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Sample records for intramolecular aldol condensation

  1. Inter- and intramolecular aldol reactions promiscuously catalyzed by a proline-based tautomerase.

    Science.gov (United States)

    Rahimi, Mehran; Geertsema, Edzard M; Miao, Yufeng; van der Meer, Jan-Ytzen; van den Bosch, Thea; de Haan, Pim; Zandvoort, Ellen; Poelarends, Gerrit J

    2017-03-28

    The enzyme 4-oxalocrotonate tautomerase (4-OT), which in nature catalyzes a tautomerization step as part of a catabolic pathway for aromatic hydrocarbons, was found to promiscuously catalyze different types of aldol reactions. These include the self-condensation of propanal, the cross-coupling of propanal and benzaldehyde, the cross-coupling of propanal and pyruvate, and the intramolecular cyclizations of hexanedial and heptanedial. Mutation of the catalytic amino-terminal proline (P1A) greatly reduces 4-OT's aldolase activities, whereas mutation of another active site residue (F50A) strongly enhances 4-OT's aldolase activities, indicating that aldolization is an active site process. This catalytic promiscuity of 4-OT could be exploited as starting point to create tailor-made, artificial aldolases for challenging self- and cross-aldolizations.

  2. A Green Enantioselective Aldol Condensation for the Undergraduate Organic Laboratory

    Science.gov (United States)

    Bennett, George D.

    2006-01-01

    A number of laboratory exercises for the organic chemistry curriculum that emphasize enantioselective synthesis of the aldol condensation which involves the proline-catalyzed condensation between acetone and isobutyraldehyde are explored. The experiment illustrates some of the trade-offs involved in green chemistry like the use of acetone in large…

  3. Aldol condensation of furfural and acetone on zeolites

    Czech Academy of Sciences Publication Activity Database

    Kikhtyanin, O.; Kelbichová, V.; Vitvarová, Dana; Kubů, Martin; Kubička, D.

    2014-01-01

    Roč. 227, MAY 2014 (2014), s. 154-162 ISSN 0920-5861 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : aldol condensation * oligomerization * zeolites Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.893, year: 2014

  4. Activated hydrotalcites as solid base catalysts in aldol condensations

    NARCIS (Netherlands)

    Roelofs, J.C.A.A.

    2001-01-01

    The development of new catalytic materials and routes to replace environmentally unacceptable processes in the fine chemical industry is emerging due to stringent legislation. Replacement of currently applied alkali bases in liquid-phase aldol condensations can result in diminishing of waste water

  5. Inter- and intramolecular aldol reactions promiscuously catalyzed by a proline-based tautomerase

    NARCIS (Netherlands)

    Rahimi, Mehran; Geertsema, Edzard M; Miao, Yufeng; van der Meer, Jan-Ytzen; Bosch, van den Thea; de Haan, Pim; Zandvoort, Ellen; Poelarends, Gerrit J

    2017-01-01

    The enzyme 4-oxalocrotonate tautomerase (4-OT), which in nature catalyzes a tautomerization step as part of a catabolic pathway for aromatic hydrocarbons, was found to promiscuously catalyze different types of aldol reactions. These include the self-condensation of propanal, the cross-coupling of

  6. Remarkable phosphine-effect on the intramolecular aldol reactions of unsaturated 1,5-diketones: highly regioselective synthesis of cross-conjugated dienones.

    Science.gov (United States)

    Thalji, Reema K; Roush, William R

    2005-12-07

    We report a phosphine-mediated intramolecular aldol cyclization of unsaturated diketones that proceeds with extremely high levels of regioselectivity for the cross-conjugated bicyclic dienone products. The sense of regioselectivity observed in this reaction is complementary to that obtained using traditional aldol conditions. Experimental evidence that supports the involvement of a phosphine Michael adduct is described.

  7. Molecular shape selectivity of hydrotalcite in mixed aldol condensations of aldehydes and ketones

    Czech Academy of Sciences Publication Activity Database

    Červený, J.; Šplíchalová, J.; Kačer, P.; Kovanda, F.; Kuzma, Marek; Červený, L.

    2008-01-01

    Roč. 285, 1-2 (2008), s. 150-154 ISSN 1381-1169 R&D Projects: GA ČR GA104/07/1239 Institutional research plan: CEZ:AV0Z50200510 Keywords : hydrocalcite * aldol condensation * molecular modeling Subject RIV: EE - Microbiology, Virology Impact factor: 2.814, year: 2008

  8. Operando Spectroscopy of the Gas-Phase Aldol Condensation of Propanal over Solid Base Catalysts

    NARCIS (Netherlands)

    Hernández-giménez, Ana M.; Ruiz-martínez, Javier; Puértolas, Begoña; Pérez-ramírez, Javier; Bruijnincx, Pieter C. A.; Weckhuysen, Bert M.

