 1 fig.

  6. Polycyclic Aromatic Hydrocarbons in Air and their Toxic Potency

    Indian Academy of Sciences (India)

    Among the urban air pollutants, polycyclic aromatic hydrocar- bons (P AHs) are a large group of over 100 different chemical compounds with 2 to 7 aromatic rings. Large quantities of such compounds are released into environment by various human activities. Recently PAHs in the environment have become.

  7. Contorted polycyclic aromatics.

    Science.gov (United States)

    Ball, Melissa; Zhong, Yu; Wu, Ying; Schenck, Christine; Ng, Fay; Steigerwald, Michael; Xiao, Shengxiong; Nuckolls, Colin

    2015-02-17

    CONSPECTUS: This Account describes a body of research in the design, synthesis, and assembly of molecular materials made from strained polycyclic aromatic molecules. The strain in the molecular subunits severely distorts the aromatic molecules away from planarity. We coined the term "contorted aromatics" to describe this class of molecules. Using these molecules, we demonstrate that the curved pi-surfaces are useful as subunits to make self-assembled electronic materials. We have created and continue to study two broad classes of these "contorted aromatics": discs and ribbons. The figure that accompanies this conspectus displays the three-dimensional surfaces of a selection of these "contorted aromatics". The disc-shaped contorted molecules have well-defined conformations that create concave pi-surfaces. When these disc-shaped molecules are substituted with hydrocarbon side chains, they self-assemble into columnar superstructures. Depending on the hydrocarbon substitution, they form either liquid crystalline films or macroscopic cables. In both cases, the columnar structures are photoconductive and form p-type, hole- transporting materials in field effect transistor devices. This columnar motif is robust, allowing us to form monolayers of these columns attached to the surface of dielectrics such as silicon oxide. We use ultrathin point contacts made from individual single-walled carbon nanotubes that are separated by a few nanometers to probe the electronic properties of short stacks of a few contorted discs. We find that these materials have high mobility and can sense electron-deficient aromatic molecules. The concave surfaces of these disc-shaped contorted molecules form ideal receptors for the molecular recognition and assembly with spherical molecules such as fullerenes. These interfaces resemble ball-and-socket joints, where the fullerene nests itself in the concave surface of the contorted disc. The tightness of the binding between the two partners can be

  8. Quantifying aromaticity with electron delocalisation measures.

    Science.gov (United States)

    Feixas, Ferran; Matito, Eduard; Poater, Jordi; Solà, Miquel

    2015-09-21

    Aromaticity cannot be measured directly by any physical or chemical experiment because it is not a well-defined magnitude. Its quantification is done indirectly from the measure of different properties that are usually found in aromatic compounds such as bond length equalisation, energetic stabilisation, and particular magnetic behaviour associated with induced ring currents. These properties have been used to set up the myriad of structural-, energetic-, and magnetic-based indices of aromaticity known to date. The cyclic delocalisation of mobile electrons in two or three dimensions is probably one of the key aspects that characterise aromatic compounds. However, it has not been until the last decade that electron delocalisation measures have been widely employed to quantify aromaticity. Some of these new indicators of aromaticity such as the PDI, FLU, ING, and INB were defined in our group. In this paper, we review the different existing descriptors of aromaticity that are based on electron delocalisation properties, we compare their performance with indices based on other properties, and we summarise a number of applications of electronic-based indices for the analysis of aromaticity in interesting chemical problems.

  9. 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.

  10. On Stack Reconstruction Problem

    Directory of Open Access Journals (Sweden)

    V. D. Аkeliev

    2009-01-01

    Full Text Available The paper describes analytical investigations that study relation of fuel combustion regimes with concentration values of sulphur anhydride in flue gases and acid dew point. Coefficients of convective heat transfer at internal and external surfaces of stacks have been determined in the paper. The paper reveals the possibility to reconstruct stacks while using gas discharging channel made of composite material on the basis of glass-reinforced plastic which permits to reduce thermo-stressed actions on reinforced concrete and increase volume of released gases due to practically two-fold reduction of gas-dynamic pressure losses along the pipe length.

  11. 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.

  12. 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.

  13. po_stack_movie

    DEFF Research Database (Denmark)

    2009-01-01

    po_stack® er et reolsystem, hvis enkle elementer giver stor flexibilitet, variation og skulpturel virkning. Elementerne stables og forskydes frit, så reolens rum kan vendes til begge sider, være åbne eller lukkede og farvekombineres ubegrænset. Reolen kan let ombygges, udvides eller opdeles, når ...

  14. 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.

  15. π-Stacking interactions between G-quartets and circulenes: A ...

    Indian Academy of Sciences (India)

    Abstract. Structures of planar and bowl-shaped circulenes as well as their stacks with G-quartet (G4) have been investigated through dispersion-corrected Density Functional Theory (DFT-D). The binding energies are substantial ∼10 kcal/mol with d ∼3.5 Å between the stacking rings. The calculations show that G4 binds ...

  16. Planetary Rings

    Science.gov (United States)

    Tiscareno, Matthew S.

    Planetary rings are the only nearby astrophysical disks and the only disks that have been investigated by spacecraft (especially the Cassini spacecraft orbiting Saturn). Although there are significant differences between rings and other disks, chiefly the large planet/ring mass ratio that greatly enhances the flatness of rings (aspect ratios as small as 10- 7), understanding of disks in general can be enhanced by understanding the dynamical processes observed at close range and in real time in planetary rings.We review the known ring systems of the four giant planets, as well as the prospects for ring systems yet to be discovered. We then review planetary rings by type. The A, B, and C rings of Saturn, plus the Cassini Division, comprise our solar system's only dense broad disk and host many phenomena of general application to disks including spiral waves, gap formation, self-gravity wakes, viscous overstability and normal modes, impact clouds, and orbital evolution of embedded moons. Dense narrow rings are found both at Uranus (where they comprise the main rings entirely) and at Saturn (where they are embedded in the broad disk) and are the primary natural laboratory for understanding shepherding and self-stability. Narrow dusty rings, likely generated by embedded source bodies, are surprisingly found to sport azimuthally confined arcs at Neptune, Saturn, and Jupiter. Finally, every known ring system includes a substantial component of diffuse dusty rings.Planetary rings have shown themselves to be useful as detectors of planetary processes around them, including the planetary magnetic field and interplanetary impactors as well as the gravity of nearby perturbing moons. Experimental rings science has made great progress in recent decades, especially numerical simulations of self-gravity wakes and other processes but also laboratory investigations of coefficient of restitution and spectroscopic ground truth. The age of self-sustained ring systems is a matter of

  17. Energy Expenditure of Sport Stacking

    Science.gov (United States)

    Murray, Steven R.; Udermann, Brian E.; Reineke, David M.; Battista, Rebecca A.

    2009-01-01

    Sport stacking is an activity taught in many physical education programs. The activity, although very popular, has been studied minimally, and the energy expenditure for sport stacking is unknown. Therefore, the purposes of this study were to determine the energy expenditure of sport stacking in elementary school children and to compare that value…

  18. 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.

  19. The Vibration Ring. Phase 1; [Seedling Fund

    Science.gov (United States)

    Asnani, Vivake M.; Krantz, Timothy L.; Delap, Damon C.; Stringer, David B.

    2014-01-01

    The vibration ring was conceived as a driveline damping device to prevent structure-borne noise in machines. It has the appearance of a metal ring, and can be installed between any two driveline components like an ordinary mechanical spacer. Damping is achieved using a ring-shaped piezoelectric stack that is poled in the axial direction and connected to an electrical shunt circuit. Surrounding the stack is a metal structure, called the compression cage, which squeezes the stack along its poled axis when excited by radial driveline forces. The stack in turn generates electrical energy, which is either dissipated or harvested using the shunt circuit. Removing energy from the system creates a net damping effect. The vibration ring is much stiffer than traditional damping devices, which allows it to be used in a driveline without disrupting normal operation. In phase 1 of this NASA Seedling Fund project, a combination of design and analysis was used to examine the feasibility of this concept. Several designs were evaluated using solid modeling, finite element analysis, and by creating prototype hardware. Then an analytical model representing the coupled electromechanical response was formulated in closed form. The model was exercised parametrically to examine the stiffness and loss factor spectra of the vibration ring, as well as simulate its damping effect in the context of a simplified driveline model. The results of this work showed that this is a viable mechanism for driveline damping, and provided several lessons for continued development.

  20. Thyristor stack for pulsed inductive plasma generation.

    Science.gov (United States)

    Teske, C; Jacoby, J; Schweizer, W; Wiechula, J

    2009-03-01

    A thyristor stack for pulsed inductive plasma generation has been developed and tested. The stack design includes a free wheeling diode assembly for current reversal. Triggering of the device is achieved by a high side biased, self supplied gate driver unit using gating energy derived from a local snubber network. The structure guarantees a hard firing gate pulse for the required high dI/dt application. A single fiber optic command is needed to achieve a simultaneous turn on of the thyristors. The stack assembly is used for switching a series resonant circuit with a ringing frequency of 30 kHz. In the prototype pulsed power system described here an inductive discharge has been generated with a pulse duration of 120 micros and a pulse energy of 50 J. A maximum power transfer efficiency of 84% and a peak power of 480 kW inside the discharge were achieved. System tests were performed with a purely inductive load and an inductively generated plasma acting as a load through transformer action at a voltage level of 4.1 kV, a peak current of 5 kA, and a current switching rate of 1 kA/micros.

  1. Stack Caching Using Split Data Caches

    DEFF Research Database (Denmark)

    Nielsen, Carsten; Schoeberl, Martin

    2015-01-01

    In most embedded and general purpose architectures, stack data and non-stack data is cached together, meaning that writing to or loading from the stack may expel non-stack data from the data cache. Manipulation of the stack has a different memory access pattern than that of non-stack data, showing...... higher temporal and spatial locality. We propose caching stack and non-stack data separately and develop four different stack caches that allow this separation without requiring compiler support. These are the simple, window, and prefilling with and without tag stack caches. The performance of the stack...

  2. 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.

  3. Nb2©Au6: a molecular wheel with a short Nb 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 Nb triple bond coordinated by an Au6ring and reinforced by σ aromaticity.

    Science.gov (United States)

    Jian, Tian; Cheung, Ling Fung; Czekner, Joseph; Chen, Teng-Teng; Lopez, Gary V; Li, Wei-Li; Wang, Lai-Sheng

    2017-11-01

    We report a photoelectron spectroscopy and high-resolution photoelectron imaging study of a bimetallic Nb 2 Au 6 - cluster. Theoretical calculations, in conjunction with the experimental data, reveal that Nb 2 Au 6 -/0 possess high-symmetry D 6h structures featuring a Nb-Nb axis coordinated equatorially by an Au 6 ring. Chemical bonding analyses show that there are two π bonds and one σ bond in the Nb 2 moiety in Nb 2 ©Au 6 , as well as five totally delocalized σ bonds. The Nb 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 Nb triple bond is strengthened significantly by the delocalized σ bonds, resulting in an extremely short Nb-Nb bond length comparable to the quintuple bond in gaseous Nb 2 . The totally delocalized σ bonding in Nb 2 ©Au 6 is reminiscent of σ aromaticity, representing a new bonding mode in metal-ligand systems. The

  4. Storage rings

    Energy Technology Data Exchange (ETDEWEB)

    O' Neill, Gerald K.

    1963-04-15

    The development of storage rings is discussed. Advantages of such devices are pointed out as well as their limits, requirements, and design and fabrication problems. Information gained by the operation of small electron storage rings is included, and three experiments are proposed for colliding-beam facilities. (D.C.W.)

  5. 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.)

  6. Comparison of ring currents evaluated consistently at density functional and Hartree-Fock levels

    NARCIS (Netherlands)

    Havenith, Remco W. A.; Meijer, Anthony J. H. M.; Irving, Benjamin J.; Fowler, Patrick W.

    2009-01-01

    Ring-current maps give an immediate visualisation of aromaticity on the magnetic criterion-by which a cyclic system that supports diatropic (paratropic) current induced by a perpendicular magnetic field is aromatic (anti-aromatic). Calculations of maps with the ipsocentric choice of origin are made

  7. Passive stack ventilation

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, J.; Parkins, L.; Shaw, P.; Watkins, R. [Databuild, Birmingham (United Kingdom)

    1994-12-31

    The adequate ventilation of houses is essential for both the occupants and the building fabric. As air-tightness standards increase, background infiltration levels decrease and extra ventilation has to be designed into the building. Passive stack ventilation has many advantages - particularly when employed in low cost housing schemes -but it is essential that it performs satisfactorily. This paper give the results from monitoring two passive stack ventilation schemes. One scheme was a retrofit into refurbished local authority houses in which a package of energy efficiency measures had been taken and condensation had been a problem. The other series of tests were conducted on a new installation in a Housing Association development. Nine houses were monitored each of which had at least two passive vents. The results show air flow rates by the passive ducts equivalent to approximately 1 room air change per hour. The air flow in the ducts was influenced by both, internal to external temperature difference and wind speed and direction. (author)

  8. 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.

  9. Contributions of Phenylalanine 335 to Ligand Recognition by Human Surfactant Protein D: Ring Interactions with SP-D Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Crouch,E.; McDonald, B.; Smith, K.; Cararella, T.; Seaton, B.; Head, J.

    2006-01-01

    Surfactant Protein D (SP-D) is an innate immune effector that contributes to antimicrobial host defense and immune regulation. Interactions of SP-D with microorganisms and organic antigens involve binding of glycoconjugates to the C-type lectin carbohydrate recognition domain (CRD). A trimeric fusion protein encoding the human neck+CRD (hNCRD) bound to the aromatic glycoside, p-nitrophenyl-alpha-D-maltoside, with nearly a log-fold higher affinity than maltose, the prototypical competitor. Maltotriose, which has the same linkage pattern as the maltoside, bound with intermediate affinity. Site-directed substitution of leucine for phenylalanine 335 (Phe335) decreased affinities for the maltoside and maltotriose without significantly altering the affinity for maltose or glucose, and substitution of tyrosine or tryptophan for leucine restored preferential binding to maltotriose and the maltoside. A mutant with alanine at this position failed to bind to mannan or maltose-substituted solid supports. Crystallographic analysis of the hNCRD complexed with maltotriose or p-nitrophenyl-maltoside showed stacking of the terminal glucose or nitrophenyl ring with the aromatic ring of Phe335. Our studies indicate that Phe335, which is evolutionarily conserved in all known SP-Ds, plays important - if not critical roles - in SP-D function.

  10. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    A method to synthesise a polydimethylsiloxane-polyphenylmethylsiloxane (PDMS-PPMS) copolymer with electron-trapping effects has been developed utilising a quickhydrosilylation reaction at ambient temperature and crosslinking via hydrosilylation by a vinyl-functional crosslinker. The mechanism...... 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...

  11. Push-pull vs captodative aromaticity.

    Science.gov (United States)

    Shainyan, Bagrat A; Fettke, Anja; Kleinpeter, Erich

    2008-10-30

    Vinylogs of fulvalenes with cyclopropenyl and cyclopentadienyl moieties attached either to different carbon atoms ( c-C 3H 2CHCHC 5H 4- c, 7) or to the same carbon atom [XC( c-C 3H 2)( c-C 5H 4), 10] [X = CH 2; C(CN) 2; C(NH 2) 2; C(OCH 2) 2; O; c-C 3H 2; c-C 5H 4; SiH 2; CCl 2] of the double bond inserted between the two rings are examined theoretically at the B3LYP/6-311G(d,p) level. Both types of compounds are shown to possess aromaticity, which was called "push-pull" and "captodative" aromaticity, respectively. For the captodative mesoionic structures XC( c-C 3H 2)( c-C 5H 4), the presence of both the two aromatic moieties and the CC double bond is the necessary and sufficient condition for their existence as energetic minima on the potential energy surface. Aromatic stabilization energy (ASE) was assessed by the use of homodesmotic reactions and heats of hydrogenation. Spatial magnetic criteria (through space NMR shieldings, TSNMRS) of the two types of vinylogous fulvalenes 7 and 10 have been calculated by the GIAO perturbation method employing the nucleus independent chemical shift (NICS) concept of Paul von Rague Schleyer, and visualized as iso-chemical-shielding surfaces (ICSS) of various sizes and directions. TSNMRS values can be successfully employed to visualize and quantify the partial push-pull and captodative aromaticity of both the three- and five-membered ring moieties. In addition, the push -pull effect in compounds 7 and 10 could be quantified by the occupation quotient pi* CC/pi CC of the double bond inserted between the two rings.

  12. Determinantal rings

    CERN Document Server

    Bruns, Winfried

    1988-01-01

    Determinantal rings and varieties have been a central topic of commutative algebra and algebraic geometry. Their study has attracted many prominent researchers and has motivated the creation of theories which may now be considered part of general commutative ring theory. The book gives a first coherent treatment of the structure of determinantal rings. The main approach is via the theory of algebras with straightening law. This approach suggest (and is simplified by) the simultaneous treatment of the Schubert subvarieties of Grassmannian. Other methods have not been neglected, however. Principal radical systems are discussed in detail, and one section is devoted to each of invariant and representation theory. While the book is primarily a research monograph, it serves also as a reference source and the reader requires only the basics of commutative algebra together with some supplementary material found in the appendix. The text may be useful for seminars following a course in commutative ring theory since a ...

  13. 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.

  14. Vascular ring

    Science.gov (United States)

    ... trachea) and esophagus can lead to breathing and digestive problems. The more the ring presses down, the more severe the symptoms will be. Breathing problems may include: ... Digestive symptoms are rare, but may include: Choking Difficulty ...

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. Heptaphyrins: Expanded porphyrins with seven heterocyclic rings

    Indian Academy of Sciences (India)

    Unknown

    ring inversion. 1. Introduction. The syntheses of expanded porphyrins continue to attract the attention of chemists because of their diverse biological applications such as: anion receptors, photosensitizing agents, MRI contrast agents1 etc. They are also of interest, theoretically, to study the fundamental property of aromaticity ...

  20. 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…

  1. HPC Software Stack Testing Framework

    Energy Technology Data Exchange (ETDEWEB)

    2017-07-27

    The HPC Software stack testing framework (hpcswtest) is used in the INL Scientific Computing Department to test the basic sanity and integrity of the HPC Software stack (Compilers, MPI, Numerical libraries and Applications) and to quickly discover hard failures, and as a by-product it will indirectly check the HPC infrastructure (network, PBS and licensing servers).

  2. 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

  3. 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.

  4. 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)

  5. 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)

  6. PieceStack: Toward Better Understanding of Stacked Graphs.

    Science.gov (United States)

    Wu, Tongshuang; Wu, Yingcai; Shi, Conglei; Qu, Huamin; Cui, Weiwei

    2016-02-24

    Stacked graphs have been widely adopted in various fields, because they are capable of hierarchically visualizing a set of temporal sequences as well as their aggregation. However, because of visual illusion issues, connections between overly-detailed individual layers and overly-generalized aggregation are intercepted. Consequently, information in this area has yet to be fully excavated. Thus, we present PieceStack in this paper, to reveal the relevance of stacked graphs in understanding intrinsic details of their displayed shapes. This new visual analytic design interprets the ways through which aggregations are generated with individual layers by interactively splitting and re-constructing the stacked graphs. A clustering algorithm is designed to partition stacked graphs into sub-aggregated pieces based on trend similarities of layers. We then visualize the pieces with augmented encoding to help analysts decompose and explore the graphs with respect to their interests. Case studies and a user study are conducted to demonstrate the usefulness of our technique in understanding the formation of stacked graphs.

  7. Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal–organic solid solution

    Directory of Open Access Journals (Sweden)

    Ji-Jun Jiang

    2014-09-01

    Full Text Available A rare example is reported in which discrete Ag2L2 ring and (AgL∞ chain motifs [L = N,N′-bis(3-imidazol-1-yl-propyl-pyromellitic diimide] co-crystallize in the same crystal lattice with varying ratios and degrees of disorder. Crystal structures obtained from representative crystals reveal compatible packing arrangements of the cyclic and polymeric isomers within the crystal lattice, which enables them to co-exist within a crystalline solid solution. A feasible pathway for transformation between the isomers is suggested via facile rotation of the coordinating imidazolyl groups. This chemical system could provide a chance for direct observation of ring-opening isomerization at the crystal surface. Mass spectrometry and 1H NMR titration show a dynamic equilibrium between cyclic and oligomeric species in solution, and a potential crystallization process is suggested involving alignment of precursors directed by aromatic stacking interactions between pyromellitic diimide units, followed by ring-opening isomerization at the interface between the solid and the solution. Both cyclic and oligomeric species can act as precursors, with interconversion between them being facile due to a low energy barrier for rotation of the imidazole rings. Thermogravimetric analysis and variable-temperature powder X-ray diffraction indicate a transition to a different crystalline phase around 120°C, which is associated with loss of solvent from the crystal lattice.

  8. 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

  9. 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.

  10. Graphenes–Aromatic Giants

    Indian Academy of Sciences (India)

    Graphenes - Aromatic Giants. Ivan Gutman Boris Furtula. Volume 16 Issue 12 December 2011 pp 1238-1245. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/016/12/1238-1245. Keywords. Graphenes; polycyclic aromatic hydrocarbons; polyphenyls; condensed benzenes.

  11. Structures and properties of molecular torsion balances to decipher the nature of substituent effects on the aromatic edge-to-face interaction.

    Science.gov (United States)

    Gardarsson, Haraldur; Schweizer, W Bernd; Trapp, Nils; Diederich, François

    2014-04-14

    Various recent computational studies initiated this systematic re-investigation of substituent effects on aromatic edge-to-face interactions. Five series of Tröger base derived molecular torsion balances (MTBs), initially introduced by Wilcox and co-workers, showing an aromatic edge-to-face interaction in the folded, but not in the unfolded form, were synthesized. A fluorine atom or a trifluoromethyl group was introduced onto the edge ring in ortho-, meta-, and para-positions to the C-H group interacting with the face component. The substituents on the face component were varied from electron-donating to electron-withdrawing. Extensive X-ray crystallographic data allowed for a discussion on the conformational behavior of the torsional balances in the solid state. While most systems adopt the folded conformation, some were found to form supramolecular intercalative dimers, lacking the intramolecular edge-to-face interaction, which is compensated by the gain of aromatic π-stacking interactions between four aryl rings of the two molecular components. This dimerization does not take place in solution. The folding free enthalpy ΔG(fold) of all torsion balances was determined by (1)H NMR measurements by using 10 mM solutions of samples in CDCl3 and C6D6. Only the ΔG(fold) values of balances bearing an edge-ring substituent in ortho-position to the interacting C-H show a steep linear correlation with the Hammett parameter (σ(meta)) of the face-component substituent. Thermodynamic analysis using van't Hoff plots revealed that the interaction is enthalpy-driven. The ΔG(fold) values of the balances, in addition to partial charge calculations, suggest that increasing the polarization of the interacting C-H group makes a favorable contribution to the edge-to-face interaction. The largest contribution, however, seems to originate from local direct interactions between the substituent in ortho-position to the edge-ring C-H and the substituted face ring. © 2014 WILEY

  12. Synthesis and evaluation of aromaticity and tautomerization of ...

    Indian Academy of Sciences (India)

    Nurettin Menges

    the nucleus-independent chemical shift (NICS), has been proposed by Schleyer et al.11 It has been reported that the negative value of the absolute shielding was ...... titative Measures of Aromaticity for Mono-, Bi-, and. Tricyclic Penta- and Hexaatomic Heteroaromatic Ring. Systems and Their Interrelationships, Chem. Rev.

  13. 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.

  14. Annulation of aromatic imines via directed C-H bond activation.

    Science.gov (United States)

    Thalji, Reema K; Ahrendt, Kateri A; Bergman, Robert G; Ellman, Jonathan A

    2005-08-19

    A directed C-H bond activation approach to the synthesis of indans, tetralins, dihydrofurans, dihydroindoles, and other polycyclic aromatic compounds is presented. Cyclization of aromatic ketimines and aldimines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using (PPh3)3RhCl (Wilkinson's catalyst). The cyclization of a range of aromatic ketimines and aldimines provides bi- and tricyclic ring systems with good regioselectivity. Different ring sizes and substitution patterns can be accessed through the coupling of monosubstituted, 1,1- or 1,2-disubstituted, and trisubstituted alkenes bearing both electron-rich and electron-deficient functionality.