    2017-01-01

    The gas-phase aldol condensation of propanal, taken as model for the aldehyde components in bio-oils, has been studied with a combined operando set-up allowing to perform FT-IR & UV–Vis diffuse reflectance spectroscopy (DRS) with on-line mass spectrometry (MS). The selected solid base catalysts, a

  9. A green, inexpensive and efficient organocatalyzed procedure for aqueous aldol condensations

    Energy Technology Data Exchange (ETDEWEB)

    Abaee, M. Saeed; Mojtahedi, Mohammad M.; Forghani, Soudabeh; Sharifi, Roholah [Chemistry and Chemical Engineering Research Center of Iran, Tehran (Iran, Islamic Republic of). Faculty of Organic Chemistry and Natural Products; Ghandchi, Nafiseh M. [Islamic Azad University, Tehran (Iran, Islamic Republic of). Dept. of Chemistry; Forouzani, Mehdi; Chaharnazm, Behnam [Payam Noor University, Sari (Iran, Islamic Republic of)

    2009-07-01

    A facile and general procedure is presented for diethylamine-catalyzed double crossed aldol condensation of cyclic ketones with various aromatic aldehydes under aqueous conditions. Excellent yields of 3,5-bisarylmethylidenes of homocyclic and heterocyclic ketones are achieved in a one-pot procedure. Furthermore, the methodology is efficiently applied to the synthesis of chalcones from their corresponding methyl ketones. In the majority of the cases studied, products precipitate from the reaction mixtures and the medium is recycled in subsequent several reactions without significant loss of activity. (author)

  10. Boehmite-An Efficient and Recyclable Acid-Base Bifunctional Catalyst for Aldol Condensation Reaction.

    Science.gov (United States)

    Reshma, P C Rajan; Vikneshvaran, Sekar; Velmathi, Sivan

    2018-06-01

    In this work boehmite was used as an acid-base bifunctional catalyst for aldol condensation reactions of aromatic aldehydes and ketones. The catalyst was prepared by simple sol-gel method using Al(NO3)3·9H2O and NH4OH as precursors. The catalyst has been characterized by X-ray diffraction (XRD), Fourier Transform Infrared (FTIR), Scanning Electron Microscopy (SEM), UV-visible spectroscopy (DRS), BET surface area analyses. Boehmite is successfully applied as catalyst for the condensation reaction between 4-nitrobenzaldehyde and acetone as a model substrate giving α, β-unsaturated ketones without any side product. The scope of the reaction is extended for various substituted aldehydes. A probable mechanism has been suggested to explain the cooperative behavior of the acidic and basic sites. The catalyst is environmentally friendly and easily recovered from the reaction mixture. Also the catalyst is reusable up to 3 catalytic cycles.

  11. Toward understanding of the role of Lewis acidity in aldol condensation of acetone and furfural using MOF and zeolite catalysts

    Czech Academy of Sciences Publication Activity Database

    Kikhtyanin, O.; Kubička, D.; Čejka, Jiří

    2015-01-01

    Roč. 243, APR 2015 (2015), s. 158-162 ISSN 0920-5861 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : metal organic framework * aldol condensation * acidic catalysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.312, year: 2015

  12. An overview of dehydration, aldol-condensation and hydrogenation processes for production of liquid alkanes from biomass-derived carbohydrates

    Energy Technology Data Exchange (ETDEWEB)

    Chheda, Juben N.; Dumesic, James A. [University of Wisconsin-Madison, Department of Chemical and Biological Engineering, Madison, WI 53706 (United States)

    2007-05-30

    We present results for the conversion of carbohydrate feedstocks to liquid alkanes by the combination of dehydration, aldol-condensation/hydrogenation, and dehydration/hydrogenation processing. With respect to the first dehydration step, we demonstrate that HMF can be produced in good selectivity from abundantly available polysaccharides (such as inulin, sucrose) containing fructose monomer units using a biphasic batch reactor system. The reaction system can be optimized to achieve good yields to 5-hydroxymethylfurfural (HMF) from fructose by varying the contents of aqueous-phase modifiers such as dimethylsulfoxide (DMSO) and 1-methyl-2-pyrrolidinone (NMP). Regarding the aldol-condensation/hydrogenation step, we present the development of stable, solid base catalysts in aqueous environments. We address the effects of various reaction parameters such as the molar ratio of reactants and temperature on overall product yield for sequential aldol-condensation and hydrogenation steps. Overall, our results show that it is technically possible to convert carbohydrate feedstocks to produce liquid alkanes by the combination of dehydration, aldol-condensation/hydrogenation, and dehydration/hydrogenation processing; however, further optimization of these processes is required to decrease the overall number of separate steps (and reactors) required in this conversion. (author)

  13. Cu/MgAl(2)O(4) as bifunctional catalyst for aldol condensation of 5-hydroxymethylfurfural and selective transfer hydrogenation.