  15. 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.

  16. Six-Membered Aromatic Polyazides: Synthesis and Application

    Directory of Open Access Journals (Sweden)

    Sergei V. Chapyshev

    2015-10-01

    Full Text Available Aromatic polyazides are widely used as starting materials in organic synthesis and photochemical studies, as well as photoresists in microelectronics and as cross-linking agents in polymer chemistry. Some aromatic polyazides possess high antitumor activity, while many others are of considerable interest as high-energy materials and precursors of high-spin nitrenes and C3N4 carbon nitride nanomaterials. The use of aromatic polyazides in click-reactions may be a new promising direction in the design of various supramolecular systems possessing interesting chemical, physical and biological properties. This review is devoted to the synthesis, properties and applications of six-membered aromatic compounds containing three and more azido groups in the ring.

  17. 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.

  18. 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...

  19. 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..

  20. 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.

  1. Multiple Segmentation of Image Stacks

    DEFF Research Database (Denmark)

    Smets, Jonathan; Jaeger, Manfred

    2014-01-01

    We propose a method for the simultaneous construction of multiple image segmentations by combining a recently proposed “convolution of mixtures of Gaussians” model with a multi-layer hidden Markov random field structure. The resulting method constructs for a single image several, alternative...... segmentations that capture different structural elements of the image. We also apply the method to collections of images with identical pixel dimensions, which we call image stacks. Here it turns out that the method is able to both identify groups of similar images in the stack, and to provide segmentations...

  2. Simulating Small-Scale Object Stacking Using Stack Stability

    DEFF Research Database (Denmark)

    Kronborg Thomsen, Kasper; Kraus, Martin

    2015-01-01

    This paper presents an extension system to a closed-source, real-time physics engine for improving structured stacking behavior with small-scale objects such as wooden toy bricks. The proposed system was implemented and evaluated. The tests showed that the system is able to simulate several common...

  3. CHEMISTRY OF OXIDATION OF POLYCYCLIC AROMATIC HYDROCARBONS BY SOIL PSEUDOMONADS

    Science.gov (United States)

    Rogoff, Martin H.

    1962-01-01

    Rogoff, Martin H. (U.S. Bureau of Mines, Pittsburgh, Pa.). Oxidation of polycyclic aromatic hydrocarbons by soil pseudomonads. J. Bacteriol. 83:998–1004. 1962.—Substitution of phenanthrene by a methyl group at the 9-carbon blocks oxidation of the compound by a resting-cell suspension of a phenanthrene-grown soil pseudomonad. When 2-methylphenanthrene is provided, the oxidation rate is considerably higher; 3-methylphenanthrene is oxidized at a rate intermediate between the other two, even though the methyl group is attached to a carbon directly involved in ring splitting. Cells grown on naphthalene or anthracene oxidize phenanthrene at a much lower rate than cells grown with phenanthrene or 2-methylnaphthalene as the source of carbon. Naphthalene-grown cells also absorb less phenanthrene from aqueous solution than do their phenanthrene-grown counterparts. The data are in keeping with the hypothesis that polynuclear aromatic hydrocarbons attach to the relevant bacterial enzymes at carbon-carbon bonds of high electron density (K regions; localized double bonds), and that the ring-splitting reactions then occur at other bonds on the substrate molecule. The actual bond that undergoes fission is determined by the electronic and steric configurations of the enzyme-substrate complex. When linearly arranged aromatic compounds such as naphthalene or anthracene are attacked, attachment to an enzyme and ring splitting may take place on the same ring; angular aromatic compounds such as phenanthrene afford attachment to an enzyme at a bond in a ring other than the one containing the ring-splitting site. PMID:14493381

  4. Pressurized electrolysis stack with thermal expansion capability

    Science.gov (United States)

    Bourgeois, Richard Scott

    2015-07-14

    The present techniques provide systems and methods for mounting an electrolyzer stack in an outer shell so as to allow for differential thermal expansion of the electrolyzer stack and shell. Generally, an electrolyzer stack may be formed from a material with a high coefficient of thermal expansion, while the shell may be formed from a material having a lower coefficient of thermal expansion. The differences between the coefficients of thermal expansion may lead to damage to the electrolyzer stack as the shell may restrain the thermal expansion of the electrolyzer stack. To allow for the differences in thermal expansion, the electrolyzer stack may be mounted within the shell leaving a space between the electrolyzer stack and shell. The space between the electrolyzer stack and the shell may be filled with a non-conductive fluid to further equalize pressure inside and outside of the electrolyzer stack.

  5. The Direct FuelCell™ stack engineering

    Science.gov (United States)

    Doyon, J.; Farooque, M.; Maru, H.

    FuelCell Energy (FCE) has developed power plants in the size range of 300 kW to 3 MW for distributed power generation. Field-testing of the sub-megawatt plants is underway. The FCE power plants are based on its Direct FuelCell™ (DFC) technology. This is so named because of its ability to generate electricity directly from a hydrocarbon fuel, such as natural gas, by reforming it inside the fuel cell stack itself. All FCE products use identical 8000 cm 2 cell design, approximately 350-400 cells per stack, external gas manifolds, and similar stack compression systems. The difference lies in the packaging of the stacks inside the stack module. The sub-megawatt system stack module contains a single horizontal stack whereas the MW-class stack module houses four identical vertical stacks. The commonality of the design, internal reforming features, and atmospheric operation simplify the system design, reduce cost, improve efficiency, increase reliability and maintainability. The product building-block stack design has been advanced through three full-size stack operations at company's headquarters in Danbury, CT. The initial proof-of-concept of the full-size stack design was verified in 1999, followed by a 1.5 year of endurance verification in 2000-2001, and currently a value-engineered stack version is in operation. This paper discusses the design features, important engineering solutions implemented, and test results of FCE's full-size DFC stacks.

  6. Polycyclic aromatic hydrocarbons profile of kitchen dusts.

    Science.gov (United States)

    Iwegbue, Chukwujindu M A

    2011-03-01

    Concentrations and profiles of polycyclic aromatic hydrocarbons (PAHs) were determined in thirty dust samples collected from kitchens that use wood cook system (WCS), kerosene stove cook system (KSCS) and butane gas cook system (BGCS). The total PAHs concentrations ranged from 52 to 497, 39 to 96 and 37 to 155 μg kg(-1) for WCS, KSCS and BGCS respectively. The results indicate predominance of lower molecular weight (2-3 rings) over higher molecular weight PAHs and users of wood cook system are more exposed to higher levels of PAHs than the users of either kerosene cook system or butane gas cook system.

  7. 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.

  8. 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...

  9. 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.

  10. 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.

  11. 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.

  12. Highly condensed aromatics and their connection to hydrogenation asphalts

    Energy Technology Data Exchange (ETDEWEB)

    Boente, L.

    1944-11-22

    An attempt is made to account for the structure of asphalts and resins which arose in residues upon hydrogenation of coal. The main assumption is that most of these asphalts consisted of highly condensed aromatics, which are considered as derivatives of the substance coronene, which could be described as having the structure consisting of six benzene rings arranged around a central seventh benzene ring. Part of the discussion is speculative, but evidence is given which had led to that speculation. The asphalts had been very hard to analyze exactly, partly because of their very low solubility in most solvents and their very high boiling points. Possible mechanisms for the formation of such highly condensed aromatics during the hydrogenation process are described along with experimental work aimed in part at hydrogenating these aromatics and in part at producing them by condensation reactions of aluminum chloride on coronene. Some of the products of the condensation reactions even resembled coke or soot, while others were red substances which fluoresced green in phenanthrene solution. It is hypothesized that coronene could be looked upon as the basic nucleus for a whole series of highly condensed aromatic molecules, in the same way that benzene is looked upon as the basic nucleus for a whole series of aromatic compounds.

  13. 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)

  14. 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

  15. Development and durability of SOFC stacks

    Energy Technology Data Exchange (ETDEWEB)

    Beeaff, D.; Dinesen, A.R.; Mikkelsen, Lars; Nielsen, Karsten A.; Solvang, M.; Hendriksen, Peter V.

    2004-12-01

    The present project is a part of the Danish SOFC programme, which has the overall aim of establishing a Danish production of SOFC - cells, stacks and systems for economical and environmentally friendly power production. The aim of the present project was to develop and demonstrate (on a small scale, few cells, few thousand hours) a durable, thermally cyclable stack with high performance at 750 deg. C. Good progress towards this target has been made and demonstrated at the level of stack-elements (one cell between two interconnects) or small stacks (3 5 cells). Three different stacks or stack-elements have been operated for periods exceeding 3000 hr. The work has covered development of stack-components (seals, interconnects, coatings, contact layers), establishment of procedures for stack assembly and initiation, and detailed electrical characterisation with the aims of identifying performance limiting factors as well as long term durability. Further, post test investigations have been carried out to identify possible degradation mechanisms. (BA)

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

    Indian Academy of Sciences (India)

    A Kalpana

    2017-11-10

    Nov 10, 2017 ... Department of Chemistry, Sri Sarada College for Women (Autonomous), Salem, Tamil Nadu 636 016, India. E-mail: akilchem@gmail.com. MS received 24 July 2017; revised 23 .... B3LYP46,47 method, 6-31G(d) basis set48 was used for car- bon, oxygen, hydrogen atoms and metal ions (Li. +. , Na. + and. K.

  17. Ringing phenomenon of the fiber ring resonator.

    Science.gov (United States)

    Ying, Diqing; Ma, Huilian; Jin, Zhonghe

    2007-08-01

    A resonator fiber-optic gyro (R-FOG) is a high-accuracy inertial rotation sensor based on the Sagnac effect. A fiber ring resonator is the core sensing element in the R-FOG. When the frequency of the fiber ring resonator input laser is swept linearly with time, ringing of the output resonance curve is observed. The output field of the fiber ring resonator is derived from the superposition of the light transmitted through the directional coupler directly and the multiple light components circulated in the fiber ring resonator when the frequency of the laser is swept. The amplitude and phase of the output field are analyzed, and it is found that the difference in time for different light components in the fiber ring resonator to reach a point of destructive interference causes the ringing phenomenon. Finally the ringing phenomenon is observed in experiments, and the experimental results agree with the theoretical analysis well.

  18. 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

  19. 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

  20. Van Der Waals heterogeneous layer-layer carbon nanostructures involving π···H-C-C-H···π···H-C-C-H stacking based on graphene and graphane sheets.

    Science.gov (United States)

    Yuan, Kun; Zhao, Rui-Sheng; Zheng, Jia-Jia; Zheng, Hong; Nagase, Shigeru; Zhao, Sheng-Dun; Liu, Yan-Zhi; Zhao, Xiang

    2017-04-15

    Noncovalent interactions involving aromatic rings, such as π···π stacking, CH···π are very essential for supramolecular carbon nanostructures. Graphite is a typical homogenous carbon matter based on π···π stacking of graphene sheets. Even in systems not involving aromatic groups, the stability of diamondoid dimer and layer-layer graphane dimer originates from C - H···H - C noncovalent interaction. In this article, the structures and properties of novel heterogeneous layer-layer carbon-nanostructures involving π···H-C-C-H···π···H-C-C-H stacking based on [n]-graphane and [n]-graphene and their derivatives are theoretically investigated for n = 16-54 using dispersion corrected density functional theory B3LYP-D3 method. Energy decomposition analysis shows that dispersion interaction is the most important for the stabilization of both double- and multi-layer-layer [n]-graphane@graphene. Binding energy between graphane and graphene sheets shows that there is a distinct additive nature of CH···π interaction. For comparison and simplicity, the concept of H-H bond energy equivalent number of carbon atoms (noted as NHEQ), is used to describe the strength of these noncovalent interactions. The NHEQ of the graphene dimers, graphane dimers, and double-layered graphane@graphene are 103, 143, and 110, indicating that the strength of C-H···π interaction is close to that of π···π and much stronger than that of C-H···H-C in large size systems. Additionally, frontier molecular orbital, electron density difference and visualized noncovalent interaction regions are discussed for deeply understanding the nature of the C-H···π stacking interaction in construction of heterogeneous layer-layer graphane@graphene structures. We hope that the present study would be helpful for creations of new functional supramolecular materials based on graphane and graphene carbon nano-structures. © 2017 Wiley Periodicals, Inc. © 2017 Wiley

  1. Radical theory of rings

    CERN Document Server

    Gardner, JW

    2003-01-01

    Radical Theory of Rings distills the most noteworthy present-day theoretical topics, gives a unified account of the classical structure theorems for rings, and deepens understanding of key aspects of ring theory via ring and radical constructions. Assimilating radical theory's evolution in the decades since the last major work on rings and radicals was published, the authors deal with some distinctive features of the radical theory of nonassociative rings, associative rings with involution, and near-rings. Written in clear algebraic terms by globally acknowledged authorities, the presentation

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

    KAUST Repository

    Yin, Mengchen

    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.

  3. 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

  4. Alternative Donor--Acceptor Stacks from Crown Ethers and Naphthalene Diimide Derivatives: Rapid, Selective Formation from Solution and Solid State Grinding

    Energy Technology Data Exchange (ETDEWEB)

    Advanced Light Source; Liu, Yi; Klivansky, Liana; Cao, Dennis; Snauko, Marian; Teat, Simon J.; Struppe, Jochem O.; Koshkakaryan, Gayane

    2009-01-22

    Self assembling {pi}-conjugated molecules into ordered structures are of increasing interest in the field of organic electronics. One particular example is charge transfer complexes containing columnar alternative donor-acceptor (ADA) stacks, where neutral and ionic ground states can be readily tuned to modulate electrical, optical, and ferroelectrical properties. Aromatic-aromatic and charge transfer interactions have been the leading driving forces in assisting the self-assembly of ADA stacks. Various folding structures containing ADA stacks were assembled in solution with the aid of solvophobic or ion-binding interactions. Meanwhile, examples of solid ADA stacks, which are more appealing for practical use in devices, were obtained from cocrystalization of binary components or mesophase assembly of liquid crystals in bulk blends. Regardless of these examples, faster and more controllable approaches towards precise supramolecular order in the solid state are still highly desirable.

  5. On Benzene and Aromaticity

    Indian Academy of Sciences (India)

    intuition, deduction and simple experimentation also need to be retold. The creativity of scientists has an appeal that transcends the subject. Chemistry of aromatic compounds provides ample opportunities for the teacher to cover many of the above aspects. One can move from almost trivial questions to those that require ...

  6. On Benzene and Aromaticity

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 3; Issue 4. On Benzene and Aromaticity History and Some Folklore. M V Bhatt. General Article Volume 3 Issue 4 April 1998 pp 88-93. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/003/04/0088-0093 ...

  7. Graphenes – Aromatic Giants

    Indian Academy of Sciences (India)

    Srimath

    Polycyclic aromatic hydrocarbons (often abbreviated as PAH) are an important class of organic compounds. Students learn about them in any course on organic chemistry. The best known representatives are benzene (which, in fact, is cyclic, not polycy- clic), naphthalene, anthracene, phenanthrene and pyrene. Today.

  8. Biotechnological production of aromatic compounds of the extended shikimate pathway from renewable biomass.

    Science.gov (United States)

    Lee, Jin-Ho; Wendisch, Volker F

    2017-09-10

    Aromatic chemicals that contain an unsaturated ring with alternating double and single bonds find numerous applications in a wide range of industries, e.g. paper and dye manufacture, as fuel additives, electrical insulation, resins, pharmaceuticals, agrochemicals, in food, feed and cosmetics. Their chemical production is based on petroleum (BTX; benzene, toluene, and xylene), but they can also be obtained from plants by extraction. Due to petroleum depletion, health compliance, or environmental issues such as global warming, the biotechnological production of aromatics from renewable biomass came more and more into focus. Lignin, a complex polymeric aromatic molecule itself, is a natural source of aromatic compounds. Many microorganisms are able to catabolize a plethora of aromatic compounds and interception of these pathways may lead to the biotechnological production of value-added aromatic compounds which will be discussed for Corynebacterium glutamicum. Biosynthesis of aromatic amino acids not only gives rise to l-tryptophan, L-tyrosine and l-phenylalanine, but also to aromatic intermediates such as dehydroshikimate or chorismate from which value-added aromatic compounds can be derived. In this review, we will summarize recent strategies for the biotechnological production of aromatic and related compounds from renewable biomass by Escherichia coli, Pseudomonas putida, C. glutamicum and Saccharomyces cerevisiae. In particular, we will focus on metabolic engineering of the extended shikimate pathway. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. 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.

  10. Solid Oxide Fuel Cell Stack Diagnostics

    DEFF Research Database (Denmark)

    Mosbæk, Rasmus Rode; Barfod, Rasmus Gottrup

    . 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...... (EIS). The stack measurement geometry was optimized for EIS by careful selection of the placement of current feeds and voltage probes in order to minimize measurement errors. It was demonstrated that with the improved placement of current feeds and voltage probes it is possible to separate the loss...... 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...

  11. Proton nuclear magnetic resonance characterization of the aromatic residues in the variant-3 neurotoxin from Centruroides sculpturatus Ewing

    Energy Technology Data Exchange (ETDEWEB)

    Krishna, N.R.; Nettesheim, D.G.; Klevit, R.E.; Drobny, G.; Watt, D.D.; Bugg, C.E. (Univ. of Alabama, Birmingham (USA))

    1989-02-21

    The amino acid sequence for the variant-3 (CsE-v3) toxin from the venom of the scorpion Centruroides sculpturatus Ewing contains eight aromatic residues. By use of 2D NMR spectroscopic methods, the resonances from the individual protons (NH, C{sup alpha}H, C{sup beta}H{prime}, H{double prime}, and the ring) for each of the individual aromatic residues have been completely assigned. The spatial arrangement of the aromatic ring systems with respect to each other has been qualitatively analyzed by 2D-NOESY techniques. The results show that Trp-47, Tyr-4, and Tyr-42 are in close spatial proximity to each other. The NOESY contacts and the ring current induced shifts in the resonances of the individual protons of Tyr-4 and Trp-47 suggest that the aromatic ring planes of these residues are in an orthogonal arrangement. A comparison with the published crystal structure suggests that there is a minor rearrangement of the aromatic rings in the solution phase. No 2D-NOESY contacts involving Phe-44 and Tyr-14 to any other aromatic ring protons have been observed. The pH dependence of the aromatic ring proton chemical shifts has also been studied. These results suggest that the Tyr-58 phenolic group is experiencing a hydrogen-bonding interaction with a positively charged group, while Tyr-4, -14, -38, and -40 are experiencing through-space interactions with proximal negatively charged groups. These studies define the microenvironment of the aromatic residues in the variant-3 neurotoxin in aqueous solution.

  12. 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.

  13. 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

  14. Aromatic Structure in Simulates Titan Aerosol

    Science.gov (United States)

    Trainer, Melissa G.; Loeffler, M. J.; Anderson, C. M.; Hudson, R. L.; Samuelson, R. E.; Moore, M. A.

    2011-01-01

    Observations of Titan by the Cassini Composite Infrared Spectrometer (CIRS) between 560 and 20 per centimeter (approximately 18 to 500 micrometers) have been used to infer the vertical variations of Titan's ice abundances, as well as those of the aerosol from the surface to an altitude of 300 km [1]. The aerosol has a broad emission feature centered approximately at 140 per centimeter (71 micrometers). As seen in Figure 1, this feature cannot be reproduced using currently available optical constants from laboratory-generated Titan aerosol analogs [2]. The far-IR is uniquely qualified for investigating low-energy vibrational motions within the lattice structures of COITIDlex aerosol. The feature observed by CIRS is broad, and does not likely arise from individual molecules, but rather is representative of the skeletal movements of macromolecules. Since Cassini's arrival at Titan, benzene (C6H6) has been detected in the atmosphere at ppm levels as well as ions that may be polycyclic aromatic hydrocarbons (PAHs) [3]. We speculate that the feature may be a blended composite that can be identified with low-energy vibrations of two-dimensional lattice structures of large molecules, such as PAHs or nitrogenated aromatics. Such structures do not dominate the composition of analog materials generated from CH4 and N2 irradiation. We are performing studies forming aerosol analog via UV irradiation of aromatic precursors - specifically C6H6 - to understand how the unique chemical architecture of the products will influence the observable aerosol characteristics. The optical and chemical properties of the aromatic analog will be compared to those formed from CH4/N2 mixtures, with a focus on the as-yet unidentified far-IR absorbance feature. Preliminary results indicate that the photochemically-formed aromatic aerosol has distinct chemical composition, and may incorporate nitrogen either into the ring structure or adjoined chemical groups. These compositional differences are

  15. 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.

  16. 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

  17. 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...

  18. Irradiation of ethylene/styrene copolymers: evidence of sensitization of the aromatic moiety as counterpart of the radiation protection effect.

    Science.gov (United States)

    Ferry, M; Bessy, E; Harris, H; Lutz, P J; Ramillon, J-M; Ngono-Ravache, Y; Balanzat, E

    2012-02-16

    Molecules containing aromatics systems are more stable in the presence of ionizing radiations than alkanes. In the same way, introducing aromatic rings into aliphatic compounds increases their stability. The protective effect is nonlocal and likely results from the transfer of energy and species from the aliphatic moiety to the aromatic one. For years, it was commonly assumed that the aromatic moiety, which is very radiation resistant, accommodates the extra energy remaining unaffected. The use of Fourier transform infrared spectroscopy, online with high energy ion beam irradiation of ethylene/styrene random copolymers, allows us to bring experimental evidence that the benzene rings are sensitized by transfer reactions and consequently that this effect is more important in polymers with low benzene ring molar content.

  19. 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.

  20. Photodissociation of aromatic azides

    Science.gov (United States)

    Budyka, M. F.

    2008-08-01

    Quantitative data on the photochemical activity of aromatic azides and on the mechanism and kinetics of azido group photodissociation are analysed and described systematically for the first time. The results of quantum chemical calculations of the azide structure in the ground and lower electronically excited states and the potential energy surfaces along the reaction coordinate of the N-N2 bond dissociation are considered.

  1. Real Closed Rings and Real Closed * Rings

    OpenAIRE

    Capco, Jose

    2007-01-01

    Here we try to distinguish and compare different notions of real closedness mainly one developed by N. Schwartz in his Habilitationschrift and the other developed by A. Sankaranand K. Varadarajan which we shall call real closed *. We stick to the definition of real closed rings as defined and characterized N. Schwartz and we try to determine and characterize real closed rings that are real closed *. The main result is that real closed rings have unique real closure * and that real closure of ...

  2. Generalized data stacking programming model with applications

    Directory of Open Access Journals (Sweden)

    Hala Samir Elhadidy

    2016-09-01

    Full Text Available Recent researches have shown that, everywhere in various sciences the systems are following stacked-based stored change behavior when subjected to events or varying environments “on and above” their normal situations. This paper presents a generalized data stack programming (GDSP model which is developed to describe the system changes under varying environment. These changes which are captured with different ways such as sensor reading are stored in matrices. Extraction algorithm and identification technique are proposed to extract the different layers between images and identify the stack class the object follows; respectively. The general multi-stacking network is presented including the interaction between various stack-based layering of some applications. The experiments prove that the concept of stack matrix gives average accuracy of 99.45%.

  3. Hydrogen Embrittlement And Stacking-Fault Energies

    Science.gov (United States)

    Parr, R. A.; Johnson, M. H.; Davis, J. H.; Oh, T. K.

    1988-01-01

    Embrittlement in Ni/Cu alloys appears related to stacking-fault porbabilities. Report describes attempt to show a correlation between stacking-fault energy of different Ni/Cu alloys and susceptibility to hydrogen embrittlement. Correlation could lead to more fundamental understanding and method of predicting susceptibility of given Ni/Cu alloy form stacking-fault energies calculated from X-ray diffraction measurements.

  4. Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes.

    Science.gov (United States)

    Araújo, Diógenes Mendes; da Costa, Tamires Ferreira; Firme, Caio Lima

    2015-09-01

    There are four types of aromaticity criteria: energetic, electronic, magnetic and geometric. The delocalization, density and degeneracy-based index of aromaticity, D3BIA, is an electronic aromaticity index from QTAIM that is not reference dependent and can be used for aromatic, homoaromatic, sigma aromatic and other aromatic systems with varying ring size containing hetereoatoms or not. We used B3LYP, MP2 and MP3 methods to search for linear relations between well-known aromaticity indices and D3BIA for a series of acenes. We found that the D3BIA versus FLU correlation exceeded 91 % and reasonably good correlations exist between D3BIA and HOMA and between D3BIA and PDI. Previous works have shown that D3BIA can be used for homoaromatic systems and tetrahedrane derivatives (sigma aromaticity), but no previous work has validated D3BIA for benzenoid systems. This is the first time we have shown that D3BIA can be used successfully for benzenoid systems, for example, acenes. This work supports and validates the use of D3BIA in classical aromatic systems.

  5. 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.

  6. 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)

  7. Exploring aromatic chemical space with NEAT: novel and electronically equivalent aromatic template.

    Science.gov (United States)

    Tu, Meihua; Rai, Brajesh K; Mathiowetz, Alan M; Didiuk, Mary; Pfefferkorn, Jeffrey A; Guzman-Perez, Angel; Benbow, John; Guimarães, Cristiano R W; Mente, Scot; Hayward, Matthew M; Liras, Spiros

    2012-05-25

    In this paper, we describe a lead transformation tool, NEAT (Novel and Electronically equivalent Aromatic Template), which can help identify novel aromatic rings that are estimated to have similar electrostatic potentials, dipoles, and hydrogen bonding capabilities to a query template; hence, they may offer similar bioactivity profiles. In this work, we built a comprehensive heteroaryl database, and precalculated high-level quantum mechanical (QM) properties, including electrostatic potential charges, hydrogen bonding ability, dipole moments, chemical reactivity, and othe properties. NEAT bioisosteric similarities are based on the electrostatic potential surface calculated by Brood, using the precalculated QM ESP charges and other QM properties. Compared with existing commercial lead transformation software, (1) NEAT is the only one that covers the comprehensive heteroaryl chemical space, and (2) NEAT offers a better characterization of novel aryl cores by using high-evel QM properties that are relevant to molecular interactions. NEAT provides unique value to medicinal chemists quickly exploring the largely uncharted aromatic chemical space, and one successful example of its application is discussed herein.

  8. Mechanistic Investigation into the Decarboxylation of Aromatic Carboxylic Acids

    Energy Technology Data Exchange (ETDEWEB)

    Britt, P F; Buchanan, III, A C; Eskay, T P; Mungall, W S

    1999-08-22

    It has been proposed that carboxylic acids and carboxylates are major contributors to cross-linking reactions in low-rank coals and inhibit its thermochemical processing. Therefore, the thermolysis of aromatic carboxylic acids was investigated to determine the mechanisms of decarboxylation at temperatures relevant to coal processing, and to determine if decarboxylation leads to cross-linking (i.e., formation of more refractory products). From the thcrmolysis of simple and polymeric coal model compounds containing aromatic carboxylic acids at 250-425 °C, decarboxylation was found to occur primarily by an acid promoted ionic pathway. Carboxylate salts were found to enhance the decarboxylation rate, which is consistent with the proposed cationic mechanism. Thermolysis of the acid in an aromatic solvent, such as naphthalene, produced a small amount of arylated products (~5 mol%)), which constitute a low-temperature cross-link. These arylated products were formed by the rapid decomposition of aromatic anhydrides, which are in equilibrium with the acid. These anhydrides decompose by a free radical induced decomposition pathway to form atyl radicals that can add to aromatic rings to form cross-links or abstract hydrogen. Large amounts of CO were formed in the thennolysis of the anhydrides which is consistent with the induced decomposition pathway. CO was also formed in the thermolysis of the carboxylic acids in aromatic solvents which is consistent with the formation and decomposition of the anhydride. The formation of anhydride linkages and cross-links was found to be very sensitive to the reactions conditions. Hydrogen donor solvents, such as tetralin, and water were found to decrease the formation of arylated products. Silar reaction pathways were also found in the thermolysis of a polymeric model that contained aromatic carboxylic acids. In this case, anhydride formation and decomposition produced an insoluble polymer, while the O-methylated polymer and the non

  9. 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.)

  10. Aromatic molecules as spintronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Ojeda, J. H., E-mail: judith.ojeda@uptc.edu.co [Instituto de Alta investigación, Universidad de Tarapacá, Casilla 7D Arica (Chile); Grupo de Física de Materiales, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Orellana, P. A. [Departamento de Física, Universidad Técnica Federico Santa María, Casilla 110-V, Valparaíso (Chile); Laroze, D. [Instituto de Alta investigación, Universidad de Tarapacá, Casilla 7D Arica (Chile)

    2014-03-14

    In this paper, we study the spin-dependent electron transport through aromatic molecular chains attached to two semi-infinite leads. We model this system taking into account different geometrical configurations which are all characterized by a tight binding Hamiltonian. Based on the Green's function approach with a Landauer formalism, we find spin-dependent transport in short aromatic molecules by applying external magnetic fields. Additionally, we find that the magnetoresistance of aromatic molecules can reach different values, which are dependent on the variations in the applied magnetic field, length of the molecules, and the interactions between the contacts and the aromatic molecule.

  11. Efficient ring perception for the Chemistry Development Kit.

    Science.gov (United States)

    May, John W; Steinbeck, Christoph

    2014-01-30

    The Chemistry Development Kit (CDK) is an open source Java library for manipulating and processing chemical information. A key aspect in handling chemical structures is the determination of the chemical rings. The rings of a structure are used areas including descriptors, stereochemistry, similarity, screening and atom typing. The CDK includes multiple algorithms for determining the rings of a structure on demand. Non-unique descriptions of rings were often used due to the slower performance of the unique alternatives. Efficient algorithms for handling chemical ring perception have been implemented and optimised in the CDK. The algorithms provide much faster computation of new and existing types of rings. Several optimisation and implementation considerations are discussed which improve real case usage. The performance is measured on several publicly available data sets and in several cases the new implementations were found to be more than an order of magnitude faster. Algorithmic improvements allow handling of much larger datasets in reasonable time. Faster computation allows more appropriate rings to be utilised in procedures such as aromaticity. Several areas that require ring perception have also seen a noticeable improvement. The time taken to compute the unique rings is now comparable allowing a correct usage throughout the toolkit. All source code is open source and freely available.

  12. 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

  13. Stacking technology for a space constrained microsystem

    DEFF Research Database (Denmark)

    Heschel, Matthias; Kuhmann, Jochen Friedrich; Bouwstra, Siebe

    1998-01-01

    In this paper we present a stacking technology for an integrated packaging of an intelligent transducer which is formed by a micromachined silicon transducer and an integrated circuit chip. Transducer and circuitry are stacked on top of each other with an intermediate chip in between. The bonding...

  14. 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....

  15. 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...

  16. 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.

  17. 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

  18. 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.

  19. C-H and N-H bond dissociation energies of small aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Barckholtz, C.; Barckholtz, T.A.; Hadad, C.M.

    1999-01-27

    A survey of computational methods was undertaken to calculate the homolytic bond dissociation energies (BDEs) of the C-H and N-H bonds in monocyclic aromatic molecules that are representative of the functionalities present in coal. These include six-membered rings (benzene, pyridine, pyridazine, pyrimidine, pyrazine) and five-membered rings (furan, thiophene, pyrrole, oxazole). By comparison of the calculated C-H BDEs with the available experimental values for these aromatic molecules, the B3LYP/6-31G(d) level of theory was selected to calculate the BDEs of polycyclic aromatic hydrocarbons (PAHs), including carbonaceous PAHs (naphthalene, anthracene, pyrene, coronene) and heteroatomic PAHs (benzofuran, benzothiophene, indole, benzoxazole, quinoline, isoquinoline, dibenzofuran, carbazole). The cleavage of a C-H or a N-H bond generates a {sigma} radical that is, in general, localized at the site from which the hydrogen atom was removed. However, delocalization of the unpaired electron results in {approximately} 7 kcal {center{underscore}dot} mol{sup {minus}1} stabilization of the radical with respect to the formation of phenyl when the C-H bond is adjacent to a nitrogen atom in the azabenzenes. Radicals from five-membered rings are {approximately} 6 kcal {center{underscore}dot} mol{sup {minus}1} less stable than those formed from six-membered rings due to both localization of the spin density and geometric factors. The location of the heteroatoms in the aromatic ring affects the C-H bond strengths more significantly than does the size of the aromatic network. Therefore, in general, the monocyclic aromatic molecules can be used to predict the C-H BDE of the large PAHs within 1 kcal {center{underscore}dot} mol{sup {minus}1}.

  20. Birth Control Ring

    Science.gov (United States)

    ... Staying Safe Videos for Educators Search English Español Birth Control Ring KidsHealth / For Teens / Birth Control Ring What's in this article? What Is ... español Anillo vaginal anticonceptivo What Is It? The birth control ring is a soft, flexible, doughnut-shaped ...

  1. 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.

  2. Removal of aromatic nitro compounds from water by ozonation

    International Nuclear Information System (INIS)

    Wang Baozhen; Yin Jun

    1988-01-01

    Experimental studies were carried out on the removal of five species of aromatic nitro hydrocarbons by ozonation. Ultraviolet spectrograms with distinct absorption peaks were plotted for each of them. It has been found that the absorbances of aqueous solutions containing the single compounds mentioned above increase to different extents at the wave lengths ranging from 200 to 230 nanometers with increase of ozone dosages. This is ascribed to the nitrite ions splitting out of the benzene rings and being further oxidized to nitrate ions by ozonation. It has been indicated that the removal of the five species of aromatic nitro compounds by ozonation can well be expressed mathematically by first order reaction equations. Besides, the reaction constants and half-life periods for various species of the tested nitro compounds were calculated at different temperatures and pH. An ozonation effect index (OI) was developed in the study to express the degree of degradation of substrates by ozonation, by means of which the five aromatic nitro hydrocarbons were compared with each other and finally ranked in the following order from greatest to smallest degrees of degradation: p-nitroaniline > nitrobenzene > p-dinitrobenzene > p-nitrotoluene > m-dinitrobenzene. It has also found that the CODm/M ratio increases with ozone doses. This means that some easily degradable intermediates are produced, and increase in concentration with increase of ozone dose in the ozonation process. The mechanisms of removing the five aromatic nitro hydrocarbons are discussed from the viewpoint of orienting effects of substituent groups on the aromatic rings

  3. 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.

  4. Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory.

    Science.gov (United States)

    Yu, Donghai; Rong, Chunying; Lu, Tian; Chattaraj, Pratim K; De Proft, Frank; Liu, Shubin

    2017-07-19

    Even though the concept of aromaticity and antiaromaticity is extremely important and widely used, there still exist lots of controversies in the literature, which are believed to be originated from the fact that there are so many aromatic types discovered and at the same time there are many aromaticity indexes proposed. In this work, using seven series of substituted fulvene derivatives as an example and with the information-theoretic approach in density functional reactivity theory, we examine these concepts from a different perspective. We investigate the changing patterns of Shannon entropy, Fisher information, Ghosh-Berkowitz-Parr entropy, information gain, Onicescu information energy, and relative Renyi entropy on the ring carbon atoms of these systems. Meanwhile, we also consider variation trends of four representative kinds of aromaticity indexes such as FLU, HOMA, ASE and NICS. Statistical analyses among these quantities show that with the same ring structure of the derivatives, both information-theoretic quantities and aromaticity indexes obey the same changing pattern, which are valid across all seven systems studied. However, cross correlations between these two sets of quantities yield two completely opposite patterns. These ring-structure dependent correlations are in good agreement with Hückel's 4n + 2 rule of aromaticity and 4n rule of antiaromaticity. Our results should provide a novel and complementary viewpoint on how aromaticity and antiaromaticity should be appreciated and categorized. More studies are in progress to further our understanding about the matter.

  5. Physics of quantum rings

    CERN Document Server

    Fomin, Vladimir M

    2013-01-01

    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 po

  6. 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.

  7. 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.

  8. Experimental comparison of ring and diamond shaped planar Hall effect bridge magnetic field sensors

    DEFF Research Database (Denmark)

    Henriksen, Anders Dahl; Rizzi, Giovanni; Hansen, Mikkel Fougt

    2015-01-01

    sensors for negligible shape anisotropy. To experimentally validate this, we have fabricated both sensor geometries in the exchange-biased stack Ni80Fe20(tFM)/Cu(tCu)/ Mn80Ir20(10 nm) with tFM ¼ 10, 20, and 30 nm and tCu ¼ 0, 0.3, and 0.6 nm. Sensors from each stack were characterized by external magnetic......Planar Hall effect magnetic field sensors with ring and diamond shaped geometries are experimentally compared with respect to their magnetic field sensitivity and total signal variation. Theoretically, diamond shaped sensors are predicted to be 41% more sensitive than corresponding ring shaped...... improvement varied from 0% to 35% where the largest improvement was observed for sensor stacks with comparatively strong exchange bias. This is explained by the ring sensors being less affected by shape anisotropy than the diamond sensors. To study the effect of shape anisotropy, we also characterized sensors...

  9. 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.

  10. 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.

  11. Influence of supramolecular structures in crystals on parallel stacking interactions between pyridine molecules.

    Science.gov (United States)

    Janjić, Goran V; Ninković, Dragan B; Zarić, Snezana D

    2013-08-01

    Parallel stacking interactions between pyridines in crystal structures and the influence of hydrogen bonding and supramolecular structures in crystals on the geometries of interactions were studied by analyzing data from the Cambridge Structural Database (CSD). In the CSD 66 contacts of pyridines have a parallel orientation of molecules and most of these pyridines simultaneously form hydrogen bonds (44 contacts). The geometries of stacked pyridines observed in crystal structures were compared with the geometries obtained by calculations and explained by supramolecular structures in crystals. The results show that the mean perpendicular distance (R) between pyridine rings with (3.48 Å) and without hydrogen bonds (3.62 Å) is larger than that calculated, because of the influence of supramolecular structures in crystals. The pyridines with hydrogen bonds show a pronounced preference for offsets of 1.25-1.75 Å, close to the position of the calculated minimum (1.80 Å). However, stacking interactions of pyridines without hydrogen bonds do not adopt values at or close to that of the calculated offset. This is because stacking interactions of pyridines without hydrogen bonds are less strong, and they are more susceptible to the influence of supramolecular structures in crystals. These results show that hydrogen bonding and supramolecular structures have an important influence on the geometries of stacked pyridines in crystals.

  12. Two-electron Oxidation of a Twisted Non Anti-aromatic 40π ...

    Indian Academy of Sciences (India)

    Abstract. Expanded isophlorins are typical examples for stable anti-aromatic systems. Paratropic ring cur- rent effects are observed in their NMR spectra mainly due to their planar conformation. Herein we report the synthesis of the first twisted 40π expanded isophlorin and also its two-electron oxidation to a 38π dication.

  13. Tunable electro-optic filter stack

    Energy Technology Data Exchange (ETDEWEB)

    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.

  14. 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.

  15. Annulation of Aromatic Imines via Directed C-H BondActivation

    Energy Technology Data Exchange (ETDEWEB)

    Thalji, Reema K.; Ahrendt, Kateri A.; Bergman, Robert G.; Ellman,Jonathan A.

    2005-04-14

    A directed C-H bond activation approach to the synthesis of indans, tetralins, dihydrofurans, dihydroindoles, and other polycyclic aromatic compounds is presented. Cyclization of aromatic ketimines and aldimines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using (PPh{sub 3}){sub 3}RhCl (Wilkinson's catalyst). The cyclization of a range of aromatic ketimines and aldimines provides bi- and tricyclic ring systems with good regioselectivity. Different ring sizes and substitution patterns can be accessed through the coupling of monosubstituted, 1,1- or 1,2-disubstituted, and trisubstituted alkenes bearing both electron-rich and electron-deficient functionality.

  16. 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...

  17. Wearable solar cells by stacking textile electrodes.

    Science.gov (United States)

    Pan, Shaowu; Yang, Zhibin; Chen, Peining; Deng, Jue; Li, Houpu; Peng, Huisheng

    2014-06-10

    A new and general method to produce flexible, wearable dye-sensitized solar cell (DSC) textiles by the stacking of two textile electrodes has been developed. A metal-textile electrode that was made from micrometer-sized metal wires was used as a working electrode, while the textile counter electrode was woven from highly aligned carbon nanotube fibers with high mechanical strengths and electrical conductivities. The resulting DSC textile exhibited a high energy conversion efficiency that was well maintained under bending. Compared with the woven DSC textiles that are based on wire-shaped devices, this stacked DSC textile unexpectedly exhibited a unique deformation from a rectangle to a parallelogram, which is highly desired in portable electronics. This lightweight and wearable stacked DSC textile is superior to conventional planar DSCs because the energy conversion efficiency of the stacked DSC textile was independent of the angle of incident light. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. STACKING FAULT ENERGY IN HIGH MANGANESE ALLOYS

    Directory of Open Access Journals (Sweden)

    Eva Mazancová

    2009-04-01

    Full Text Available Stacking fault energy of high manganese alloys (marked as TWIP and TRIPLEX is an important parameter determining deformation mechanism type realized in above mentioned alloys. Stacking fault energy level can be asserted with a gliding of partial and/or full dislocations, b gliding mechanism and twinning deformation process in connection with increasing of fracture deformation level (deformation elongation and with increasing of simultaneously realized work hardening proces., c gliding mechanism and deformation induced e-martensite formation. In contribution calculated stacking fault energies are presented for various chemical compositions of high manganese alloys. Stacking fault energy dependences on manganese, carbon, iron and alluminium contents are presented. Results are confronted with some accessible papers.The aim of work is to deepen knowledge of presented data. The TWIP and TRIPLEX alloys can be held for promissing new automotive materials.

  19. Stack-Based Typed Assembly Language

    National Research Council Canada - National Science Library

    Morrisett, Greg

    1998-01-01

    .... This paper also formalizes the typing connection between CPS based compilation and stack based compilation and illustrates how STAL can formally model calling conventions by specifying them as formal translations of source function types to STAL types.

  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. Brane world black rings

    International Nuclear Information System (INIS)

    Sahay, Anurag; Sengupta, Gautam

    2007-01-01

    Five dimensional neutral rotating black rings are described from a Randall-Sundrum brane world perspective in the bulk black string framework. To this end we consider a rotating black string extension of a five dimensional black ring into the bulk of a six dimensional Randall-Sundrum brane world with a single four brane. The bulk solution intercepts the four brane in a five dimensional black ring with the usual curvature singularity on the brane. The bulk geodesics restricted to the plane of rotation of the black ring are constructed and their projections on the four brane match with the usual black ring geodesics restricted to the same plane. The asymptotic nature of the bulk geodesics are elucidated with reference to a bulk singularity at the AdS horizon. We further discuss the description of a brane world black ring as a limit of a boosted bulk black 2 brane with periodic identification

  3. 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

  4. 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 naphthalenearomatic sextet theory was used to predict the relative stability of arenes towards ring oxidation by permanganate. 2010 Elsevier Ltd. All rights reserved.

  5. 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...... 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...

  6. 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.

  7. Spannungsgesteuerter Ring-Oszillator

    OpenAIRE

    Wang, Z.; Thiede, A.

    1999-01-01

    The oscillator (1) of integrated monolithic design has several analogue amplifier units (2) connected in a ring. The individual amplifiers are frequency selective in regard to a resonance frequency. The phase displacements of the amplifiers are chosen so that the total phase displacement over the ring at the resonance frequencies of the amplifiers amounts to 3600 or a whole number multiple of that. The number of amplifiers selected corresponds to the overall quality factor for the ring oscill...

  8. Radioactive gold ring dermatitis

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.A.; Aldrich, J.E. (Dalhousie Univ., Halifax, Nova Scotia (Canada))

    1990-08-01

    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.

  9. 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...... is dedicated to vortex rings. Source rings are only briefly mentioned....

  10. 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

  11. Stacking for Cosmic Magnetism with SKA Surveys

    OpenAIRE

    Stil, J. M.; Keller, B. W.

    2015-01-01

    Stacking polarized radio emission in SKA surveys provides statistical information on large samples that is not accessible otherwise due to limitations in sensitivity, source statistics in small fields, and averaging over frequency (including Faraday synthesis). Polarization is a special case because one obvious source of stacking targets is the Stokes I source catalog, possibly in combination with external catalogs, for example an SKA HI survey or a non-radio survey. We point out the signific...

  12. Environmental Modeling Framework using Stacked Gaussian Processes

    OpenAIRE

    Abdelfatah, Kareem; Bao, Junshu; Terejanu, Gabriel

    2016-01-01

    A network of independently trained Gaussian processes (StackedGP) is introduced to obtain predictions of quantities of interest with quantified uncertainties. The main applications of the StackedGP framework are to integrate different datasets through model composition, enhance predictions of quantities of interest through a cascade of intermediate predictions, and to propagate uncertainties through emulated dynamical systems driven by uncertain forcing variables. By using analytical first an...

  13. Generalized data stacking programming model with applications

    OpenAIRE

    Hala Samir Elhadidy; Rawya Yehia Rizk; Hassen Taher Dorrah

    2016-01-01

    Recent researches have shown that, everywhere in various sciences the systems are following stacked-based stored change behavior when subjected to events or varying environments “on and above” their normal situations. This paper presents a generalized data stack programming (GDSP) model which is developed to describe the system changes under varying environment. These changes which are captured with different ways such as sensor reading are stored in matrices. Extraction algorithm and identif...

  14. Representations of stack triangulations in the plane

    OpenAIRE

    Selig, Thomas

    2013-01-01

    Stack triangulations appear as natural objects when defining an increasing family of triangulations by successive additions of vertices. We consider two different probability distributions for such objects. We represent, or "draw" these random stack triangulations in the plane $\\R^2$ and study the asymptotic properties of these drawings, viewed as random compact metric spaces. We also look at the occupation measure of the vertices, and show that for these two distributions it converges to som...

  15. The ring laser gyro

    Science.gov (United States)

    Chow, W. W.; Gea-Banacloche, J.; Pedrotti, L. M.; Sanders, V. E.; Schleich, W.; Scully, M. O.

    1985-01-01

    This paper presents a review of both active and passive ring laser devices. The operating principles of the ring laser are developed and discussed, with special emphasis given to the problems associated with the achievement of greater sensitivity and stability. First-principle treatments of the nature of quantum noise in the ring laser gyro and various methods designed to avoid low-rotation-rate lock-in are presented. Descriptions of state-of-the-art devices and current and proposed applications (including a proposed test of metric theories of gravity using a passive cavity ring laser) are given.

  16. 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...

  17. Detailed Electrochemical Characterisation of Large SOFC Stacks

    DEFF Research Database (Denmark)

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

    2012-01-01

    As solid oxide fuel cell (SOFC) technology is moving closer to a commercial break through, lifetime limiting factors, determination of the limits of safe operation and methods to measure the “state-of-health” of operating cells and stacks are becoming of increasing interest. This requires applica...... out at a range of ac perturbation amplitudes in order to investigate linearity of the response and the signal-to-noise ratio. Separation of the measured impedance into series and polarisation resistances was possible....... to analyse in detail. Today one is forced to use mathematical modelling to extract information about existing gradients and cell resistances in operating stacks, as mature techniques for local probing are not available. This type of spatially resolved information is essential for model refinement...... and validation, and helps to further the technological stack development. Further, more detailed information obtained from operating stacks is essential for developing appropriate process monitoring and control protocols for stack and system developers. An experimental stack with low ohmic resistance from Topsoe...

  18. 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.

  19. Isotopic exchange of hydrogen in aromatic amino acids

    International Nuclear Information System (INIS)

    Pshenichnikova, A.B.; Karnaukhova, E.N.; Mitsner, B.I.

    1993-01-01

    The kinetics of the isotopic replacement of hydrogen in the aromatic amino acids L-tryptophan, L-tyrosine, and L-phenylalanine in solutions of deuterochloric and deuterosulfuric acids in deuterium oxide were investigated by PMR spectroscopy. The reactions were shown to be of first orders with respect both to the concentration of the substrate and to the activity of the deuterium ion. The isotopic effects of hydrogen and the values of the activation energy of H-D exchange in different positions of the aromatic ring in tryptophan and tyrosine were determined. The effect of properties of the medium on the rate of the isotopic exchange of hydrogen is discussed. 17 refs., 2 figs., 2 tabs

  20. 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.