    Science.gov (United States)

    Pupovac, Kristina; Palkovits, Regina

    2013-11-01

    Copper supported on mesoporous magnesium aluminate has been prepared as noble-metal-free solid catalyst for aldol condensation of 5-hydroxymethylfurfural with acetone, followed by hydrogenation of the aldol condensation products. The investigated mesoporous spinels possess high activity as solid-base catalysts. Magnesium aluminate exhibits superior activity compared to zinc and cobalt-based aluminates, reaching full conversion and up to 81 % yield of the 1:1 aldol product. The high activity can be correlated to a higher concentration of basic surface sites on magnesium aluminate. Applying continuous regeneration, the catalysts can be recycled without loss of activity. Focusing on the subsequent hydrogenation of aldol condensation products, Cu/MgAl2 O4 allows a selective hydrogenation and CO bond cleavage, delivering 3-hydroxybutyl-5-methylfuran as the main product with up to 84 % selectivity avoiding ring saturation. Analysis of the hydrogenation activity reveals that the reaction proceeds in the following order: CC>CO>CO cleavage>ring hydrogenation. Comparable activity and selectivity can be also achieved utilizing 2-propanol as solvent in the transfer hydrogenation, providing the possibility for partial recycling of acetone and optimization of the hydrogen management. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Regioselective Synthesis of Procyanidin B6, A 4-6-Condensed (+-Catechin Dimer, by Intramolecular Condensation

    Directory of Open Access Journals (Sweden)

    Yusuke Higashino

    2018-01-01

    Full Text Available Proanthocyanidins, also known as condensed tannins or oligomeric flavonoids, are found in many edible plants and exhibit interesting biological activities. Herein, we report a new, simple method for the stereoselective synthesis of procyanidin B6, a (+-catechin-(4-6-(+-catechin dimer, by Lewis acid-catalyzed intramolecular condensation. The 5-O-t-butyldimethylsilyl (TBDMS group of 5,7,3′4′-tetra-O-TBDMS-(+-catechin was regioselectively removed using trifluoroacetic acid, leading to the “regio-controlled” synthesis of procyanidin B6. The 5-hydroxyl group of the 7,3′,4′-tri-O-TBDMS-(+-catechin nucleophile and the 3-hydroxyl group of 5,7,3′,4′-tetra-O-benzylated-(+-catechin electrophile were connected with an azelaic acid. The subsequent SnCl4-catalyzed intramolecular condensation proceeded smoothly to give the 4-6-condensed catechin dimer. This is the first report on the complete regioselective synthesis of a 4-6-connected oligomer without modifying the 8-position.

  15. Improvement of the stability of basic mixed oxides used as catalysts for aldol condensation of bio-derived compounds by palladium addition

    International Nuclear Information System (INIS)

    Faba, Laura; Díaz, Eva; Ordóñez, Salvador

    2013-01-01

    Aqueous-phase aldol condensation of biomass-derived ketones and aldehydes is a key step in the preparation of fuels and chemicals from renewable resources. Furfural–acetone aldol condensation yielding C 8 and C 13 adducts was studied at 323 K and 1 MPa in a stirred batch reactor. We propose a new strategy for minimizing catalytic deactivation, consisting of modifying catalysts (MgO–ZrO 2 and MgO–Al 2 O 3 ) by Pd addition (2%). This modification slightly changes the morphology and surface chemistry of the supports, leading to changes on the catalysts performance but not reaction mechanism modifications. If condensation is performed in hydrogen atmosphere, the partial hydrogenation of the condensation adducts increases its water solubility, minimizing catalyst deactivation. In that way, the selectivity for C13 adduct decreases only 25% between two successive reaction cycles using Pd/MgO–ZrO 2 catalyst, whereas this decrease is of 90% for the un-doped mixed oxides. These effects are less marked for the MgO–Al 2 O 3 catalyst. Highlights: •Furfural and acetone aldolization on Pd/MgO–ZrO 2 and Pd/MgO–Al 2 O 3 . •Conversion and selectivity towards C8 and C13 low and unstable catalysts. •Aldolization in H 2 decreases coke formation: higher reusability of the catalysts

  16. Aldol condensation of furfural with acetone over ion-exchanged and impregnated potassium BEA zeolites

    Czech Academy of Sciences Publication Activity Database

    Kikhtyanin, O.; Bulánek, R.; Frolich, K.; Čejka, Jiří; Kubička, D.