  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. Synthesis and crystal structure of a chiral aromatic amine chloride salt (C8H12N)Cl

    Science.gov (United States)

    Ben Salah, A. M.; Naїli, H.; Mhiri, T.; Bataille, T.

    2015-12-01

    The new organic chloride salt incorporating an aromatic primary amine with a chiral functional group, (S)-α-methylbenzylammonium), has been synthesized by slow evaporation method at room temperature. The crystals are trigonal with non-centrosymmetric sp. gr. R3. The crystal packing is determined by N-H···Cl hydrogen bonds and C-H···π interactions between the aromatic rings of the organic moieties, resulting in supramolecular architecture.

  3. 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

  4. 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.

  5. Polycyclic aromatic hydrocarbon formation during the gasification of sewage sludge in sub- and supercritical water: Effect of reaction parameters and reaction pathways.

    Science.gov (United States)

    Gong, Miao; Wang, Yulan; Fan, Yujie; Zhu, Wei; Zhang, Huiwen; Su, Ying

    2018-02-01

    The formation of polycyclic aromatic hydrocarbon is a widespread issue during the supercritical water gasification of sewage sludge, which directly reduces the gasification efficiency and restricts the technology practical application. The changes of the concentrations and forms as well as the synthesis rate of polycyclic aromatic hydrocarbons in the residues from supercritical water gasification of dewatered sewage sludge were investigated to understand influence factors and the reaction pathways. Results showed that the increase of reaction temperature during the heating period favours directly concentration of polycyclic aromatic hydrocarbon (especially higher-molecular-weight), especially when it raise above 300 °C. Lower heating and cooling rate essentially extend the total reaction time. Higher polycyclic aromatic hydrocarbon concentration and higher number of rings were generally promoted by lower heating and cooling rate, longer reaction time and higher reaction temperature. The lower-molecular-weight polycyclic aromatic hydrocarbons can be directly generated through the decomposition of aromatic-containing compounds in sewage sludge, as well as 3-ring and 4-ring polycyclic aromatic hydrocarbons can be formed by aromatization of steroids. Possible mechanisms of reaction pathways of supercritical water gasification of sewage sludge were also proposed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Biosynthesis of bacterial aromatic polyketides.

    Science.gov (United States)

    Zhan, Jixun

    2009-01-01

    Aromatic polyketides represent important members of the family of polyketides, which have displayed a wide assortment of bioactive properties, such as antibacterial, antitumor, and antiviral activities. Bacterial aromatic polyketides are mainly synthesized by type II polyketide synthases (PKSs). Whereas malonyl-CoA is exclusively used as the extender unit, starter units can vary in different aromatic polyketide biosynthetic pathways, leading to a variety of polyketide backbones. Once the polyketide chains are elongated by the minimal PKSs to the full length, the immediate tailoring enzymes including ketoreductases, oxygenases and cyclases will work on the nascent chains to form aromatic structures, which will be further decorated by those late tailoring enzymes such as methyltransferases and glycosyltransferases. The mechanistic studies on the biosynthetic pathways of aromatic polyketides such as oxytetracycline and pradimicin A have been extensively carried out in recent years. Engineered biosynthesis of novel "unnatural" polyketides has been achieved in heterologous hosts such as Streptomyces coelicolor and Escherichia coli. This review covers the most recent advances in aromatic polyketide biosynthesis, which provide new enzymes or methods for building novel polyketide biosynthetic machinery.

  7. 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

  8. Children of Sex Rings.

    Science.gov (United States)

    Hunt, Patricia; Baird, Margaret

    1990-01-01

    Outlines three major differentiating categories of children who were sexually abused by sex rings: level of fear, ability to trust, and disclosure confusion. Addresses denial and resistance regarding child sexual exploitation by a ring among practitioners in the child welfare system. (Author/BB)

  9. Illustration of Saturn's Rings

    Science.gov (United States)

    2001-01-01

    This illustration shows a close-up of Saturn's rings. These rings are thought to have formed from material that was unable to form into a Moon because of tidal forces from Saturn, or from a Moon that was broken up by Saturn's tidal forces.

  10. Relativistic ring models

    Energy Technology Data Exchange (ETDEWEB)

    Ujevic, Maximiliano [Universidade Federal do ABC (UFABC), Santo Andre, SP (Brazil). Centro de Ciencias Naturais e Humanas; Letelier, Patricio S.; Vogt, Daniel [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Matematica, Estatistica e Computacao Cientifica. Dept. de Matematica Aplicada

    2011-07-01

    Full text: Relativistic thick ring models are constructed using previously found analytical Newtonian potential-density pairs for flat rings and toroidal structures obtained from Kuzmin-Toomre family of discs. This was achieved by inflating previously constructed Newtonian ring potentials using the transformation |z|{yields}{radical}z{sup 2} + b{sup 2}, and then finding their relativistic analog. The models presented have infinite extension but the physical quantities decays very fast with the distance, and in principle, one could make a cut-off radius to consider it finite. In particular, we present systems with one ring, two rings and a disc with a ring. Also, the circular velocity of a test particle and its stability when performing circular orbits are presented in all these models. Using the Rayleigh criterion of stability of a fluid at rest in a gravitational field, we find that the different systems studied present a region of non-stability that appears in the intersection of the disc and the ring, and between the rings when they become thinner. (author)

  11. From Multi to Single Stack Automata

    Science.gov (United States)

    Atig, Mohamed Faouzi

    We investigate the issue of reducing the verification problem of multi-stack machines to the one for single-stack machines. For instance, elegant (and practically efficient) algorithms for bounded-context switch analysis of multi-pushdown systems have been recently defined based on reductions to the reachability problem of (single-stack) pushdown systems [10,18]. In this paper, we extend this view to both bounded-phase visibly pushdown automata (BVMPA) [16] and ordered multi-pushdown automata (OMPA) [1] by showing that each of their emptiness problem can be reduced to the one for a class of single-stack machines. For these reductions, we introduce effective generalized pushdown automata (EGPA) where operations on stacks are (1) pop the top symbol of the stack, and (2) push a word in some (effectively) given set of words L over the stack alphabet, assuming that L is in some class of languages for which checking whether L intersects regular languages is decidable. We show that the automata-based saturation procedure for computing the set of predecessors in standard pushdown automata can be extended to prove that for EGPA too the set of all predecessors of a regular set of configurations is an effectively constructible regular set. Our reductions from OMPA and BVMPA to EGPA, together with the reachability analysis procedure for EGPA, allow to provide conceptually simple algorithms for checking the emptiness problem for each of these models, and to significantly simplify the proofs for their 2ETIME upper bounds (matching their lower-bounds).

  12. 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...

  13. Imaging rings in ring imaging Cherenkov counters

    Energy Technology Data Exchange (ETDEWEB)

    Ratcliff, Blair N

    2002-11-25

    The general concepts used to form images in Ring Imaging Cherenkov (RICH) counters are described and their performance properties compared. Particular attention is paid to issues associated with imaging in the time dimension, especially in Detectors of Internally Reflected Cherenkov light (DIRCs).

  14. 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.

  15. Rings and their modules

    CERN Document Server

    Bland, Paul E

    2011-01-01

    This book is an introduction to the theory of rings and modules that goes beyond what one normally obtains in a graduate course in abstract algebra. In addition to the presentation of standard topics in ring and module theory, it also covers category theory, homological algebra and even more specialized topics like injective envelopes and projective covers, reflexive modules and quasi-Frobenius rings, and graded rings and modules. The book is a self-contained volume written in a very systematic style: allproofs are clear and easy for the reader to understand and allarguments are based onmaterials contained in the book. A problem sets follow each section. It is suitable for graduate and PhD students who have chosen ring theory for their research subject.

  16. 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.

  17. 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.

  18. 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.

  19. Contemporary sample stacking in analytical electrophoresis.

    Science.gov (United States)

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

    2015-01-01

    This contribution is a methodological review of the publications about the topic from the last 2 years. Therefore, it is primarily organized according to the methods and procedures used in surveyed papers and the origin and type of sample and specification of analytes form the secondary structure. The introductory part about navigation in the architecture of stacking brings a brief characterization of the various stacking methods, with the description of mutual links to each other and important differences among them. The main body of the article brings a survey of publications organized according to main principles of stacking and then according to the origin and type of the sample. Provided that the paper cited gave explicitly the relevant data, information about the BGE(s) used, procedure, detector employed, and reached LOD and/or concentration effect is given. The papers where the procedure used is a combination of diverse fragments and parts of various stacking techniques are mentioned in a special section on combined techniques. The concluding remarks in the final part of the review evaluate present state of art and the trends of sample stacking in CE. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Volatilisation of aromatic hydrocarbons from coal-tar contaminated soil

    International Nuclear Information System (INIS)

    Lindhardt, B.

    1994-09-01

    A study of the non-steady-state volatilisation of organic compounds from coal tar contaminated soil. The observed fluxes from the laboratory experiments were compared with the fluxes predicted by a diffusion model assuming that the behaviour of the compounds was ideal. The diffusive release from unsaturated soil was measured in the laboratory from soil samples originating from a former gasworks site, as well as from soils spiked in the laboratory with a single model compound. The volatilisation from the surface of coal-tar contaminated soil was measured from four samples of sandy soils originating from the same site. The flux was quantified for eleven selected aromatic hydrocarbons. Volatilisation was measured from similar coal tar contaminated soil samples located below a 5 cm layer of uncontaminated and biologically inhibited soil with a an organic carbon content of 1.1% or 0.11%.monocyclic aromatic compounds. The study showed that the flux of volatile aromatic hydrocarbons,the monocyclic and the 2-ringed polycyclic aromatic hydrocarbons from coal tar contaminated soil can be estimated within one order of magnitude by a model concept which assumes that the diffusion of the compounds is independent of each other and the change in the composition of the coal tar during the experimental period can be ignored. ignored. It requires that the distribution coefficients between the coal tar contaminated soil and water are known. Where the contaminated soil resides below uncontaminated soil, degradation of the aromatic hydrocarbons can be expected if the cover layer is aerobic. The degradation will reduce the flux significantly after a period of adaption. (AB)

  1. Gas and Particulate Sampling of Airborne Polycyclic Aromatic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lane, D.A.; Gundel, L.A.

    1995-10-01

    The denuder surfaces of the gas and particle (GAP) sampler (developed at the Atmospheric Environment Service of Environment Canada) have been modified by coating with XAD-4 resin, using techniques developed at Lawrence Berkeley National Laboratory (LBNL) for the lower capacity integrated organic vapor/particle sampler (IOVPS). The resulting high capacity integrated organic gas and particle sampler (IOGAPS) has been operated in ambient air at 16.7 L min{sup -1} for a 24-hour period in Berkeley, California, USA. Simultaneous measurements were made at the same collection rate with a conventional sampler that used a filter followed by two sorbent beds. Gas and particle partition measurements were determined for 13 polycyclic aromatic hydrocarbons (PAH) ranging from 2-ring to 6-ring species. The IOGAPS indicated a higher particle fraction of these compounds than did the conventional sampler, suggesting that the conventional sampler suffered from 'blow-off' losses from the particles collected on the filter.

  2. 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.

  3. 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.

  4. 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

  5. An evaluation of parallel optimization for OpenSolaris Network Stack

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Hongbo; Wu, Wenji; /Fermilab; Sun, Xian-He; /IIT, Chicago; DeMar, Phil; Crawford, Matt; /Fermilab

    2010-10-01

    Computing is now shifting towards multiprocessing. The fundamental goal of multiprocessing is improved performance through the introduction of additional hardware threads or cores (referred to as 'cores' for simplicity). Modern network stacks can exploit parallel cores to allow either message-based parallelism or connection-based parallelism as a means to enhance performance. OpenSolaris has redesigned and parallelized to better utilize additional cores. Three special technologies, named Softring Set, Soft ring and Squeue are introduced in OpenSolaris for stack parallelization. In this paper, we study the OpenSolaris packet receiving process and its core parallelism optimization techniques. Experiment results show that these techniques allow OpenSolaris to achieve better network I/O performance in multiprocessing environments; however, network stack parallelization has also brought extra overheads for system. An effective and efficient network I/O optimization in multiprocessing environments is required to cross all levers of the network stack from network interface to application.

  6. 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...... with the probe L1.26 confirmed the derivation from chromosome 13 and DNA polymorphism analysis showed maternal origin of the ring chromosome. Our results, together with a review of previous reports of cases with ring chromosome 13 with identified breakpoints, could neither support the theory of distinct clinical...

  7. 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

  8. 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.

  9. 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.

  10. Biochemical aromatization of 2-methyleneandrostenedione: stereochemistry of hydrogen removal at the C-1 position.

    Science.gov (United States)

    Numazawa, Mitsuteru; Handa, Wakako; Matsuzaki, Hisao

    2006-11-01

    To explore a stereochemistry of hydrogen removal at C-1 of the powerful aromatase inhibitor 2-methyleneandrostenedione (1), of which the A-ring conformation is markedly different from that of the natural substrate androstenedione (AD), in the course of the aromatase-catalyzed A-ring aromatization producing 2-methylestrone (2), we synthesized [1alpha-2H]labeled steroid 1 and its [1beta-2H]stereoisomer, and the metabolic fate of the C-1 deuterium in aromatization was analyzed by gas chromatography-mass spectrometry (GC-MS) in each. Parallel experiments with the natural substrates [1alpha-2H] and [1beta-2H]ADs were also carried out. The GC-MS analysis indicated that 2-methyl estrogen 2 produced from [1alpha-2H]labeled substrate 1 retained completely the 1alpha-deuterium (1beta-H elimination), while product 2 obtained from [1beta-2H]isomer 1 lost completely the 1beta-deuterium. Stereospecific 1beta-hydrogen elimination was also observed in the parallel experiments with the labeled ADs as established previously. The results indicate that biochemical aromatization of the 2-methylene steroid 1 proceeds through the 1beta-hydrogen removal concomitant with cleavage of the C(10)-C(19) bond, yielding 1(10),4-dienone 9, in a similar manner to that involved in AD aromatization. This would give additional evidence for the stereomechanisms for the last step of aromatization of AD, requiring the stereospecific 1beta-hydrogen abstraction and cleavage of the C(10)-C(19) bond, and for the enolization of a carbonyl group at C-3 in the A-ring aromatization.

  11. Design Handbook for a Stack Foundation

    OpenAIRE

    Tuominen, Vilma

    2011-01-01

    This thesis was made for Citec Engineering Oy Ab as a handbook and as a design tool for concrete structure designers. Handbook is about the Wärtsilä Power Plant stack structure, which is a base for about 40 meters high stack pipe. The purpose is to make a calculation base to support the design work, which helps the designer to check the right dimensions of the structure. Thesis is about to be for the concrete designers and also other designers and authorities. As an example I have used an...

  12. Simple model of stacking-fault energies

    DEFF Research Database (Denmark)

    Stokbro, Kurt; Jacobsen, Lærke Wedel

    1993-01-01

    A simple model for the energetics of stacking faults in fcc metals is constructed. The model contains third-nearest-neighbor pairwise interactions and a term involving the fourth moment of the electronic density of states. The model is in excellent agreement with recently published local-density ......A simple model for the energetics of stacking faults in fcc metals is constructed. The model contains third-nearest-neighbor pairwise interactions and a term involving the fourth moment of the electronic density of states. The model is in excellent agreement with recently published local...

  13. 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...... 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...... 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...

  14. 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.

  15. 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.

  16. 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.

  17. Dissolved and Suspended Polycyclic Aromatic Hydrocarbons (PAH) in the North Aegean Sea

    OpenAIRE

    HATZIANESTIS, I.; SKLIVAGOU, E.

    2002-01-01

    The distribution and sources of polycyclic aromatic hydrocarbons (PAH) were investigated in the seawater of the North Aegean Sea. The measured PAH concentrations in SPM are generally considered as elevated for open sea waters and were evenly distributed in the area. Their levels in the dissolved phase (1.6-33.0 ng/l) were much higher than those encountered in the corresponding particulate phases (0.04-10.2 ng/l). The PAH patterns in both phases were dominated by the three ring aromatics and t...

  18. Amphiphile replacement on carbon nanotube surfaces: Effect of aromatic groups on the interaction strength

    Energy Technology Data Exchange (ETDEWEB)

    Bluemmel, Pascal; Setaro, Antonio; Reich, Stephanie [Institut fuer Experimentalphysik, Freie Universitaet Berlin, Arnimallee 14, 14195 Berlin (Germany); Popeney, Chris S.; Trappmann, Britta; Haag, Rainer [Institut fuer Chemie und Biochemie, Freie Universitaet Berlin, Takustrasse 3, 14195 Berlin (Germany)

    2011-11-15

    Carbon nanotubes (CNTs) were solubilized using akyl/polyglycerol amphiphiles. Similar cosurfactants, bearing different aromatic moieties between head and tail, were added to these samples. The interaction strength between these amphiphiles and CNTs changes depending on the inserted aromatic moieties. The insertion of a phenyl ring allows the amphiphile to replace the starting one indicating a higher interaction strength, while the insertion of a triazol pentagon does not, suggesting that the interaction strength is lower. The replacement was monitored via PLE mapping. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. 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.

  20. Saturn's dynamic D ring

    Science.gov (United States)

    Hedman, M.M.; Burns, J.A.; Showalter, M.R.; Porco, C.C.; Nicholson, P.D.; Bosh, A.S.; Tiscareno, M.S.; Brown, R.H.; Buratti, B.J.; Baines, K.H.; Clark, R.

    2007-01-01

    The Cassini spacecraft has provided the first clear images of the D ring since the Voyager missions. These observations show that the structure of the D ring has undergone significant changes over the last 25 years. The brightest of the three ringlets seen in the Voyager images (named D72), has transformed from a narrow, <40-km wide ringlet to a much broader and more diffuse 250-km wide feature. In addition, its center of light has shifted inwards by over 200 km relative to other features in the D ring. Cassini also finds that the locations of other narrow features in the D ring and the structure of the diffuse material in the D ring differ from those measured by Voyager. Furthermore, Cassini has detected additional ringlets and structures in the D ring that were not observed by Voyager. These include a sheet of material just interior to the inner edge of the C ring that is only observable at phase angles below about 60??. New photometric and spectroscopic data from the ISS (Imaging Science Subsystem) and VIMS (Visual and Infrared Mapping Spectrometer) instruments onboard Cassini show the D ring contains a variety of different particle populations with typical particle sizes ranging from 1 to 100 microns. High-resolution images reveal fine-scale structures in the D ring that appear to be variable in time and/or longitude. Particularly interesting is a remarkably regular, periodic structure with a wavelength of ??? 30 ?? km extending between orbital radii of 73,200 and 74,000 km. A similar structure was previously observed in 1995 during the occultation of the star GSC5249-01240, at which time it had a wavelength of ??? 60 ?? km. We interpret this structure as a periodic vertical corrugation in the D ring produced by differential nodal regression of an initially inclined ring. We speculate that this structure may have formed in response to an impact with a comet or meteoroid in early 1984. ?? 2006 Elsevier Inc. All rights reserved.

  1. Child sex rings.

    OpenAIRE

    Wild, N J; Wynne, J M

    1986-01-01

    Details of 11 child sex rings identified in one working class community were obtained by interviewing investigating police officers and examining health and social services records. The rings contained 14 adult male perpetrators and 175 children aged 6-15 years. Most perpetrators used child ringleaders to recruit victims; others became a "family friend" or obtained a position of authority over children. Secrecy was encouraged and bribery, threats, and peer pressure used to induce participatio...

  2. 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

  3. Matrimonial ring structures

    OpenAIRE

    Hamberger, Klaus; Houseman, Michael; Daillant, Isabelle; White, Douglas R.; Barry, Laurent

    2006-01-01

    The paper deals with matrimonial rings, a particular kind of cycles in kinship networks which result when spouses are linked to each other by ties of consanguinity or affinity. By taking a network-analytic perspective, the paper endeavours to put this classical issue of structural kinship theory on a general basis, such as to allow conclusions which go beyond isolated discussions of particular ring types (like "cross-cousin marriage", "sister exchange", and so forth). The paper provides a def...

  4. 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.

  5. 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

  6. 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

  7. 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

  8. Testing of Electrodes, Cells and Short Stacks

    DEFF Research Database (Denmark)

    Hauch, Anne; Mogensen, Mogens Bjerg

    2017-01-01

    The present contribution describes the electrochemical testing and characterization of electrodes, cells, and short stacks. To achieve the maximum insight and results from testing of electrodes and cells, it is obviously necessary to have a good understanding of the fundamental principles...

  9. Stack Gas Scrubber Makes the Grade

    Science.gov (United States)

    Chemical and Engineering News, 1975

    1975-01-01

    Describes a year long test of successful sulfur dioxide removal from stack gas with a calcium oxide slurry. Sludge disposal problems are discussed. Cost is estimated at 0.6 mill per kwh not including sludge removal. A flow diagram and equations are included. (GH)

  10. 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.

  11. 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 ...

  12. 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

  13. The data type variety of stack algebras

    NARCIS (Netherlands)

    Bergstra, J.A.; Tucker, J.V.

    1995-01-01

    We define and study the class of all stack algebras as the class of all minimal algebras in a variety defined by an infinite recursively enumerable set of equations. Among a number of results, we show that the initial model of the variety is computable, that its equational theory is decidable,

  14. 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

  15. 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...

  16. 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...

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. source apportionment and distribution of polycyclic aromatic

    African Journals Online (AJOL)

    PTDFSA11_Laptop

    pyrogenic-derived from incomplete combustion of recent. (e.g., biomass .... aromatic hydrocarbons (PAHs) used as internal standards and surrogates: ..... w ood. Combustion petroleum petroleum petroleum. (a). SOURCE APPORTIONMENT AND DISTRIBUTION OF POLYCYCLIC AROMATIC HYDROCARBONS. 141 ...

  2. Environmental diagnostic analysis of ground water bacteria and their involvement in utilization of aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Wear, Jr., John Edmund [Wake Forest Univ., Winston-Salem, NC (United States)

    1993-05-01

    The objective of this study was to examine the hypothesis that select functional groups of bacteria from pristine sites have an innate ability to degrade synthetic aromatics that often contaminate groundwater environments,due to exposure to naturally occurring recalcitrant aromatics in their environment. This study demonstrates that subsurface microbial communities are capable of utilizing lignin and humic acid breakdown products. Utilizers of these compounds were found to be present in most all the wells tested. Even the deepest aquifer tested had utilizers present for all six of the aromatics tested. Highest counts for the aromatics tested were observed with the naturally occurring breakdown products of either lignin or humic acid. Carboxylic acids were found to be an important sole carbon source for groundwater bacteria possibly explained by the fact that they are produced by the oxidative cleavage of aromatic ring structures. The carbohydrate sole carbon sources that demonstrated the greatest densities were ones commonly associated with humics. This study indicates that utilization of naturally occurring aromatic compounds in the subsurface is an important nutritional source for groundwater bacteria. In addition, it suggests that adaptation to naturally occurring recalcitrant substrates is the origin of degradative pathways for xenobiotic compounds with analogous structure. This work has important implications for in situ bioremediation as a method of environmental cleanup.

  3. 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

  4. 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.

  5. Formyl-d aromatic aldehydes

    International Nuclear Information System (INIS)

    Chancellor, T.; Quill, M.; Bergbreiter, D.E.; Newcomb, M.

    1978-01-01

    A simple exchange reaction for preparation of aldehydes labeled with deuterium at the formyl carbon is described. It can be successfully accomplished with several aromatic aldehydes, a catalytic or stoichiometric amount of either potassium cyanide or a thiazolium salt, a weak Lewis base, and deuterium oxide as the deuterium source

  6. 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

  7. Fluostatins M-Q Featuring a 6-5-6-6 Ring Skeleton and High Oxidized A-Rings from Marine Streptomyces sp. PKU-MA00045.

    Science.gov (United States)

    Jin, Jing; Yang, Xiaoyan; Liu, Tan; Xiao, Hua; Wang, Guiyang; Zhou, Mengjie; Liu, Fawang; Zhang, Yingtao; Liu, Dong; Chen, Minghua; Cheng, Wei; Yang, Donghui; Ma, Ming

    2018-03-09

    Aromatic polyketides from marine actinomycetes have received increasing attention due to their unusual structures and potent bioactivities. Compared to their terrestrial counterparts, marine aromatic polyketides have been less discovered and their structural and biological diversities are far from being fully investigated. In this study, we employed a PCR-based genome mining method to discover aromatic polyketides in our marine bacteria collection. Five new atypical angucyclinones, fluostatins M-Q ( 1 - 5 ) featuring a unique 6-5-6-6 ring skeleton, were discovered from one "positive" Streptomyces sp. PKU-MA00045. The structures of fluostatins M-Q ( 1 - 5 ) were elucidated based on comprehensive spectroscopic analyses and the crystallographic structure of fluostatin P ( 4 ), which contains the most oxidized A-ring, was solved by X-ray diffraction analysis with Cu Kα radiation. Compared to the published 16 fluostatin analogues, fluostatins M-Q ( 1 - 5 ) contained a different methoxy group attached at C-7 and hydroxy group attached at C-4, enriching the structural diversity of aromatic polyketides from marine actinomycetes. Genome sequencing of Streptomyces sp. PKU-MA00045 revealed the biosynthetic gene cluster of fluostatins M-Q ( 1 - 5 ), which contained different genes and gene organizations compared to known fluostatin gene clusters, facilitating the investigation of the biosynthesis of the unique 6-5-6-6 ring skeleton in all fluostatins.

  8. 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)

  9. Functional soil metagenomics: elucidation of polycyclic aromatic hydrocarbon degradation potential following 12 years of in situ bioremediation.

    Science.gov (United States)

    Duarte, Márcia; Nielsen, Agnes; Camarinha-Silva, Amélia; Vilchez-Vargas, Ramiro; Bruls, Thomas; Wos-Oxley, Melissa L; Jauregui, Ruy; Pieper, Dietmar H

    2017-08-01

    A culture-independent function-based screening approach was used to assess the microbial aerobic catabolome for polycyclic aromatic hydrocarbons degradation of a soil subjected to 12 years of in situ bioremediation. A total of 422 750 fosmid clones were screened for key aromatic ring-cleavage activities using 2,3-dihydroxybiphenyl as substrate. Most of the genes encoding ring-cleavage enzymes on the 768 retrieved positive fosmids could not be identified using primer-based approaches and, thus, 205 fosmid inserts were sequenced. Nearly two hundred extradiol dioxygenase encoding genes of three different superfamilies could be identified. Additional key genes of aromatic metabolic pathways were identified, including a high abundance of Rieske non-heme iron oxygenases that provided detailed information on enzymes activating aromatic compounds and enzymes involved in activation of the side chain of methylsubstituted aromatics. The gained insights indicated a complex microbial network acting at the site under study, which comprises organisms similar to recently identified Immundisolibacter cernigliae TR3.2 and Rugosibacter aromaticivorans Ca6 and underlined the great potential of an approach that combines an activity-screening, a cost-effective high-throughput sequencing of fosmid clones and a phylogenomic-routed and manually curated database to carefully identify key proteins dedicated to aerobic degradation of aromatic compounds. © 2017 Society for Applied Microbiology and John Wiley & Sons Ltd.

  10. 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.

  11. Heuristic Solution Approaches to the Double TSP with Multiple Stacks

    DEFF Research Database (Denmark)

    Petersen, Hanne Løhmann

    This paper introduces the Double Travelling Salesman Problem with Multiple Stacks and presents a three different metaheuristic approaches to its solution. The Double Travelling Salesman Problem with Multiple Stacks is concerned with finding the shortest route performing pickups and deliveries...

  12. Heuristic Solution Approaches to the Double TSP with Multiple Stacks

    DEFF Research Database (Denmark)

    Petersen, Hanne Løhmann

    2006-01-01

    This paper introduces the Double Travelling Salesman Problem with Multiple Stacks and presents a three different metaheuristic approaches to its solution. The Double Travelling Salesman Problem with Multiple Stacks is concerned with finding the shortest route performing pickups and deliveries...

  13. Reactions of substituted aromatic molecules on the silicon(001) surface

    Science.gov (United States)

    Coutler, Sarah Kathryn

    Organic molecules possess unique physical and electronic properties that could be incorporated as components in new technologies, such as molecular electronics, biosensors and DNA chip arrays. While the properties of individual molecules often can be measured and predicted, the technological value of organic molecules for these types of applications requires the ability to understand and manipulate how physical and electronic properties are affected by bonding to a surface. Consequently, integration of organic systems with existing silicon-based technology necessitates a thorough investigation of the interfacial chemistry involved in adsorption processes. On a molecular scale, the delocalized electrons of a conjugated system could be used to carry charge from one point to another. Therefore, the interaction of pi-conjugated molecules with the technologically important Si(001) surface is of particular interest. X-ray Photoelectron Spectroscopy (XPS), Scanning Tunneling Microscopy (STM) and Fourier Transform Infrared (FTIR) Spectroscopy were used to investigate the bonding selectivity of several model aromatic molecules. Analysis of the infrared spectra of benzene, toluene and xylene suggest that these simple aromatic molecules covalently bond with the Si(001) surface, resulting in a loss of aromaticity. Studies of aromatic rings with other, more reactive substituent groups containing sulfur, oxygen, nitrogen, iodine or carbon atoms, indicate that the majority of these molecules preferentially adsorb to the surface through the substituent group. Careful consideration of the role played by both the electron-rich substituent groups and the silicon dimers in controlling selectivity leads to new insights regarding adsorption mechanisms. This knowledge, in turn, provides a method for selecting and designing molecules that will preferentially chemisorb on the Si(001) surface in a highly predictable manner. Preliminary studies correlating the chemical identity of the

  14. DEVS Models of Palletized Ground Stacking in Storeyed Grain Warehouse

    Directory of Open Access Journals (Sweden)

    Hou Shu-Yi

    2016-01-01

    Full Text Available Processed grain stored in storeyed warehouse is generally stacked on the ground without pallets. However, in order to improve the storing way, we developed a new stacking method, palletized ground stacking. Simulation should be used to present this new storing way. DEVS provides a formalized way to describe the system model. In this paper, DEVS models of palletized ground stacking in storeyed grain warehouse are given and a simulation model is developed by AutoMod.

  15. 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.

  16. Decay ring design

    CERN Document Server

    Chancé, A; Bouquerel, E; Hancock, S; Jensen, E

    The study of the neutrino oscillation between its different flavours needs pureand very intense fluxes of high energy, well collimated neutrinos with a welldetermined energy spectrum. A dedicated machine seems to be necessarynowadays to reach the required flux. A new concept based on the β-decayof radioactive ions which were accelerated in an accelerator chain was thenproposed. After ion production, stripping, bunching and acceleration, the unstableions are then stored in a racetrack-shaped superconducting decay ring.Finally, the ions are accumulated in the decay ring until being lost. The incomingbeam is merged to the stored beam by using a specific RF system, whichwill be presented here.We propose here to study some aspects of the decay ring, such as its opticalproperties, its RF system or the management of the losses which occur in thering (mainly by decay or by collimation).

  17. Studies on complex π-π and T-stacking features of imidazole and phenyl/p-halophenyl units in series of 5-amino-1-(phenyl/p-halophenyl)imidazole-4-carboxamides and their carbonitrile derivatives: Role of halogens in tuning of conformation

    Science.gov (United States)

    Das, Aniruddha

    2017-11-01

    5-amino-1-(phenyl/p-halophenyl)imidazole-4-carboxamides (N-phenyl AICA) (2a-e) and 5-amino-1-(phenyl/p-halophenyl)imidazole-4-carbonitriles (N-phenyl AICN) (3a-e) had been synthesized. X-ray crystallographic studies of 2a-e and 3a-e had been performed to identify any distinct change in stacking patterns in their crystal lattice. Single crystal X-ray diffraction studies of 2a-e revealed π-π stack formations with both imidazole and phenyl/p-halophenyl units in anti and syn parallel-displaced (PD)-type dispositions. No π-π stacking of imidazole occurred when the halogen substituent is bromo or iodo; π-π stacking in these cases occurred involving phenyl rings only. The presence of an additional T-stacking had been observed in crystal lattices of 3a-e. Vertical π-π stacking distances in anti-parallel PD-type arrangements as well as T-stacking distances had shown stacking distances short enough to impart stabilization whereas syn-parallel stacking arrangements had got much larger π-π stacking distances to belie any syn-parallel stacking stabilization. DFT studies had been pursued for quantifying the π-π stacking and T-stacking stabilization. The plotted curves for anti-parallel and T-stacked moieties had similarities to the 'Morse potential energy curve for diatomic molecule'. The minima of the curves corresponded to the most stable stacking distances and related energy values indicated stacking stabilization. Similar DFT studies on syn-parallel systems of 2b corresponded to no π-π stacking stabilization at all. Halogen-halogen interactions had also been observed to stabilize the compounds 2d, 2e and 3d. Nano-structural behaviour of the series of compounds 2a-e and 3a-e were thoroughly investigated.

  18. Polycyclic aromatic hydrocarbons profiles of spent drilling fluids deposited at Emu-Uno, Delta State, Nigeria.

    Science.gov (United States)

    Iwegbue, Chukwujindu M A

    2011-10-01

    The concentrations and profiles of polycyclic aromatic hydrocarbons were determined in spent drilling fluid deposited at Emu-Uno, Delta State of Nigeria. The total concentrations of polycyclic aromatic hydrocarbons in the spent drilling fluid deposits ranged between 40 and 770 μg kg(-1). The PAHs profile were predominantly 2- and 3-rings with acenaphthalene, phenanthrene, fluorene being the predominant PAHs. The prevalence of 2- and 3-rings PAHs in the spent drilling fluid deposits indicate contamination of the drilling fluids with crude oil during drilling. Incorporation of spent drilling fluids into the soil has serious implication for soil, surface water and groundwater quality. © Springer Science+Business Media, LLC 2011

  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. Sport stacking motor intervention programme for children with ...

    African Journals Online (AJOL)

    The purpose of this study was to explore sport stacking as an alternative intervention approach with typically developing children and in addition to improve DCD. Sport stacking consists of participants stacking and unstacking 12 specially designed plastic cups in predetermined sequences in as little time as possible.

  1. Notes on G-theory of Deligne-Mumford stacks

    OpenAIRE

    Toen, B.

    1999-01-01

    Based on the methods used by the author to prove the Riemann-Roch formula for algebraic stacks, this paper contains a description of the rationnal G-theory of Deligne-Mumford stacks over general bases. We will use these results to study equivariant K-theory, and also to define new filtrations on K-theory of algebraic stacks.

  2. Short carbon fiber reinforced electrically conductive aromatic polydisulfide/expanded graphite nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Song, L.N. [Guangzhou Institute of Chemistry, Chinese Academy of Sciences, P.O. Box 1122, Guangzhou 510650 (China); Xiao, M. [Institute of Energy and Environmental Materials, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Li, X.H. [Institute of Energy and Environmental Materials, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Meng, Y.Z. [Institute of Energy and Environmental Materials, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China) and Guangzhou Institute of Chemistry, Chinese Academy of Sciences, P.O. Box 1122, Guangzhou 510650 (China)]. E-mail: stdpmeng@zsu.edu.cn

    2005-09-15

    Expanded graphite (EG) was prepared by the exfoliation of expandable graphite under microwave irradiation. Aromatic polydisulfide/EG nanocomposites were then fabricated by absorbing cyclic (arylene disulfide) oligomers into the pores of EG. Subsequently, the nanocomposite precursor was hot-molded at 200 deg C to carry out simultaneously the in situ ring-opening polymerization of these oligomers via free radical mechanism. The resulting aromatic polydisulfide/EG nanocomposite exhibited a intercalated nanostructure as evidenced by transmission electron microscopy (TEM) observation. Short carbon fiber (SCF) was used to further reinforce aromatic polydisulfide/EG nanocomposites. Consequently, the ternary polydisulfide/EG/SCF nanocomposites showed superior mechanical properties and good electrical conductivity. The ternary nanocomposites can be used as electrically conductive materials to prepare the bipolar plates of polymer electrolyte membrane fuel cell.

  3. Learning algorithms for stack filter classifiers

    Energy Technology Data Exchange (ETDEWEB)

    Porter, Reid B [Los Alamos National Laboratory; Hush, Don [Los Alamos National Laboratory; Zimmer, Beate G [TEXAS A& M

    2009-01-01

    Stack Filters define a large class of increasing filter that is used widely in image and signal processing. The motivations for using an increasing filter instead of an unconstrained filter have been described as: (1) fast and efficient implementation, (2) the relationship to mathematical morphology and (3) more precise estimation with finite sample data. This last motivation is related to methods developed in machine learning and the relationship was explored in an earlier paper. In this paper we investigate this relationship by applying Stack Filters directly to classification problems. This provides a new perspective on how monotonicity constraints can help control estimation and approximation errors, and also suggests several new learning algorithms for Boolean function classifiers when they are applied to real-valued inputs.

  4. 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.

  5. Annular feed air breathing fuel cell stack

    Science.gov (United States)

    Wilson, Mahlon S.

    1996-01-01

    A stack of polymer electrolyte fuel cells is formed from a plurality of unit cells where each unit cell includes fuel cell components defining a periphery and distributed along a common axis, where the fuel cell components include a polymer electrolyte membrane, an anode and a cathode contacting opposite sides of the membrane, and fuel and oxygen flow fields contacting the anode and the cathode, respectively, wherein the components define an annular region therethrough along the axis. A fuel distribution manifold within the annular region is connected to deliver fuel to the fuel flow field in each of the unit cells. In a particular embodiment, a single bolt through the annular region clamps the unit cells together. In another embodiment, separator plates between individual unit cells have an extended radial dimension to function as cooling fins for maintaining the operating temperature of the fuel cell stack.

  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. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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

  12. Contemporary sample stacking in analytical electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Malá, Zdeňka; Gebauer, Petr; Boček, Petr

    2011-01-01

    Roč. 32, č. 1 (2011), s. 116-126 ISSN 0173-0835 R&D Projects: GA ČR GA203/08/1536; GA ČR GAP206/10/1219; GA AV ČR IAA400310703 Institutional research plan: CEZ:AV0Z40310501 Keywords : biological samples * stacking * trace analysis * zone electrophoresis Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.303, year: 2011

  13. Stacked Switched Capacitor Energy Buffer Architecture

    OpenAIRE

    Chen, Minjie; Perreault, David J.; Afridi, Khurram

    2012-01-01

    Electrolytic capacitors are often used for energy buffering applications, including buffering between single-phase ac and dc. While these capacitors have high energy density compared to film and ceramic capacitors, their life is limited. This paper presents a stacked switched capacitor (SSC) energy buffer architecture and some of its topological embodiments, which when used with longer life film capacitors overcome this limitation while achieving effective energy densities comparable to elect...

  14. When is stacking confusing? The impact of confusion on stacking in deep H I galaxy surveys

    Science.gov (United States)

    Jones, Michael G.; Haynes, Martha P.; Giovanelli, Riccardo; Papastergis, Emmanouil

    2016-01-01

    We present an analytic model to predict the H I mass contributed by confused sources to a stacked spectrum in a generic H I survey. Based on the ALFALFA (Arecibo Legacy Fast ALFA) correlation function, this model is in agreement with the estimates of confusion present in stacked Parkes telescope data, and was used to predict how confusion will limit stacking in the deepest Square Kilometre Array precursor H I surveys. Stacking with LADUMA (Looking At the Distant Universe with MeerKAT) and DINGO UDEEP (Deep Investigation of Neutral Gas Origins - Ultra Deep) data will only be mildly impacted by confusion if their target synthesized beam size of 10 arcsec can be achieved. Any beam size significantly above this will result in stacks that contain a mass in confused sources that is comparable to (or greater than) that which is detectable via stacking, at all redshifts. CHILES (COSMOS H I Large Extragalactic Survey) 5 arcsec resolution is more than adequate to prevent confusion influencing stacking of its data, throughout its bandpass range. FAST (Five hundred metre Aperture Spherical Telescope) will be the most impeded by confusion, with H I surveys likely becoming heavily confused much beyond z = 0.1. The largest uncertainties in our model are the redshift evolution of the H I density of the Universe and the H I correlation function. However, we argue that the two idealized cases we adopt should bracket the true evolution, and the qualitative conclusions are unchanged regardless of the model choice. The profile shape of the signal due to confusion (in the absence of any detection) was also modelled, revealing that it can take the form of a double Gaussian with a narrow and wide component.

  15. 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.

  16. Antibacterial activity of Mannich bases derived from 2-naphthols, aromatic aldehydes and secondary aliphatic amines.

    Science.gov (United States)

    Roman, Gheorghe; Năstasă, Valentin; Bostănaru, Andra-Cristina; Mareş, Mihai

    2016-05-15

    A small library of 1-aminoalkyl 2-naphthols has been synthesized through the direct Mannich reaction of 2-naphthols with (hetero)aromatic aldehydes and secondary amines. All of the Mannich bases having a thiophen-2-yl ring in their structure had good activity against Gram-positive bacteria, irrespective of the nature of the amino moiety. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. 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

  18. 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

  19. 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

  20. Fusion rings and fusion ideals

    DEFF Research Database (Denmark)

    Andersen, Troels Bak

    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...... 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...

  1. 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...... functions. Moreover we give a presentation of all fusion rings in classical types as quotients of polynomial rings. Finally we also compute the fu- sion rings for type G2....

  2. 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.)

  3. 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.

  4. 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

  5. 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

  6. 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.

  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. Ring Bubbles of Dolphins

    Science.gov (United States)

    Shariff, Karim; Marten, Ken; Psarakos, Suchi; White, Don J.; Merriam, Marshal (Technical Monitor)

    1996-01-01

    The article discusses how dolphins create and play with three types of air-filled vortices. The underlying physics is discussed. Photographs and sketches illustrating the dolphin's actions and physics are presented. The dolphins engage in this behavior on their own initiative without food reward. These behaviors are done repeatedly and with singleminded effort. The first type is the ejection of bubbles which, after some practice on the part of the dolphin, turn into toroidal vortex ring bubbles by the mechanism of baroclinic torque. These bubbles grow in radius and become thinner as they rise vertically to the surface. One dolphin would blow two in succession and guide them to fuse into one. Physicists call this a vortex reconnection. In the second type, the dolphins first create an invisible vortex ring in the water by swimming on their side and waving their tail fin (also called flukes) vigorously. This vortex ring travels horizontally in the water. The dolphin then turns around, finds the vortex and injects a stream of air into it from its blowhole. The air "fills-out" the core of the vortex ring. Often, the dolphin would knock-off a smaller ring bubble from the larger ring (this also involves vortex reconnection) and steer the smaller ring around the tank. One other dolphin employed a few other techniques for planting air into the fluke vortex. One technique included standing vertically in the water with tail-up, head-down and tail piercing the free surface. As the fluke is waved to create the vortex ring, air is entrained from above the surface. Another technique was gulping air in the mouth, diving down, releasing air bubbles from the mouth and curling them into a ring when they rose to the level of the fluke. In the third type, demonstrated by only one dolphin, the longitudinal vortex created by the dorsal fin on the back is used to produce 10-15 foot long helical bubbles. In one technique she swims in a curved path. This creates a dorsal fin vortex since

  9. 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.

  10. Dehalogenation of halogenated aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Griller, D.; Hawari, J.A.; McPhee, D.J.

    1992-03-03

    A process is disclosed for dehalogenating aromatic halogenated compounds, comprising reacting an alkali metal with the halogenated aromatic material in the presence of a liquid hydrosiloxane until substantially all of the halogen has reacted, leaving the aromatic moiety in non-halogenated form. Preferably a non-halogenated non-aqueous polar solvent or diluent is present during the reaction. The excess alkali metal can be reacted with added termination agent, and excess hydrosiloxane can be precipitated and the solids separated. According to a further aspect of the invention, a kit is provided for carrying out the above dehalogenation process. The kit comprises a container containing alkali metal, a container containing liquid hydrosiloxane, or one container containing both the alkali metal and the hydrosiloxane. The starting material to be dehalogenated, in most applications of the process, will be polychlorinated biphenyls alone or as mixtures with various oils such as transformer oils. The alkali metal may be Li, Na, or K, and the hydrosiloxane should be a liquid miscible with the starting material, preferably a polyorganohydrosiloxane of relatively low molecular weight. Experiments are described to illustrate the process of the invention. It is shown that the process of the invention provides significantly improved dehalogenations at ambient temperatures and may be used for destruction of polychlorinated biphenyls to the point where they can no longer be detected by gas chromatography.

  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. 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

  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. Transverse instability of the antiproton beam in the Recycler Ring

    Energy Technology Data Exchange (ETDEWEB)

    Prost, L.R.; Bhat, C.M.; Burov, A.; Crisp, J.; Eddy, N.; Hu, M.; Shemyakin, A.; /Fermilab

    2011-03-01

    The brightness of the antiproton beam in Fermilab's 8 GeV Recycler ring is limited by a transverse instability. This instability has occurred during the extraction process to the Tevatron for large stacks of antiprotons even with dampers in operation. This paper describes observed features of the instability, introduces the threshold phase density to characterize the beam stability, and finds the results to be in agreement with a resistive wall instability model. Effective exclusion of the longitudinal tails from Landau damping by decreasing the depth of the RF potential well is observed to lower the threshold density by up to a factor of two.

  15. 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

  16. 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.

  17. An amino acid at position 142 in nitrilase from Rhodococcus rhodochrous ATCC 33278 determines the substrate specificity for aliphatic and aromatic nitriles.

    Science.gov (United States)

    Yeom, Soo-Jin; Kim, Hye-Jung; Lee, Jung-Kul; Kim, Dong-Eun; Oh, Deok-Kun

    2008-11-01

    Nitrilase from Rhodococcus rhodochrous ATCC 33278 hydrolyses both aliphatic and aromatic nitriles. Replacing Tyr-142 in the wild-type enzyme with the aromatic amino acid phenylalanine did not alter specificity for either substrate. However, the mutants containing non-polar aliphatic amino acids (alanine, valine and leucine) at position 142 were specific only for aromatic substrates such as benzonitrile, m-tolunitrile and 2-cyanopyridine, and not for aliphatic substrates. These results suggest that the hydrolysis of substrates probably involves the conjugated pi-electron system of the aromatic ring of substrate or Tyr-142 as an electron acceptor. Moreover, the mutants containing charged amino acids such as aspartate, glutamate, arginine and asparagine at position 142 displayed no activity towards any nitrile, possibly owing to the disruption of hydrophobic interactions with substrates. Thus aromaticity of substrate or amino acid at position 142 in R. rhodochrous nitrilase is required for enzyme activity.

  18. e-læring

    DEFF Research Database (Denmark)

    Helms, Niels Henrik

    e-læring kan defineres på ganske mange måder. Ordet e-læring består jo tydeligt nok af to elementer. E + læring ligesom e-handel eller e-banking, og umiddelbart vil de fleste nok sige, at det så handler om læring vha. internettet. I bidraget advokeres for en læringsmæssig frem for normativ tilgang....

  19. 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...

  20. Ring Opening of Naphthenic Molecules Over Metal Containing Mesoporous Y Zeolite Catalyst.

    Science.gov (United States)

    Lee, You-Jin; Kim, Eun Sang; Kim, Tae-Wan; Kim, Chul-Ung; Jeong, Kwang-Eun; Lee, Chang-Ha; Jeong, Soon-Yong

    2015-07-01

    Mesoporous Y zeolite (Meso-Y) with a uniform mesopore was synthesized via pseudomorphic syn- thesis. The Meso-Y supported Ni-W catalyst (NiW/Meso-Y) was introduced as a catalyst for the selective ring opening of naphthenic rings. The catalytic test for the ring opening of naphthalene as a model compound of multi-ring aromatics was performed using a batch-type reaction system with both sulfided 20 wt% NiW/Meso-Y and NiW/Y catalysts under different reaction conditions. The catalytic results reveal that the Meso-Y supported NiW catalyst experiences a naphthalene conversion similar to the NiW/Y catalyst, but the NiW/Meso-Y catalyst has higher product yields for BTEX (benzene, toluene, ethyl benzene, and xylene) and the middle distillate than those of the NiW/Y catalyst at a low reaction temperature. These results suggest that the mesoporosity of the NiW/Meso-Y catalyst is more advantageous for the ring opening reaction of multi-ring aromatics due to the easier access for the bulky molecules compared to the NiW/Y catalyst.