    2016-01-01

    Roč. 424, DEC 2016 (2016), s. 358-368 ISSN 1381-1169 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : activated hydrotalcites * carbon-monoxide * cyclic-ketones * Acetone * Furfural * Condensation * Potassium-BEA * Zeolite Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.211, year: 2016

  17. Hydroxyapatite catalyzed aldol condensation: Synthesis, spectral linearity, antimicrobial and insect antifeedant activities of some 2,5-dimethyl-3-furyl chalcones

    Science.gov (United States)

    Subramanian, M.; Vanangamudi, G.; Thirunarayanan, G.

    2013-06-01

    A series of 2,5-dimethyl-3-furyl chalcones [2E-1-(2,5-dimethyl-3-furyl)-3-(substituted phenyl)-2-propen-1-ones] have been synthesized by Hydrotalcite catalyzed aldol condensation between 3-acetyl-2,5-dimethylfuron and substituted benzaldehydes. Yields of chalcones are more than 80%. These chalcones were characterized by their physical constants and spectral data. The group frequencies of infrared ν(cm-1) of CO s-cis and s-trans, CH in-plane and out of plane, CHdbnd CH out of plane, lbond2 Cdbnd Crbond2 out of plane modes, NMR chemical shifts δ(ppm) of Hα, Hβ, CO, Cα and Cβ of these chalcones were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analyses. From the results of statistical analyses, the effects of substituents on the group frequencies are explained. Antibacterial, antifungal and insect antifeedant activities of these chalcones have been studied.

  18. Modified calcium oxide as stable solid base catalyst for Aldol ...

    Indian Academy of Sciences (India)

    A highly efficient and stable solid-base catalyst for Aldol condensation was prepared by modifying commercial CaO with benzyl bromide in a simple way. It was found that modified CaO can effectively catalyse the Aldol condensation of cyclohexanone and benzaldehyde, as well as various benzaldehydes, to produce ...

  19. Influence of the Organocatalyst in the Aldol/Mannich-Type Product Selectivities in C−C Bond Forming Reactions

    NARCIS (Netherlands)

    Dominguez de Maria, Pablo; Bracco, Paula; Castelhano, Luiz Fernando; Bargeman, Gerrald

    2011-01-01

    Several organocatalysts were tested in the cross condensation of isobutyraldehyde and acetone. Formation of aldol-type and Mannich-type (“aldol condensation”) products was assessed, and Aldol/Mannich proportion studied under several reaction conditions and at different conversions. Organocatalysts

  20. Condensers

    International Nuclear Information System (INIS)

    Andrieux, M.B.

    1984-01-01

    Characteristics of the condenser cooling waters of various French 900 MW nuclear power plants. Design and description of various types of condensers: condensers feeded directly with river water, condensers feeded by cooling towers, condensers feeded with sea water of brackish water. Presentation of the main problems encountered with the brass bundles (ammoniacal corrosion, erosion of the peripheral tubes, vibrations of the tubes), with the titanium bundles, with the tubular plates, the tubes-tubular plates assemblies, the coatings of the condenser water chamber (sea water), the vapor by-pass and with the air inlet. Analysis of the in service performances such as condensation pressure, oxygen content and availability [fr

  1. Unexpected Retroaldol-Aldol Reaction during O-Alkylation of Hydroxylated Vince Lactam Derivatives.

    Science.gov (United States)

    Bengtsson, Christoffer; Wetzel, Alexander; Bergman, Joakim; Brånalt, Jonas

    2016-01-15

    The unexpected retroaldol-aldol reaction during O-alkylation of a β-hydroxy lactam was found to be highly dependent on the temperature and shows a remarkable solvent effect. In DMF, O-alkylation is faster than retroaldol-aldol rearrangement giving exclusively products with retention of configuration. In THF, O-alkylation is slower than rearrangement, giving selectively products with inversion of stereochemistry. In DMSO, a retroaldol reaction followed by fast intramolecular proton transfer occurs to give the ring-opened aldehyde.