  1. 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.

  2. Minimizing the risk of reporting false aromaticity and antiaromaticity in inorganic heterocycles following magnetic criteria.

    Science.gov (United States)

    Torres-Vega, Juan J; Vásquez-Espinal, Alejandro; Caballero, Julio; Valenzuela, María L; Alvarez-Thon, Luis; Osorio, Edison; Tiznado, William

    2014-04-07

    Although aromaticity is a concept in chemistry, in the last years, special efforts have been carried out in order to propose theoretical strategies to quantify it as a property of molecular rings. Among them, perhaps the computation of nucleus independent chemical shifts (NICSs) is the most commonly used, since it is possible to calculate it in an easy and fast way with most used quantum chemistry software. However, contradicting assignments of aromaticity by NICS and other methods have been reported in the literature, especially in studies concerning inorganic chemistry. In this Article is proposed a new and simple strategy to use the NICS information to assess aromaticity, identifying the point along the axis perpendicular to the molecular plane where the in-plane component of NICS becomes zero; it is called free of in-plane component NICS (FiPC-NICS). This spatial point is proposed as secure to consider NICS as an aromaticity descriptor; this simple proposal is evaluated in borazine and cyclotriphosphazenes. The results are compared with carefully examined aromatic stabilization energies and magnetically induced current-density analysis.

  3. Clean elements in abelian rings

    Indian Academy of Sciences (India)

    equivalent to being clean for an abelian ring is 'topologically boolean'. In line with [1] we say that a ring R (not necessarily commutative) is right (resp. left) topologically boolean, or a right (resp. left) tb-ring for short, if for every pair of distinct maximal right (resp. left) ideals of R there is an idempotent in exactly one of them.

  4. 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.

  5. 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.

  6. 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)

  7. 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.

  8. Effects of combustible stacking in large compartments

    DEFF Research Database (Denmark)

    Gentili, Filippo; Giuliani, Luisa; Bontempi, Franco

    2013-01-01

    This paper focuses on the modelling of fire in case of various distributions of combustible materials in a large compartment. Large compartments often represent a challenge for structural fire safety, because of lack of prescriptive rules to follow and difficulties of taking into account the effect...... to different stacking configurations of the pallets with the avail of a CFD code. The results in term of temperatures of the hot gasses and of the steel elements composing the structural system are compared with simplified analytical model of localized and post-flashover fires, with the aim of highlighting...

  9. 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

  10. 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.

  11. Sampled-time control of a microbial fuel cell stack

    Science.gov (United States)

    Boghani, Hitesh C.; Dinsdale, Richard M.; Guwy, Alan J.; Premier, Giuliano C.

    2017-07-01

    Research into microbial fuel cells (MFCs) has reached the point where cubic metre-scale systems and stacks are being built and tested. Apart from performance enhancement through catalysis, materials and design, an important research area for industrial applicability is stack control, which can enhance MFCs stack power output. An MFC stack is controlled using a sampled-time digital control strategy, which has the advantage of intermittent operation with consequent power saving, and when used in a hybrid series stack connectivity, can avoid voltage reversals. A MFC stack comprising four tubular MFCs was operated hydraulically in series. Each MFC was connected to an independent controller and the stack was connected electrically in series, creating a hybrid-series connectivity. The voltage of each MFC in the stack was controlled such that the overall series stack voltage generated was the algebraic sum (1.26 V) of the individual MFC voltages (0.32, 0.32, 0.32 and 0.3). The controllers were able to control the individual voltages to the point where 2.52 mA was drawn from the stack at a load of 499.9 Ω (delivering 3.18 mW). The controllers were able to reject the disturbances and perturbations caused by electrical loading, temperature and substrate concentration.

  12. AROMATIC AND POLYCYCLIC AROMATIC HYDROCARBON FORMATION IN A LAMINAR PREMIXED N-BUTANE FLAME. (R825412)

    Science.gov (United States)

    AbstractExperimental and detailed chemical kinetic modeling work has been performed to investigate aromatic and polycyclic aromatic hydrocarbon (PAH) formation pathways in a premixed, rich, sooting, n-butane¯oxygen¯argon burner s...

  13. 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.

  14. Transport of Polycyclic Aromatic Hydrocarbons in Unsaturated Porous Media

    Science.gov (United States)

    Chahal, Maninder; Flury, Markus

    2016-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are complex organic molecules containing 2 or more fused benzene rings. Being hydrophobic and non-polar, PAHs tend to partition to the organic matter in the soil from bulk aqueous phase. Though transport of these contaminants has been well studied in saturated environment, interactive mechanisms of these fluorescent compounds in unsaturated (identified by presence of air-water interface) porous media is still not well understood. We studied is the transport of fluoranthene in unsaturated porous media as facilitated by moving air-water interfaces. Confocal microscopy was used to visualize the interactions of fluoranthene particles in a glass channel packed with quartz glass beads. The packed glass channel was used to mimic a porous media and effects of an advancing and receding capillary fringe on the detachment of fluoranthene.

  15. 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.

  16. Reaction mechanisms in aromatic hydrocarbon formation involving the C{sub 5}H{sub 5} cyclopentadienyl moiety

    Energy Technology Data Exchange (ETDEWEB)

    Melius, C.F.; Colvin, M.E. [Sandia National Labs., Livermore, CA (United States); Marinov, N.M.; Pitz, W.J. [Lawrence Livermore National Lab., CA (United States); Senkan, S.M. [Univ. of California, Los Angeles, CA (United States). Dept. of Chemical Engineering

    1996-02-01

    The quantum chemical BAC-MP4 and BAC-MP2 methods have been used to investigate the reaction mechanisms leading to polycyclic aromatic hydrocarbon (PAH) ring formation. In particular the authors have determined the elementary reaction steps in the conversion of two cyclopentadienyl radicals to naphthalene. This reaction mechanism is shown to be an extension of the mechanism occurring in the H atom-assisted conversion of fulvene to benzene. The net reaction involves the formation of dihydrofulvalene, which eliminates a hydrogen atom and then rearranges to form naphthalene through a series of ring closures and openings. The importance of forming the {single_bond}CR({center_dot}){single_bond}CHR{single_bond}CR{prime}{double_bond}CR{double_prime}-moiety, which can undergo rearrangement to form three-carbon-atom ring structures, is illustrated with the C{sub 4}H{sub 7} system. The ability of hydrogen atoms to migrate around the cyclopentadienyl moiety is illustrated both for methyl-cyclopentadiene, C{sub 5}H{sub 5}CH{sub 3}, and dihydrofulvalene, C{sub 5}H{sub 5}C{sub 5}H{sub 5}, as well as for their radical species, C{sub 6}H{sub 7} and C{sub 5}H{sub 5}C{sub 5}H{sub 4}. The mobility of hydrogen in the cyclopentadienyl moiety plays an important role both in providing resonance-stabilized radical products and in creating the {single_bond}CR({center_dot}){single_bond}CHR{single_bond}CR{prime}{double_bond}CR{double_prime}-moiety for ring formation. The results illustrate the radical pathway for converting five-membered rings to aromatic six-membered rings. Furthermore, the results indicate the important catalytic role of H atoms in the aromatic ring formation process.

  17. AC impedance diagnosis of a 500 W PEM fuel cell stack . Part I: Stack impedance

    Science.gov (United States)

    Yuan, Xiaozi; Sun, Jian Colin; Blanco, Mauricio; Wang, Haijiang; Zhang, Jiujun; Wilkinson, David P.

    Diagnosis of stack performance is of importance to proton exchange membrane (PEM) fuel cell research. This paper presents the diagnostic testing results of a 500 W Ballard Mark V PEM fuel cell stack with an active area of 280 cm 2 by electrochemical impedance spectroscopy (EIS). The EIS was measured using a combination of a FuelCon test station, a TDI loadbank, and a Solartron 1260 Impedance/Gain-Phase Analyzer operating in the galvanostatic mode. The method described in this work can obtain the impedance spectra of fuel cells with a larger geometric surface area and power, which are normally difficult to measure due to the limitations on commercial load banks operating at high currents. By using this method, the effects of temperature, flow rate, and humidity on the stack impedance spectra were examined. The results of the electrochemical impedance analysis show that with increasing temperature, the charge transfer resistance decreases due to the slow oxygen reduction reaction (ORR) process at low temperature. If the stack is operated at a fixed air flow rate, a low frequency arc appears and grows with increasing current due to the shortage of air. The anode humidification cut-off does not affect the spectra compared to the cut-off for cathode humidification.

  18. Quantum transport through aromatic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Ojeda, J. H., E-mail: judith.ojeda@uptc.edu.co [Instituto de Alta investigación, Universidad de Tarapaca, Casilla 7D Arica (Chile); Grupo de Física de Materiales, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Rey-González, R. R. [Departamento de Física, Universidad Nacional de Colombia, Bogotá D. C. (Colombia); Laroze, D. [Instituto de Alta investigación, Universidad de Tarapaca, Casilla 7D Arica (Chile)

    2013-12-07

    In this paper, we study the electronic transport properties through aromatic molecules connected to two semi-infinite leads. The molecules are in different geometrical configurations including arrays. Using a nearest neighbor tight-binding approach, the transport properties are analyzed into a Green's function technique within a real-space renormalization scheme. We calculate the transmission probability and the Current-Voltage characteristics as a function of a molecule-leads coupling parameter. Our results show different transport regimes for these systems, exhibiting metal-semiconductor-insulator transitions and the possibility to employ them in molecular devices.

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

    International Nuclear Information System (INIS)

    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

  20. Stray field interaction of stacked amorphous tapes

    International Nuclear Information System (INIS)

    Guenther, Wulf; Flohrer, Sybille

    2008-01-01

    In this study, magnetic cores made of amorphous rectangular tape layers are investigated. The quality factor Q of the tape material decreases rapidly, however, when stacking at least two tape layers. The hysteresis loop becomes non-linear, and the coercivity increases. These effects are principally independent of the frequency and occur whether tape layers are insulated or not. The Kerr-microscopy was used to monitor local hysteresis loops by varying the distance of two tape layers. The magnetization direction of each magnetic domain is influenced by the anisotropy axis, the external magnetic field and the stray field of magnetic domains of the neighboring tape layers. We found that crossed easy axes (as the extreme case for inclined axes) of congruent domains retain the remagnetization and induce a plateau of the local loop. Summarizing local loops leads to the observed increase of coercivity and non-linearity of the inductively measured loop. A high Q-factor can be preserved if the easy axes of stacked tape layers are identical within the interaction range in the order of mm

  1. Annular feed air breathing fuel cell stack

    Science.gov (United States)

    Wilson, Mahlon S.; Neutzler, Jay K.

    1997-01-01

    A stack of polymer electrolyte fuel cells is formed from a plurality of unit cells where each unit cell includes fuel cell components defining a periphery and distributed along a common axis, where the fuel cell components include a polymer electrolyte membrane, an anode and a cathode contacting opposite sides of the membrane, and fuel and oxygen flow fields contacting the anode and the cathode, respectively, wherein the components define an annular region therethrough along the axis. A fuel distribution manifold within the annular region is connected to deliver fuel to the fuel flow field in each of the unit cells. The fuel distribution manifold is formed from a hydrophilic-like material to redistribute water produced by fuel and oxygen reacting at the cathode. In a particular embodiment, a single bolt through the annular region clamps the unit cells together. In another embodiment, separator plates between individual unit cells have an extended radial dimension to function as cooling fins for maintaining the operating temperature of the fuel cell stack.

  2. Stacking Analysis of Binary Systems with HAWC

    Science.gov (United States)

    Brisbois, Chad; HAWC Collaboration

    2017-01-01

    Detecting binary systems at TeV energies is an important problem because only a handful of such systems are currently known. The nature of such systems is typically thought to be composed of a compact object and a massive star. The TeV emission from these systems does not obviously correspond to emission in GeV or X-ray, where many binary systems have previously been found. This study focuses on a stacking method to detect TeV emission from LS 5039, a known TeV binary, to test its efficacy in HAWC data. Stacking is a widely employed method for increasing signal to noise ratio in optical astronomy, but has never been attempted previously with HAWC. HAWC is an ideal instrument to search for TeV binaries, because of its wide field of view and high uptime. Applying this method to the entire sky may allow HAWC to detect binary sources of very short or very long periods not sensitive to current analyses. NSF, DOE, Los Alamos, Michigan Tech, CONACyt, UNAM, BUAP.

  3. High performance zinc air fuel cell stack

    Science.gov (United States)

    Pei, Pucheng; Ma, Ze; Wang, Keliang; Wang, Xizhong; Song, Mancun; Xu, Huachi

    2014-03-01

    A zinc air fuel cell (ZAFC) stack with inexpensive manganese dioxide (MnO2) as the catalyst is designed, in which the circulation flowing potassium hydroxide (KOH) electrolyte carries the reaction product away and acts as a coolant. Experiments are carried out to investigate the characteristics of polarization, constant current discharge and dynamic response, as well as the factors affecting the performance and uniformity of individual cells in the stack. The results reveal that the peak power density can be as high as 435 mW cm-2 according to the area of the air cathode sheet, and the influence factors on cell performance and uniformity are cell locations, filled state of zinc pellets, contact resistance, flow rates of electrolyte and air. It is also shown that the time needed for voltages to reach steady state and that for current step-up or current step-down are both in milliseconds, indicating the ZAFC can be excellently applied to vehicles with rapid dynamic response demands.

  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. 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

  6. Coordination of bis(tricarbonylchromium) complexes to small polycyclic aromatic hydrocarbons: Structure, relative stabilities, and bonding

    Science.gov (United States)

    Jiménez-Halla, J. Oscar C.; Robles, Juvencio; Solà, Miquel

    2008-11-01

    Bis(tricarbonylchromium) complexes of two- to four-fused benzenoid rings were investigated by means of the B3LYP method. Our analysis was focused on both the molecular structure of the different isomers and their relative energies. For all the studied cases, the isomer with the lowest energy resulted to be the anti where both Cr(CO) 3 units are bonded to the most external rings. According to the calculated dissociation energies for the lowest energy isomers, stabilization due to metal bicomplexation is similar in angular and linear polycyclic aromatic hydrocarbons (PAH), while the less energetically favorable complexation occurs in PAH with a compact arrangement of six-membered rings like in pyrene.

  7. Bioremediation of phenols and polycyclic aromatic hydrocarbons in creosote contaminated soil using ex-situ landtreatment.

    Science.gov (United States)

    Guerin, T F

    1999-03-19

    Soil from a former creosoting plant containing phenols and polycyclic aromatic hydrocarbons, was remediated using an ex-situ landtreatment process. Total 16 USEPA priority PAH and total phenol were reduced from 290 mg/kg and 40 mg/kg to bioremediation process involved soil mixing, aeration, and slow release fertilizer addition. The indigenous populations of PAH and phenol utilizing populations of microorganisms were shown to increase during the treatment process, indicating that biostimulation was effective. The most extensive degradation was apparent with the 2- and 3-ring PAH, with decreases of 97% and 82%, respectively. The higher molecular weight 3- and 4-ring PAH were degraded at slower rates, with reductions of 45% and 51%, respectively. Six-ring PAH were degraded the least with average reductions of < 35%. The residual concentrations of PAH and total phenol obtained in the study allowed the treated soil to be disposed of as low level contaminated landfill.

  8. 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.)

  9. 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.

  10. 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)

  11. 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.

  12. Quadratic forms and Clifford algebras on derived stacks

    OpenAIRE

    Vezzosi, Gabriele

    2013-01-01

    In this paper we present an approach to quadratic structures in derived algebraic geometry. We define derived n-shifted quadratic complexes, over derived affine stacks and over general derived stacks, and give several examples of those. We define the associated notion of derived Clifford algebra, in all these contexts, and compare it with its classical version, when they both apply. Finally, we prove three main existence results for derived shifted quadratic forms over derived stacks, define ...

  13. Use of impedance tagging to monitor fuel cell stack performance

    Science.gov (United States)

    Silva, Gregory

    Fuel cells are electrochemical device that are traditionally assembled in stacks to perform meaningful work. Monitoring the state of the stack is vitally important to ensure that it is operating efficiently and that constituent cells are not failing for one of a several common reasons including membrane dehydration, gas diffusion layer flooding, reactant starvation, and physical damage. Current state-of-the-art monitoring systems are costly and require at least one connection per cell on the stack, which introduces reliability concerns for stacks consisting of hundreds of cells. This thesis presents a novel approach for diagnosing problems in a fuel cell stack that attempts to reduce the cost and complexity of monitoring cells in a stack. The proposed solution modifies the electrochemical impedance spectroscopy (EIS) response of each cell in the stack by connecting an electrical tag in parallel with each cell. This approach allows the EIS response of the entire stack to identify and locate problems in the stack. Capacitors were chosen as tags because they do not interfere with normal stack operation and because they can generate distinct stack EIS responses. An experiment was performed in the Center for Automation Technologies an Systems (CATS) fuel cell laboratory at Rensselaer Polytechnic Institute (RPI) to perform EIS measurements on a single cell with and without capacitor tags to investigate the proposed solution. The EIS data collected from this experiment was used to create a fuel cell model to investigate the proposed solution under ideal conditions. This thesis found that, although the concept shows some promise in simulations, significant obstacles to implementing the proposed solution. Observed EIS response when the capacitor tags were connected did not match the expected EIS response. Constraints on the capacitor tags found by the model impose significant manufacturing challenges to the proposed solution. Further development of the proposed solution is

  14. 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.

  15. A novel configuration for direct internal reforming stacks

    Science.gov (United States)

    Fellows, Richard

    This paper presents a stack concept that can be applied to both molten carbonate fuel cell (MCFC) and solid oxide fuel cell (SOFC) internal reforming stacks. It employs anode recycle and allows the design of very simple system configurations, while giving enhanced efficiencies and high specific power densities. The recycle of anode exit gas to the anode inlet has previously been proposed as a means of preventing carbon deposition in direct internal reforming (DIR) stacks. When applied to a normal stack this reduces the Nernst voltages because the recycle stream is relatively depleted in hydrogen. In the concept proposed here, known as the `Smarter' stack, there are two anode exit streams, one of which is depleted, while the other is relatively undepleted. The depleted stream passes directly to the burner, and the undepleted stream is recycled to the stack inlet. By this means high Nernst voltages are achieved in the stack. The concept has been simulated and assessed for parallel-flow and cross-flow MCFC and SOFC stacks and graphs are presented showing temperature distributions. The `Smarter' stacks employ a high recycle rate resulting in a reduced natural gas concentration at the stack inlet, and this reduces or eliminates the unfavourable temperature dip. Catalyst grading can further improve the temperature distribution. The concept allows simple system configurations in which the need for fuel pre-heat is eliminated. Efficiencies are up to 10 percentage points higher than for conventional stacks with the same cell area and maximum stack temperature. The concept presented here was devised in a project part-funded by the EU, and has been adopted by the European Advanced DIR-MCFC development programme led by BCN.

  16. Status of Slip Stacking at Fermilab Main Injector

    CERN Document Server

    Seiya, Kiyomi; Chase, Brian; Dey, Joseph; Kourbanis, Ioanis; MacLachlan, James A; Meisner, Keith G; Pasquinelli, Ralph J; Reid, John; Rivetta, Claudio H; Steimel, Jim

    2005-01-01

    In order to increase proton intensity on anti proton production cycle of the Main Injector we are going to use the technique of 'slip stacking' and doing machine studies. In slip stacking, one bunch train is injected at slightly lower energy and second train is at slightly higher energy. Afterwards they are aligned longitudinally and captured with one rf bucket. This longitudinal stacking process is expected to double the bunch intensity. The required intensity for anti proton production is 8·1012

  17. A novel design for solid oxide fuel cell stacks

    Energy Technology Data Exchange (ETDEWEB)

    Al-Qattan, A.M.; Chmielewski, D.J.; Al-Hallaj, S.; Selman, J.R. [Illinois Inst. of Technology, Chicago, IL (United States). Dept. of Chemical and Environmental Engineering

    2004-01-01

    Conventional fuel cell stack designs suffer from severe spatial nonuniformity in both temperature and current density. Such variations are known to create damaging thermal stresses within the stack and thus, impact overall lifespan. In this work, we propose a novel stack design aimed at reducing spatial variations at the source. We propose a mechanism of distributed fuel feed in which the heat generation profile can be influenced directly. Simulation results are presented to illustrate the potential of the proposed scheme. (author)

  18. 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.

  19. 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.)

  20. 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

  1. Design and development of an automated uranium pellet stacking system

    International Nuclear Information System (INIS)

    Reiss, B.S.; Nokleby, S.B.

    2010-01-01

    A novel design for an automated uranium pellet stacking system is presented. This system is designed as a drop-in solution to the current production line to enhance the fuel pellet stacking process. The three main goals of this system are to reduce worker exposure to radiation to as low as reasonable achievable (ALARA), improve product quality, and increase productivity. The proposed system will reduce the potential for human error. This single automated system will replace the two existing pellet stacking stations while increasing the total output, eliminating pellet stacking as a bottleneck in the fuel bundle assembly process. (author)

  2. 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...

  3. 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.

  4. 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

  5. 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 realis......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....

  6. 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.

  7. 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.

  8. Saturn ring temperature variations with approaching ring equinox

    Science.gov (United States)

    Spilker, L.; Leyrat, C.; Flandes, A.; Altobelli, N.; Pilorz, S.; Ferrari, C.; Edgington, S.

    2009-04-01

    Cassini's Composite Infrared Spectrometer (CIRS) has acquired a wide-ranging set of thermal measurements of Saturn's main rings (A, B, C and Cassini Division) at solar elevations ranging from less than one degree to 24 degrees. At Saturn equinox in August the solar elevation angle will reach zero as the sun traverses from the south to north side of the rings. For the data acquired to date, temperatures were retrieved for the lit and unlit rings over a variety of ring geometries that include solar elevation, as well as spacecraft elevation, phase angle and local hour angle. To first order, the largest temperature changes on the lit face of the rings are driven by variations in phase angle while differences in temperature with changing spacecraft elevation and local time are a secondary effect. Decreasing ring temperature with decreasing solar elevation are observed for both the lit and unlit faces of the rings after phase angle and local time effects are taken into account. As the solar elevation continues to decrease, the ring temperatures are decreasing in a non-linear fashion. The difference in temperature between the lit and unlit sides of the rings is decreasing also with decreasing solar elevation. Using ring thermal models developed by Leyrat we extrapolate to the expected minimum ring temperatures at equinox for our planned CIRS ring observations. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA and at CEA Saclay supported by the "Programme National de Planetologie". Copyright 2009 California Institute of Technology. Government sponsorship acknowledged.

  9. Composition and source diagnostics of polycyclic aromatic ...

    African Journals Online (AJOL)

    Composition and source diagnostics of polycyclic aromatic hydrocarbons in sediments from Elelenwo Creek, southern Nigeria. I Agbozu, K Opuene, O Benson. Abstract. The survey of polycyclic aromatic hydrocarbons (PAHs) and their relation to potential pollution sources was carried out in sediments from Elelenwo Creek, ...

  10. Aromatic saturation of distillates. An overview

    International Nuclear Information System (INIS)

    Cooper, Barry H.; Donnis, Bjoern B.L.

    1996-01-01

    The saturation of aromatic compounds in distillate fractions and in particular in diesel fuel has received considerable attention in recent years. A high aromatic content is associated with poor fuel quality, giving a low cetane number in diesel fuel and a high smoke point in jet fuel. There is also evidence that particulate emissions in diesel exhaust gases correlate with the aromatic content of the fuel. New legislation has been introduced to limit aromatics in diesel fuel and this has led to new catalyst and process developments for aromatic saturation. This paper gives an overview of these developments. The types of aromatic compounds found in distillate streams are described, and the kinetics of both single (model) compounds and groups of compounds as found in industrial feedstocks are discussed. Both supported metal sulfide and supported noble metal catalysts are used industrially and the paper outlines the role of the active species in these catalysts and compares reaction conditions used for each. The tolerance of different catalyst systems towards sulfur and nitrogen in the feed is dealt with in some detail. Commercial processes employ either single- or dual-stage catalyst systems depending on the nature of the aromatic saturation catalyst. The paper considers the merits of different process configurations. The paper concludes with a brief survey of possible future applications for distillate aromatic saturation catalysts

  11. 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.

  12. Directive Stacked Patch Antenna for UWB Applications

    Directory of Open Access Journals (Sweden)

    Sharif I. Mitu Sheikh

    2013-01-01

    Full Text Available Directional ultrawideband (UWB antennas are popular in wireless signal-tracking and body-area networks. This paper presents a stacked microstrip antenna with an ultrawide impedance bandwidth of 114%, implemented by introducing defects on the radiating patches and the ground plane. The compact (20×34 mm antenna exhibits a directive radiation patterns for all frequencies of the 3–10.6 GHz band. The optimized reflection response and the radiation pattern are experimentally verified. The designed UWB antenna is used to maximize the received power of a software-defined radio (SDR platform. For an ultrawideband impulse radio system, this class of antennas is essential to improve the performance of the communication channels.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Ring Image Analyzer

    Science.gov (United States)

    Strekalov, Dmitry V.

    2012-01-01

    Ring Image Analyzer software analyzes images to recognize elliptical patterns. It determines the ellipse parameters (axes ratio, centroid coordinate, tilt angle). The program attempts to recognize elliptical fringes (e.g., Newton Rings) on a photograph and determine their centroid position, the short-to-long-axis ratio, and the angle of rotation of the long axis relative to the horizontal direction on the photograph. These capabilities are important in interferometric imaging and control of surfaces. In particular, this program has been developed and applied for determining the rim shape of precision-machined optical whispering gallery mode resonators. The program relies on a unique image recognition algorithm aimed at recognizing elliptical shapes, but can be easily adapted to other geometric shapes. It is robust against non-elliptical details of the image and against noise. Interferometric analysis of precision-machined surfaces remains an important technological instrument in hardware development and quality analysis. This software automates and increases the accuracy of this technique. The software has been developed for the needs of an R&TD-funded project and has become an important asset for the future research proposal to NASA as well as other agencies.

  18. 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

  19. 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

  20. On thickness of Saturn rings

    International Nuclear Information System (INIS)

    Brahic, Andre; Laques, Pierre; Lecacheux, Jean; Servan, Bernard; Despiau, Raymond; Michet, Daniel; Renard, Leopold

    1980-01-01

    Electronographic plates of Saturn were taken during the transit of the Earth through the ring plane. Observing conditions were more favorable than those prevailing in 1966. Thanks to the quality of the detectors and the telescopes, it has been possible to make a more precise photometric determination of the brightness of the ring seen edge on and to measure the brightness variation with respect to the distance to the center of the planet. Extrapolating to the case where the elevation of the Earth above the ring plane is strictly zero, we deduce an apparent photometric ring thickness equal to 1.5+-0.3 km. For an homogeneous layer of small particles colliding inelastically, theory predicts a thickness of the order of a few particles radii, i.e. a few tens of meters. The observed brightness could be explained by the E ring, the brightness of large chunks, condensations and warping of the ring [fr

  1. Saturn's Rings and Associated Ring Plasma Cavity: Evidence for Slow Ring Erosion

    Science.gov (United States)

    Farrell, W. M.; Kurth, W. S.; Gurnett, D. A.; Persoon, A. M.; MacDowall, R. J.

    2017-01-01

    We re-examine the radio and plasma wave observations obtained during the Cassini Saturn orbit insertion period, as the spacecraft flew over the northern ring surface into a radial distance of 1.3 Rs (over the C-ring). Voyager era studies suggest the rings are a source of micro-meteoroid generated plasma and dust, with theorized peak impact-created plasma outflows over the densest portion of the rings (central B-ring). In sharp contrast, the Cassini Radio and Plasma Wave System (RPWS) observations identify the presence of a ring-plasma cavity located in the central portion of the B-ring, with little evidence of impact-related plasma. While previous Voyager era studies have predicted unstable ion orbits over the C- ring, leading to field-aligned plasma transport to Saturns ionosphere, the Cassini RPWS observations do not reveal evidence for such instability-created plasma fountains. Given the passive ring loss processes observed by Cassini, we find that the ring lifetimes should extend >10(exp 9) years, and that there is limited evidence for prompt destruction (loss in <100 Myrs).

  2. Caustic rings of dark matter

    International Nuclear Information System (INIS)

    Sikivie, P.

    1997-01-01

    It is shown that the infall of collisionless dark matter onto isolated galaxies produce a series of caustic rings in the halo dark matter distribution. The properties of these caustics are investigated. It is found in particular that the density profile of the caustic behaves as the inverse distance to the ring. Bumps in the rotation curve of NGC 3198 are interpreted as due to caustic rings of dark matter

  3. 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.

  4. Polycyclic aromatic hydrocarbon (PAH) formation from benzyl radicals: a reaction kinetics study.

    Science.gov (United States)

    Sinha, Sourab; Raj, Abhijeet

    2016-03-21

    The role of resonantly stabilized radicals such as propargyl, cyclopentadienyl and benzyl in the formation of aromatic hydrocarbons such as benzene and naphthalene in the high temperature environments has been long known. In this work, the possibility of benzyl recombination to form three-ring aromatics, phenanthrene and anthracene, is explored. A reaction mechanism for it is developed, where reaction energetics are calculated using density functional theory (B3LYP functional with 6-311++G(d,p) basis set) and CBS-QB3, while temperature-dependent reaction kinetics are evaluated using transition state theory. The mechanism begins with barrierless formation of bibenzyl from two benzyl radicals with the release of 283.2 kJ mol(-1) of reaction energy. The further reactions involve H-abstraction by a H atom, H-desorption, H-migration, and ring closure to gain aromaticity. Through mechanism and rate of production analyses, the important reactions leading to phenanthrene and anthracene formation are determined. Phenanthrene is found to be the major product at high temperatures. Premixed laminar flame simulations are carried out by including the proposed reactions for phenanthrene formation from benzyl radicals and compared to experimentally observed species profiles to understand their effects on species concentrations.

  5. 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

  6. 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

  7. Integrated Ring Resonators The Compendium

    CERN Document Server

    Rabus, Dominik G

    2007-01-01

    The optical filter, which has emerged in the last few years in integrated optics, is resonator based. Ring-resonator filters do not require facets or gratings for optical feedback and are thus particularly suited for monolithic integration with other components. Ring resonators find applications not only in optical networks, but also as sensors. The required passband shape of ring resonator-filters can be custom designed by the use of configurations of various ring coupled resonators. This book describes the current state-of-the-art on these devices with respect to design, fabrication and application.

  8. 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....

  9. 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.

  10. 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 to ...

  11. Calculation of AC losses in large HTS stacks and coils

    DEFF Research Database (Denmark)

    Zermeno, Victor; Abrahamsen, Asger Bech; Mijatovic, Nenad

    2012-01-01

    In this work, we present a homogenization method to model a stack of HTS tapes under AC applied transport current or magnetic field. The idea is to find an anisotropic bulk equivalent for the stack of tapes, where the internal alternating structures of insulating, metallic, superconducting and su...

  12. 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...

  13. Coiffured black rings

    Science.gov (United States)

    Bena, Iosif; Ross, Simon F.; Warner, Nicholas P.

    2014-08-01

    We describe a new type of hair on supersymmetric black string and black ring solutions, which produces the largest known violation of black hole uniqueness, parameterized by an arbitrary function and hence an infinite number of continuous parameters. The new solutions can have non-trivial density profiles for the electric fields along the horizon, and yet have a geometry that is regular, although generically not infinitely differentiable, at the horizon. Both neutral and charged probes can cross the horizon without experiencing divergent forces. We also find restricted examples, parameterized by a few arbitrary continuous parameters, where the charge densities fluctuate but the metric does not and hence is completely differentiable. Our new class of solutions owes its existence to a mechanism reminiscent of the Q-ball: in the simplest examples the metric has more symmetry than the matter that supports it.

  14. Ring-constrained Join

    DEFF Research Database (Denmark)

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

    2008-01-01

    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....... 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...... from the conventional distance joins and closest pairs problems. We are not aware of efficient processing algorithms for RCJ in the literature. A brute-force solution requires computational cost quadratic to input size and it does not scale well for large datasets. In view of this, we develop efficient...

  15. The behaviour of stacking fault energy upon interstitial alloying.

    Science.gov (United States)

    Lee, Jee-Yong; Koo, Yang Mo; Lu, Song; Vitos, Levente; Kwon, Se Kyun

    2017-09-11

    Stacking fault energy is one of key parameters for understanding the mechanical properties of face-centered cubic materials. It is well known that the plastic deformation mechanism is closely related to the size of stacking fault energy. Although alloying is a conventional method to modify the physical parameter, the underlying microscopic mechanisms are not yet clearly established. Here, we propose a simple model for determining the effect of interstitial alloying on the stacking fault energy. We derive a volumetric behaviour of stacking fault energy from the harmonic approximation to the energy-lattice curve and relate it to the contents of interstitials. The stacking fault energy is found to change linearly with the interstitial content in the usual low concentration domain. This is in good agreement with previously reported experimental and theoretical data.

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

    DEFF Research Database (Denmark)

    Andreasen, Søren Juhl; Kær, Søren Knudsen

    2007-01-01

    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...... parts, where also the temperatures are measured. The heat balance of the system involves a fuel cell model to describe the heat added by the fuel cells when a current is drawn. Furthermore the model also predicts the temperatures, when heating the stack with external heating elements for start-up, heat...... 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...

  17. Direct methanol fuel cell stack based on MEMS technology

    Science.gov (United States)

    Zhang, Yufeng; Tang, Xiaochuan; Yuan, Zhenyu; Liu, Xiaowei

    2008-10-01

    This paper presents a design configuration of silicon-based micro direct methanol fuel cell (DMFC) stack in a planar array. The integrated series connection is oriented in a "flip-flop" configuration with electrical interconnections made by thin-film metal layers that coat the flow channels etched in the silicon substrate. The configuration features small connection space and low contact resistance. The MEMS fabrication process was utilized to fabricate the silicon plates of DMFC stack. This DMFC stack with an active area of 64mm x 11mm was characterized at room temperature and normal atmosphere. Experimental results show that the prototype stack is able to generate an open-circuit voltage of 2.7V and a maximum power density of 2.2mW/cm2, which demonstrate the feasibility of this new DMFC stack configuration.

  18. Deformation Induced Microtwins and Stacking Faults in Aluminum Single Crystal

    Science.gov (United States)

    Han, W. Z.; Cheng, G. M.; Li, S. X.; Wu, S. D.; Zhang, Z. F.

    2008-09-01

    Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.

  19. Physical Sciences Laboratory 1 Rooftop Stack Mixing Study

    Energy Technology Data Exchange (ETDEWEB)

    Flaherty, Julia E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Antonio, Ernest J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-09-30

    To address concerns about worker exposures on the Physical Science Laboratory (PSL) rooftop, a tracer study was conducted to measure gaseous tracer concentrations downwind of six stacks on the southern half of the PSL building (PSL-1). These concerns were raised, in part, due to the non-standard configuration of the stacks on this building. Five of the six stacks were only about 8 feet tall, with one shorter stack that was essentially level with the roof deck. These stacks were reconfigured in August 2016, and these exhaust points on PSL-1 are now 18 feet tall. This report describes the objectives of the tracer tests performed on PSL-1, provides an overview of how the tests were executed, and presents results of the tests. The tests on the PSL rooftop were a follow-on project from a similar study performed on the LSL-II ventilation exhaust (Flaherty and Antonio, 2016).

  20. On separable extensions of group rings and quaternion rings

    Directory of Open Access Journals (Sweden)

    George Szeto

    1978-01-01

    Full Text Available The purposes of the present paper are (1 to give a necessary and sufficient condition for the uniqueness of the separable idempotent for a separable group ring extension RG(R may be a non-commutative ring, and (2 to give a full description of the set of separable idempotents for a quaternion ring extension RQ over a ring R, where Q are the usual quaternions i,j,k and multiplication and addition are defined as quaternion algebras over a field. We shall show that RG has a unique separable idempotent if and only if G is abelian, that there are more than one separable idempotents for a separable quaternion ring RQ, and that RQ is separable if and only if 2 is invertible in R.

  1. 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

  2. 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.

  3. Polycyclic aromatic hydrocarbons in pine and spruce shoots-temporal trends and spatial distribution.

    Science.gov (United States)

    Schröter-Kermani, Christa; Kreft, Dirk; Schilling, Bernd; Herrchen, Monika; Wagner, Gerhard

    2006-08-01

    In the framework of the German environmental specimen bank one-year old spruce shoots (Picea abies) and pine shoots (Pinus sylvestris) serve as bioindicators for the atmospheric pollution. Sampling is performed in two urbanized areas in western and eastern Germany (Warndt and Duebener Heide, respectively), and in seven different rural locations. Prior to archiving conifer shoots are continuously analyzed for a set of 17 individual polycyclic aromatic hydrocarbons (PAHs). The results from the two urbanized areas show that the atmospheric contamination with PAH has declined by about 75% between 1985 and 2004 at Warndt and by about 85% between 1991 and 2004 at Duebener Heide. However, summation operatorPAH concentrations stayed virtually constant at both locations since the end of the 1990s at levels of about 100 ng g(-1) wet weight (ww). In spruce shoots from rural areas current concentrations of PAHs are significantly lower and vary between 8 and 61 ng g(-1) ww. In all shoot samples the four low molecular aromatics phenanthrene, fluoranthene, pyrene, and chrysene dominate the pattern by contributing 60 to 90% to summation operatorPAH. The group of high molecular weight aromatics is dominated by benzo[b,j,k]fluoranthene, especially in spruce shoots originating from greater altitudes remarkable amounts of six and seven ringed PAHs could be detected. Despite the strong decrease of PAH concentrations in urban areas patterns of aromatics remained nearly unchanged in the observation period 1985 to 2004.

  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. 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.

  6. Ring formation from a drying sessile colloidal droplet

    Directory of Open Access Journals (Sweden)

    Wenbin Zhang

    2013-10-01

    Full Text Available Ring formation from drying sessile colloidal droplets (∼1.0 mm in size containing microparticles of silicon or polystyrene was investigated with video microscopy. Results show that ring formation begins at the pinned contact line with the growth of an annular nucleus in a line by line way, which recedes inward albeit only slightly, followed by stacking of particles when the flow velocity becomes sufficiently large. The central height of the droplet decreases linearly with evaporation time, which implies that in the early stage, the number of particles arriving at contact line increases with time in a power law N∝t3/(1 + λ, where the parameter λ, according to Deegan's evaporation model, is related to the contact angle via λ=π−2θc2π−2θc. Experimental values of λ agree well with model calculation for small contact angles, but are relatively smaller in the case of large contact angles. ‘Amorphization’ mechanism for the deposit at different stages of evaporation is discussed. Marangoni flow in a droplet on heated substrate introduces a desorption path for particles along the liquid surface, which can partially resolve the ring. Residual particles floating on the liquid surface may leave behind a homogeneous monolayer coating inside the dried spot. A “jump” in the droplet surface area at later stage of evaporation seems inevitably to cause a depletion zone of particles next to the ring. These results may be helpful for the development of strategies towards suppression of coffee ring effect and/or obtaining homogeneous coatings from drying colloidal suspension.

  7. Removal and transformation of polycyclic aromatic hydrocarbons during electrocoagulation treatment of an industrial wastewater.

    Science.gov (United States)

    Gong, Chenhao; Shen, Gang; Huang, Haiou; He, Peiran; Zhang, Zhongguo; Ma, Baoqing

    2017-02-01

    Polycyclic aromatic hydrocarbons (PAHs) are an important class of water pollutants because of their known ecological and human toxicity. Electrocoagulation (EC) is a promising technology for mitigating industrial wastewater pollution, but the removal and transformation of PAHs during EC treatment has not yet been understood. Therefore, a paper-making wastewater effluent (PMWW) was employed in this study to investigate the relationship between PAHs' removal and transformation during EC treatment. The results show that 86% of PAHs were effectively removed not only by the electro-oxidation reactions, but also by adsorption onto Fe hydroxide flocs. The removal and transformation of PAHs were related to the number of rings in their structures. Some PAHs composed of two aromatic rings (e.g., naphthaline and dimethylnaphthalene) were produced from humic acid-like and fulvic acid-like organics in PMWW, while PAHs with three to four rings were degraded, thus being removed efficiently. Therefore, PAH transformation during EC treatment exerted double-sided effects on the removal of PAHs; the net effect appeared to be positive. Overall, this study revealed the existence and importance of PAH transformation during EC treatment and provided useful guidance for pulp and paper mills to improve the design and operation of wastewater treatment facilities. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. 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

  9. Conservation of medicinal and aromatic plants

    Directory of Open Access Journals (Sweden)

    Šveistytė, Laima

    2016-07-01

    Full Text Available The conservation of medicinal and aromatic plants includes ex situ and in situ methods. The genetic recourses of medicinal and aromatic plants are stored, studied and constantly maintained in the field collections of the Institute of Botany of Nature Research Centre, Kaunas Botanical Garden of Vytautas Magnus University and Aleksandras Stulginskis University of Agriculture. Presently seeds of 214 accessions representing 38 species of medicinal and aromatic plants are stored in a long-term storage in the Plant Gene Bank. The data about national genetic resources are collected and stored in the Central Database of the Plant Gene Bank.

  10. Acceleration and stacking of /alpha/ particles in the cern linac, ps and isr

    International Nuclear Information System (INIS)

    Boutheon, M.; Cappi, R.; Haseroth, H.; Hill, C.E.; Koutchouk, J.P.

    1981-01-01

    The CERN Intersecting Storage Rings (ISR) have been successfully operated with sufficient /alpha/ particles for experiments at total center of mass energies up to 120 GeV. Initially, the small beam currents obtainable from the (old) Linac hampered machine studies with the PS so that conclusive experiments similar to those done with deuterons were not possible. Recent attempts to increase the intensity by stripping a He/sup +/ beam at 520 keV succeeded and gave 10 mA of /alpha/ particles from the Linac. Multiturn injection and acceleration in the PS produced 2*10/sup 11/ particles/pulse and stacking in the ISR resulted in a maximum stored beam intensity of 4.2 A at 52 GeV. 5 refs

  11. DELPHI's Ring Imaging Cherenkov Chamber

    CERN Multimedia

    1989-01-01

    The hundreds of mirrors around this Ring Imaging Cherenkov Chamber reflect cones of light created by fast moving particles to a detector. The velocity of a particle can be measured by the size of the ring produced on the detector. DELPHI, which ran from 1989 to 2000 on the LEP accelerator, was primarily concerned with particle identification.

  12. Caustic rings of dark matter

    OpenAIRE

    Sikivie, Pierre

    1997-01-01

    It is shown that the infall of collisionless dark matter onto isolated galaxies produces a series of caustic rings in the halo dark matter distribution. The properties of these caustics are investigated. The density profile of the caustic is derived for a specific case. Bumps in the rotation curve of NGC 3198 are interpreted as due to caustic rings of dark matter.

  13. 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

  14. 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 ).

  15. 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.

  16. 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.

  17. Burnside Rings of Fusion Systems

    DEFF Research Database (Denmark)

    Reeh, Sune Precht

    In this thesis we study the interactions between saturated fusion systems and group actions of the underlying p-groups. For a saturated fusion system F on a finite p-group S we construct the Burnside ring of F in terms of the finite S-sets whose actions respect the structure of the fusion system...... of Burnside rings given by multiplication with the characteristic idempotent, and we show that this map is the transfer map previously constructed. Applying these results, we show that for every saturated fusion system the ring generated by all (non-idempotent) characteristic elements in the p-local double...... Burnside ring is isomorphic to the p-local Burnside ring of the fusion system, and we disprove a conjecture by Park-Ragnarsson-Stancu on the composition product of fusion systems....

  18. 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.

  19. Aromatic derivatives of 1H-2,3-dihydropyrazolo(4,5-b)-1,5-diazepine

    Energy Technology Data Exchange (ETDEWEB)

    Orlov, V.D.; Kiroga, Kh.; Kolos, N.N.

    1987-09-01

    Aromatic derivatives of 1H-2,3-dihydropyrazole(4,5-b)-1,5-diazepine were obtained by the reaction of 1-phenyl-3-methyl-4,5-diaminopyrazole with chalcones and acetylarenes, catalyzed by acetic or sulfuric acid. The seven-membered ring in these compounds has a conformation of the boat type. The IR, UV, PMR, and mass spectra of the compounds are discussed.

  20. 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.

  1. Stacking faults in austempered ductile iron

    Energy Technology Data Exchange (ETDEWEB)

    Hermida, J.D. [CNEA, San Martin (Argentina). Dept. de Materiales

    1996-06-01

    During last decade, Austempered Ductile Iron (ADI) has been successfully used as an acceptable replacement material for steel in many applications, due to the relatively high strength and reasonable ductility obtained. These properties are the result of the special microstructure exhibited by this material at the end of the upper bainite reaction: ferrite platelets surrounded by high carbon stabilized austenite. However, at the beginning of the austempering treatment, the existence of interdendritic low carbon austenite is revealed by its transformation to martensite when cooling the sample or during subsequent deformation. The completion of the upper bainite reaction is of decisive importance to mechanical properties because the remaining martensite reduces ductility. It was observed that the rate of the upper bainite reaction is governed by the carbon content difference between the low and high carbon austenites. The carbon content is obtained by the lattice parameter measurement, because there exists a known expression that relates both magnitudes. Several works have used X-ray diffraction to measure the lattice parameter and phase concentrations as a function of austempering time. In these works, the lattice parameters were obtained directly from the {l_brace}220{r_brace} and {l_brace}311{r_brace} peaks position. The purpose of this work is to show more precise lattice parameters measurement and, very closely related to this, the existence of stacking faults in austenite, even at times within the processing window.

  2. 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...

  3. 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.

  4. 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.

  5. 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.

  6. Aromatic Polyamines Covalent Triazine Polymer as Sorbent for CO2 Adsorption

    Science.gov (United States)

    Lee, Siew-Pei; Mellon, N.; Shariff, Azmi M.; Leveque, Jean-Marc

    2017-08-01

    A novel aromatic polyamine covalent triazine-based polymer, CPDA was obtained by the polymerization of amino group (1,4-phenylenediamine) and cyanuric chloride. CPDA was characterized with Fourier Transform Infra-red spectroscopy (FTIR) and the thermal behaviour was studied with thermal gravimetric analysis (TGA) and derivative thermal analysis (DTA). A comparison study for CO2 adsorption capacity on covalent organic polymer 1 (COP-1) and CPDA was performed. By introducing the aromatic ring into the nitrogen fertile triazine based system, the thermal stability of the network is enhanced. Polymer structure containing secondary amine functionality was observed in this study. Besides, the suggested chemical pathway is another approach to synthesis of covalent organic materials using economic monomers and absence of expensive catalyst.

  7. 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.

  8. Dissolved and Suspended Polycyclic Aromatic Hydrocarbons (PAH in the North Aegean Sea

    Directory of Open Access Journals (Sweden)

    I. HATZIANESTIS

    2002-06-01

    Full Text Available The distribution and sources of polycyclic aromatic hydrocarbons (PAH were investigated in the seawater of the North Aegean Sea. The measured PAH concentrations in SPM are generally considered as elevated for open sea waters and were evenly distributed in the area. Their levels in the dissolved phase (1.6-33.0 ng/l were much higher than those encountered in the corresponding particulate phases (0.04-10.2 ng/l. The PAH patterns in both phases were dominated by the three ring aromatics and their alkylated derivatives, reflecting a predominant contribution of fossil hydrocarbons probably related to ship traffic, whereas no significant inputs from the rivers outfalling in the area were detected. In bottom waters PAH values were generally lower, whereas a higher depletion of the petroleum PAH in comparison with the pyrolytic ones according to depth was observed.

  9. Biodegradation of oil- and creosote-related aromatic compounds under nitrate-reducing conditions

    International Nuclear Information System (INIS)

    Flyvbjerg, J.; Arvin, E.; Jensen, B.K.; Olsen, S.K.

    1991-01-01

    Oil- and creosote-contaminated groundwater typically contains a complex mixture of phenolic compounds, aromatic hydrocarbons with one to three rings, and nitrogen, sulphur, and oxygen-containing heterocyclic compounds. It is well established that most of these chemicals are easily biodegraded in the presence of oxygen, but comparatively little is known about their biodegradability under anaerobic conditions. However, the past 10 years have seen an increasing interest in the potential of nitrate- reducing bacteria for pollutant destruction. This is because nitrate-reducing redox conditions often exist between the aerobic and strictly anaerobic zones in polluted aquifers, and because the addition of nitrate to contaminated sites would be a feasibly in situ technique due to the low cost and high solubility of this electron acceptor. The purpose of this paper is to investigate the potential for biodegradation of phenols and aromatic hydrocarbons in creosote-contaminated groundwater during nitrate-reducing conditions

  10. Synthesis and evaluation of aromaticity and tautomerization of ...

    Indian Academy of Sciences (India)

    Aromaticity of pyrazolopyridazin(on)es was investigated using NICS(0), NICS(1), NICSzz(1), FIPC-NICS and HOMA aromaticity indexes and it was observed that aromaticity of pyridazin(on)es was amenable to aromaticity of pyrazole and vice versa. Some tautomeric forms of pyridazinone were analyzedand the localized ...

  11. Efficiency of Polymer Electrolyte Membrane Fuel Cell Stack

    Directory of Open Access Journals (Sweden)

    Hans Bosma

    2011-08-01

    Full Text Available This paper applies a feedforward control of optimal oxygen excess ratio that maximize net power (improve efficiency of a NedStack P8.0-64 PEM fuel cell stack (FCS system. Net powers profile as a function of oxygen excess ratio for some points of operation are analyzed by using FCS model. The relationships between stack current and the corresponding control input voltage that gives an optimal oxygen excess ratio are used to design a feedforward control scheme. The results of this scheme are compared to the results of a feedforward control using a constant oxygen excess ratio. Simulation results show that optimal oxygen excess ratio improves fuel cell performance compared to the results of constant oxygen excess ratio. The same procedures are performed experimentally for the FCS system. The behaviour of the net power of the fuel cell stack with respect to the variation of oxygen excess ratio is analyzed to obtain optimal values. Data of stack current and the corresponding voltage input to the compressor that gives optimal values of oxygen excess ratio are used to develop a feedforward control. Feedforward control based on constant and optimal oxygen excess ratio control, are implemented in the NedStack P8.0-64 PEM fuel cell stack system by using LabVIEW. Implementation results shows that optimal oxygen excess ratio control improves the fuel cell performance compared to the constant oxygen excess ratio control.

  12. 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)

  13. Activity relationships for aromatic crown ethers

    CERN Document Server

    Wilson, M J

    1998-01-01

    This thesis involves an investigation of aromatic crown ethers and a study of their binding constants for alkali metals. The study was motivated by the current needs of the semiconductor industry to improve the scavenging of mobile ions from fabricated circuits. A number of aromatic crown ethers have been sulphonated in an attempt to improve their water solubility and cation binding activity. These materials have been extensively studied and their binding activity determined. In collaboration with a molecular modelling study, the effect of ionisable sulphonate groups on the macrocycles' behaviour has been investigated. The broader issue of the effect of substituents in aromatic crown ethers has also been studied with the preparation of a wide range of substituted crown ethers. The cation binding activity of these materials has been found to bear a simple relationship to the electron withdrawing nature of the aromatic substituents. This relationship can be accurately monitored using electronic charge densities...

  14. Graphite Oxide and Aromatic Amines : Size Matters

    NARCIS (Netherlands)

    Spyrou, Konstantinos; Calvaresi, Matteo; Diamanti, Evmorfi A. K.; Tsoufis, Theodoros; Gournis, Dimitrios; Rudolf, Petra; Zerbetto, Francesco

    2015-01-01

    Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline

  15. 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

  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. Medicinally important aromatic plants with radioprotective activity.

    Science.gov (United States)

    Samarth, Ravindra M; Samarth, Meenakshi; Matsumoto, Yoshihisa

    2017-11-01

    Aromatic plants are often used as natural medicines because of their remedial and inherent pharmacological properties. Looking into natural resources, particularly products of plant origin, has become an exciting area of research in drug discovery and development. Aromatic plants are mainly exploited for essential oil extraction for applications in industries, for example, in cosmetics, flavoring and fragrance, spices, pesticides, repellents and herbal beverages. Although several medicinal plants have been studied to treat various conventional ailments only a handful studies are available on aromatic plants, especially for radioprotection. Many plant extracts have been reported to contain antioxidants that scavenge free radicals produced due to radiation exposure, thus imparting radioprotective efficacy. The present review focuses on a subset of medicinally important aromatic plants with radioprotective activity.

  18. Determination of carcinogenic polycyclic aromatic hydrocarbons ...

    African Journals Online (AJOL)

    Determination of carcinogenic polycyclic aromatic hydrocarbons (pahs), anthracene in different variety of fish samples in the Bangsai river of Bangladesh. F Yeasmin, SMM Rahman, S Rana, KJ Fatema, MA Hossain ...

  19. 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

  20. Aromaticity and relative stabilities of azines.

    Science.gov (United States)

    Wang, Yan; Wu, Judy I-Chia; Li, Qianshu; Schleyer, Paul von Ragué

    2010-11-05

    The most refined nucleus-independent chemical shift index (NICS(0)(πzz)) and the extra cyclic resonance energies (ECREs), based on the block localized wave function (BLW) method, show that the aromaticity of all azines is like that of benzene. The same is true for aza-naphthalenes relative to naphthalene. The lower relative energies of isomers with vicinal N's are due to the weakness of NN bonds rather than to reduced aromaticity.

  1. Aromatic Medicinal Plants from Tajikistan (Central Asia).

    Science.gov (United States)

    Sharopov, Farukh S; Zhang, Hanjing; Wink, Michael; Setzer, William N

    2015-02-17

    Tajikistan is a small country located in Central Asia. The mostly mountainous terrain with a continental, subtropical, and semiarid climate, is characterized by diverse flora. Many people in Tajikistan rely on medicinal plants as their traditional form of medicine to prevent and cure health disorders. Aromatic medicinal plants, in particular, have played an important role for the local people. In this review, we present a summary of the uses of 18 aromatic medicinal plants from Tajikistan and their compositions of secondary metabolites.

  2. 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

  3. Decay ring status / studies

    CERN Document Server

    Chance, A

    2008-01-01

    The aim of "beta-beams" is to produce highly energetic pure electron neutrino and anti-neutrino beams coming from β-decay of radioactive ions. In CERN baseline, after accelerating, the ions 6He2+ and 18Ne10+ are stored in a racetrack-shaped-decay ring until they are lost [1]. Consequently, the injection compensates the losses which occurred between two cycles. Two main loss sources were identified: the β decay and the injection scheme. After giving the optics, we will see how to protect the magnetic elements from the decay products. The injections scheme will be then detailed with its implications. We will see that the injection process makes a collimation section in energy necessary. Since the magnetic elements are not perfect, we will take into account the magnet misalignment and the multipole defects in the dipoles. We will talk then about the closed orbit distortion due to misalignment defects and about the long-term transverse stability with the dynamic aperture.

  4. JAERI storage ring JSR

    International Nuclear Information System (INIS)

    Yokomizo, H.; Harada, S.; Yanagida, K.; Yokoyama, M.; Nagai, T.; Suzuki, Y.; Mashiko, K.; Ishizaki, N.; Tayama, H.

    1990-01-01

    A design study for a next generation 8 GeV synchrotron radiation facility is in progress in Japan, and the Japan Atomic Energy Research Institute (JAERI) and Institute of Physical and Chemical Research (RIKEN) have join forces in this project. A compact electron storage ring JSR has been under construction in the linac building in the Tokai Research Establishment of JAERI to serve for studies of various kind of accelerator technologies, examination of insertion devices and beam monitors, and training of young researchers. This paper describes the lattice design, injection system, magnets, vacuum system, RF system, control system and beam monitors and presents some operation results regarding the electron beam injection and storage. The JSR is presently in good condition concerning it's fundamental functions such as injection, storage at around 150 MeV and 300 MeV, and acceleration from 150 MeV and 300 MeV. Photon induced gas desorption is still large because the vacuum chamber has not been aged heavily by synchrotron radiation. (N.K.)

  5. Is the bell ringing?

    CERN Multimedia

    Francesco Poppi

    2010-01-01

    During the Nobel prize-winning UA1 experiment, scientists in the control room used to ring a bell if a particularly interesting event had occurred. Today, the “CMS Exotica hotline” routine produces a daily report that lists the exotic events that were recorded the day before.   Display of an event selected by the Exotica routine. Take just a very small fraction of the available data (max. 5%); define the events that you want to keep and set the parameters accordingly; run the Exotica routine and only look at the very few images that the system has selected for you. This is the recipe that a small team of CMS researchers has developed to identify the signals coming from possible new physics processes. “This approach does not replace the accurate data analysis on the whole set of data. However, it is a very fast and effective way to focus on just a few events that are potentially very interesting”, explains Maurizio Pierini (CERN), who developed the...

  6. Consolidity: Stack-based systems change pathway theory elaborated

    Directory of Open Access Journals (Sweden)

    Hassen Taher Dorrah

    2014-06-01

    Full Text Available This paper presents an elaborated analysis for investigating the stack-based layering processes during the systems change pathway. The system change pathway is defined as the path resulting from the combinations of all successive changes induced on the system when subjected to varying environments, activities, events, or any excessive internal or external influences and happenings “on and above” its normal stands, situations or set-points during its course of life. The analysis is essentially based on the important overall system paradigm of “Time driven-event driven-parameters change”. Based on this paradigm, it is considered that any affected activity, event or varying environment is intelligently self-recorded inside the system through an incremental consolidity-scaled change in system parameters of the stack-based layering types. Various joint stack-based mathematical and graphical approaches supported by representable case studies are suggested for the identification, extraction, and processing of various stack-based systems changes layering of different classifications and categorizations. Moreover, some selected real life illustrative applications are provided to demonstrate the (infinite stack-based identification and recognition of the change pathway process in the areas of geology, archeology, life sciences, ecology, environmental science, engineering, materials, medicine, biology, sociology, humanities, and other important fields. These case studies and selected applications revealed that there are general similarities of the stack-based layering structures and formations among all the various research fields. Such general similarities clearly demonstrate the global concept of the “fractals-general stacking behavior” of real life systems during their change pathways. Therefore, it is recommended that concentrated efforts should be expedited toward building generic modular stack-based systems or blocks for the mathematical

  7. Loop Entropy Assists Tertiary Order: Loopy Stabilization of Stacking Motifs

    Directory of Open Access Journals (Sweden)

    Daniel P. Aalberts

    2011-11-01

    Full Text Available The free energy of an RNA fold is a combination of favorable base pairing and stacking interactions competing with entropic costs of forming loops. Here we show how loop entropy, surprisingly, can promote tertiary order. A general formula for the free energy of forming multibranch and other RNA loops is derived with a polymer-physics based theory. We also derive a formula for the free energy of coaxial stacking in the context of a loop. Simulations support the analytic formulas. The effects of stacking of unpaired bases are also studied with simulations.

  8. Mixed Mechanism of Lubrication by Lipid Bilayer Stacks.

    Science.gov (United States)

    Boţan, Alexandru; Joly, Laurent; Fillot, Nicolas; Loison, Claire

    2015-11-10

    Although the key role of lipid bilayer stacks in biological lubrication is generally accepted, the mechanisms underlying their extreme efficiency remain elusive. In this article, we report molecular dynamics simulations of lipid bilayer stacks undergoing load and shear. When the hydration level is reduced, the velocity accommodation mechanism changes from viscous shear in hydration water to interlayer sliding in the bilayers. This enables stacks of hydrated lipid bilayers to act as efficient boundary lubricants for various hydration conditions, structures, and mechanical loads. We also propose an estimation for the friction coefficient; thanks to the strong hydration forces between lipid bilayers, the high local viscosity is not in contradiction with low friction coefficients.

  9. On $k$-stellated and $k$-stacked spheres

    OpenAIRE

    Bagchi, Bhaskar; Datta, Basudeb

    2012-01-01

    We introduce the class $\\Sigma_k(d)$ of $k$-stellated (combinatorial) spheres of dimension $d$ ($0 \\leq k \\leq d + 1$) and compare and contrast it with the class ${\\cal S}_k(d)$ ($0 \\leq k \\leq d$) of $k$-stacked homology $d$-spheres. We have $\\Sigma_1(d) = {\\cal S}_1(d)$, and $\\Sigma_k(d) \\subseteq {\\cal S}_k(d)$ for $d \\geq 2k - 1$. However, for each $k \\geq 2$ there are $k$-stacked spheres which are not $k$-stellated. The existence of $k$-stellated spheres which are not $k$-stacked remains...

  10. Stacking by electroinjection with discontinuous buffers in capillary zone electrophoresis.

    Science.gov (United States)

    Shihabi, Zak K

    2002-08-01

    The work presented here demonstrates that electroinjection can be performed using discontinuous buffers, which can result in better stacking than that obtained by hydrodynamic injection. The sample can be concentrated at the tip of the capillary leaving practically the whole capillary for sample separation. This results in several advantages, such as better sample concentration, higher plate number and shorter time of stacking. However, sample introduction by electromigration is suited for samples free or low in salt content. Samples, which are high in salt content, are better introduced by the hydrodynamic injection for stacking by the discontinuous buffers. Different simple methods to introduce the discontinuity in the buffer for electroinjection are discussed.

  11. Optimized stacked RADFETs for milli-rad dose measurement

    International Nuclear Information System (INIS)

    O'Connell, B.; Lane, B.; Mohammadzadeh, A.

    1999-01-01

    This paper details the improvements in the design of stacked RADFETs for increased radiation sensitivity. The issues of high read-out voltage has been shown to be a draw-back. It is the body (bulk)effect factor that is responsible for the increased overall stack Threshold voltage (V T ), which is greater than the sum of the individual devices V T . From extensive process and device simulation and resultant circuit simulation, modified stack structures have been proposed and designed. New and exciting result of lower initial (pre-irradiation) output voltage as well as increased radiation sensitivity will be presented. (author)

  12. Particle properties and processes in Uranus' rings

    Science.gov (United States)

    Esposito, L. W.; Brahic, A.; Burns, J. A.; Marouf, Essam A.

    1991-01-01

    The particle properties and processes in the Uranian rings are analyzed from Voyager observations and ground-based data. Occultation observations of the epsilon ring are interpreted to yield an effective size of the ring particles that exceeds 70 cm, a surface mass density that exceeds 80 g/sq cm, and a ring vertical thickness greater than tens of meters for solid ice particles. The particles forming the classic rings are dark and gray, with albedo of 0.014 +/-0.004. It is argued that the small amount of dust that exists in the classical rings and between the rings in bands is created by erosion of ring particles and unseen satellites resulting from collisions and micrometeoroid bombardment. As proposed for regions of the other known ring systems, new ring material can be continually created by the destruction of small moons near the rings, which may explain the youthful appearance of the Uranian rings.

  13. The excited state antiaromatic benzene ring: a molecular Mr Hyde?

    Science.gov (United States)

    Papadakis, Raffaello; Ottosson, Henrik

    2015-09-21

    The antiaromatic character of benzene in its first ππ* excited triplet state (T1) was deduced more than four decades ago by Baird using perturbation molecular orbital (PMO) theory [J. Am. Chem. Soc. 1972, 94, 4941], and since then it has been confirmed through a range of high-level quantum chemical calculations. With focus on benzene we now first review theoretical and computational studies that examine and confirm Baird's rule on reversal in the electron count for aromaticity and antiaromaticity of annulenes in their lowest triplet states as compared to Hückel's rule for the ground state (S0). We also note that the rule according to quantum chemical calculations can be extended to the lowest singlet excited state (S1) of benzene. Importantly, Baird, as well as Aihara [Bull. Chem. Soc. Jpn. 1978, 51, 1788], early put forth that the destabilization and excited state antiaromaticity of the benzene ring should be reflected in its photochemical reactivity, yet, today these conclusions are often overlooked. Thus, in the second part of the article we review photochemical reactions of a series of benzene derivatives that to various extents should stem from the excited state antiaromatic character of the benzene ring. We argue that benzene can be viewed as a molecular "Dr Jekyll and Mr Hyde" with its largely unknown excited state antiaromaticity representing its "Mr Hyde" character. The recognition of the "Jekyll and Hyde" split personality feature of the benzene ring can likely be useful in a range of different areas.

  14. Carbohydrate-Aromatic Interactions in Proteins.

    Science.gov (United States)

    Hudson, Kieran L; Bartlett, Gail J; Diehl, Roger C; Agirre, Jon; Gallagher, Timothy; Kiessling, Laura L; Woolfson, Derek N

    2015-12-09

    Protein-carbohydrate interactions play pivotal roles in health and disease. However, defining and manipulating these interactions has been hindered by an incomplete understanding of the underlying fundamental forces. To elucidate common and discriminating features in carbohydrate recognition, we have analyzed quantitatively X-ray crystal structures of proteins with noncovalently bound carbohydrates. Within the carbohydrate-binding pockets, aliphatic hydrophobic residues are disfavored, whereas aromatic side chains are enriched. The greatest preference is for tryptophan with an increased prevalence of 9-fold. Variations in the spatial orientation of amino acids around different monosaccharides indicate specific carbohydrate C-H bonds interact preferentially with aromatic residues. These preferences are consistent with the electronic properties of both the carbohydrate C-H bonds and the aromatic residues. Those carbohydrates that present patches of electropositive saccharide C-H bonds engage more often in CH-π interactions involving electron-rich aromatic partners. These electronic effects are also manifested when carbohydrate-aromatic interactions are monitored in solution: NMR analysis indicates that indole favorably binds to electron-poor C-H bonds of model carbohydrates, and a clear linear free energy relationships with substituted indoles supports the importance of complementary electronic effects in driving protein-carbohydrate interactions. Together, our data indicate that electrostatic and electronic complementarity between carbohydrates and aromatic residues play key roles in driving protein-carbohydrate complexation. Moreover, these weak noncovalent interactions influence which saccharide residues bind to proteins, and how they are positioned within carbohydrate-binding sites.

  15. Carbohydrate–Aromatic Interactions in Proteins

    Science.gov (United States)

    2015-01-01

    Protein–carbohydrate interactions play pivotal roles in health and disease. However, defining and manipulating these interactions has been hindered by an incomplete understanding of the underlying fundamental forces. To elucidate common and discriminating features in carbohydrate recognition, we have analyzed quantitatively X-ray crystal structures of proteins with noncovalently bound carbohydrates. Within the carbohydrate-binding pockets, aliphatic hydrophobic residues are disfavored, whereas aromatic side chains are enriched. The greatest preference is for tryptophan with an increased prevalence of 9-fold. Variations in the spatial orientation of amino acids around different monosaccharides indicate specific carbohydrate C–H bonds interact preferentially with aromatic residues. These preferences are consistent with the electronic properties of both the carbohydrate C–H bonds and the aromatic residues. Those carbohydrates that present patches of electropositive saccharide C–H bonds engage more often in CH−π interactions involving electron-rich aromatic partners. These electronic effects are also manifested when carbohydrate–aromatic interactions are monitored in solution: NMR analysis indicates that indole favorably binds to electron-poor C–H bonds of model carbohydrates, and a clear linear free energy relationships with substituted indoles supports the importance of complementary electronic effects in driving protein–carbohydrate interactions. Together, our data indicate that electrostatic and electronic complementarity between carbohydrates and aromatic residues play key roles in driving protein–carbohydrate complexation. Moreover, these weak noncovalent interactions influence which saccharide residues bind to proteins, and how they are positioned within carbohydrate-binding sites. PMID:26561965

  16. Ion Rings for Magnetic Fusion

    Energy Technology Data Exchange (ETDEWEB)

    Greenly, John, B.

    2005-07-31

    This Final Technical Report presents the results of the program, Ion Rings for Magnetic Fusion, which was carried out under Department of Energy funding during the period August, 1993 to January, 2005. The central objective of the program was to study the properties of field-reversed configurations formed by ion rings. In order to reach this objective, our experimental program, called the Field-reversed Ion Ring Experiment, FIREX, undertook to develop an efficient, economical technology for the production of field-reversed ion rings. A field-reversed configuration (FRC) in which the azimuthal (field-reversing) current is carried by ions with gyro-radius comparable to the magnetic separatrix radius is called a field-reversed ion ring. A background plasma is required for charge neutralization of the ring, and this plasma will be confined within the ring's closed magnetic flux. Ion rings have long been of interest as the basis of compact magnetic fusion reactors, as the basis for a high-power accelerator for an inertial fusion driver, and for other applications of high power ion beams or plasmas of high energy density. Specifically, the FIREX program was intended to address the longstanding question of the contribution of large-orbit ions to the observed stability of experimental FRCs to the MHD tilt mode. Typical experimental FRCs with s {approx} 2-4, where s is the ratio of separatrix radius to ion gyro-radius, have been stable to tilting, but desired values for a fusion reactor, s > 20, should be unstable. The FIREX ring would consist of a plasma with large s for the background ions, but with s {approx} 1 for the ring ions. By varying the proportions of these two populations, the minimum proportion of large-orbit ions necessary for stability could be determined. The incorporation of large-orbit ions, perhaps by neutral-beam injection, into an FRC has been advanced for the purpose of stabilizing, heating, controlling angular momentum, and aiding the formation

  17. Treatment of Unstable Pelvic Ring Injuries.

    Science.gov (United States)

    Kim, Weon-Yoo

    2014-06-01

    Pelvic fractures are classified according to the stability of the pelvic ring. Unlike stable pelvic fractures, which heal without complications, unstable fractures may lead to pelvic ring deformities, which cause severe complications. An orthopedic surgeon must determine the stability of the pelvic ring by radiography and physical examination of the patient in order to ensure early, prompt treatment. This article includes anatomy of the pelvic ring, classification of pelvic ring injuries, its treatment algorithm, and corresponding cases involving unstable pelvic ring injury.

  18. Entanglement and polyradical character of polycyclic aromatic hydrocarbons predicted by projected Hartree-Fock theory.

    Science.gov (United States)

    Rivero, Pablo; Jiménez-Hoyos, Carlos A; Scuseria, Gustavo E

    2013-10-24

    We study strong correlation effects in a series of fused benzene rings (acenes) of varying length and width using our recently developed projected Hartree-Fock (PHF) method. These molecules, commonly known as polycyclic aromatic hydrocarbons or nanographenes, are very challenging for electronic structure theory because of their strong multireference character. This challenge is here met by PHF at moderate computational cost optimizing a spin eigenfunction obtained by projection of an unrestricted Hartree-Fock (UHF) trial determinant. The resulting method, known as SUHF, predicts that polyradical behavior and orbital entanglement are enhanced with molecular size, especially in systems whose structural motifs are dominated by zigzag edges, like oligoacenes.

  19. Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.

    Science.gov (United States)

    McAtee, Christopher C; Riehl, Paul S; Schindler, Corinna S

    2017-03-01

    Polycyclic aromatic hydrocarbons are important structural motifs in organic chemistry, pharmaceutical chemistry, and materials science. The development of a new synthetic strategy toward these compounds is described based on the design principle of iron(III)-catalyzed carbonyl-olefin metathesis reactions. This approach is characterized by its operational simplicity, high functional group compatibility, and regioselectivity while relying on FeCl 3 as an environmentally benign, earth-abundant metal catalyst. Experimental evidence for oxetanes as reactive intermediates in the catalytic carbonyl-olefin ring-closing metathesis has been obtained.

  20. Coupling Reactions of α-Bromocarboxylate with Non-Aromatic N-Heterocycles

    Directory of Open Access Journals (Sweden)

    Jozef Csollei

    2009-08-01

    Full Text Available The conditions for the C-N bond forming reaction (C-N coupling reaction between α-bromocarboxylate and nitrogen-containing non-aromatic heterocyclic rings under heterogeneous copper(I oxide catalysis are investigated in this paper. All the generated compounds were fully characterized by IR, NMR and MS spectroscopy. Ab initio/DFT calculations of partial charges on nitrogen atoms in all the discussed heterocycles and on C(2 of carboxylate under applied conditions were predicted. These in silico results correlate relatively with the experimental observations.