  2. Metal-catalyzed asymmetric aldol reactions

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Luiz C.; Lucca Junior, Emilio C. de; Ferreira, Marco A. B.; Polo, Ellen C., E-mail: ldias@iqm.unicamp.br [Universidade de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

    2012-12-15

    The aldol reaction is one of the most powerful and versatile methods for the construction of C-C bonds. Traditionally, this reaction was developed in a stoichiometric version; however, great efforts in the development of chiral catalysts for aldol reactions were performed in recent years. Thus, in this review article, the development of metal-mediated chiral catalysts in Mukaiyama-type aldol reaction, reductive aldol reaction and direct aldol reaction are discussed. Moreover, the application of these catalysts in the total synthesis of complex molecules is discussed. (author)

  3. Mukaiyama Aldol Reactions in Aqueous Media

    OpenAIRE

    Kitanosono, Taku; Kobayashi, Shū

    2013-01-01

    Mukaiyama aldol reactions in aqueous media have been surveyed. While the original Mukaiyama aldol reactions entailed stoichiometric use of Lewis acids in organic solvents under strictly anhydrous conditions, Mukaiyama aldol reactions in aqueous media are not only suitable for green sustainable chemistry but are found to produce singular phenomena. These findings led to the discovery of a series of water-compatible Lewis acids such as lanthanide triflates in 1991. Our understanding on these be...

  4. Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond. Dipak K. Palit Radaition & Photochemistry Division Bhabha Atomic Research Centre Mumbai 400 085, India.

  5. Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and α-Aminoxylation Reactions

    Science.gov (United States)

    Wheeler, Steven E.; Moran, Antonio; Pieniazek, Susan N.; Houk, K. N.

    2009-08-01

    Enthalpies for bond-forming reactions that are subject to organocatalysis have been predicted using the high-accuracy CBS-QB3 model chemistry and six DFT functionals. Reaction enthalpies were decomposed into contributions from changes in bonding and other intramolecular effects via the hierarchy of homodesmotic reactions. The order of the reaction exothermicities (aldol Mannich ≈ α-aminoxylation) arises primarily from changes in formal bond types mediated by contributions from secondary intramolecular interactions. In each of these reaction types, methyl substitution at the β- and γ-positions stabilizes the products relative to the unsubstituted case. The performance of six DFT functionals (B3LYP, B3PW91, B1B95, MPW1PW91, PBE1PBE, and M06-2X), MP2, and SCS-MP2 has been assessed for the prediction of these reaction enthalpies. Even though the PBE1PBE and M06-2X functionals perform well for the aldol and Mannich reactions, errors roughly double when these functionals are applied to the α-aminoxylation reactions. B3PW91 and B1B95, which offer modest accuracy for the aldol and Mannich reactions, yield reliable predictions for the two α-aminoxylation reactions. The excellent performance of the M06-2X and PBE1PBE functionals for aldol and Mannich reactions stems from the cancellation of sizable errors arising from inadequate descriptions of the underlying bond transformations and intramolecular interactions. SCS-MP2/cc-pVTZ performs most consistently across these three classes of reactions, although the reaction exothermicities are systematically underestimated by 1-3 kcal mol-1. Conventional MP2, when paired with the cc-pVTZ basis set, performs somewhat better than SCS-MP2 for some of these reactions, particularly the α-aminoxylations. Finally, the merits of benchmarking DFT functionals for the set of simple chemically meaningful transformations underlying all bond-forming reactions are discussed.

  6. Accurate reaction enthalpies and sources of error in DFT thermochemistry for aldol, Mannich, and alpha-aminoxylation reactions.

    Science.gov (United States)

    Wheeler, Steven E; Moran, Antonio; Pieniazek, Susan N; Houk, K N

    2009-09-24

    Enthalpies for bond-forming reactions that are subject to organocatalysis have been predicted using the high-accuracy CBS-QB3 model chemistry and six DFT functionals. Reaction enthalpies were decomposed into contributions from changes in bonding and other intramolecular effects via the hierarchy of homodesmotic reactions. The order of the reaction exothermicities (aldol Mannich approximately alpha-aminoxylation) arises primarily from changes in formal bond types mediated by contributions from secondary intramolecular interactions. In each of these reaction types, methyl substitution at the beta- and gamma-positions stabilizes the products relative to the unsubstituted case. The performance of six DFT functionals (B3LYP, B3PW91, B1B95, MPW1PW91, PBE1PBE, and M06-2X), MP2, and SCS-MP2 has been assessed for the prediction of these reaction enthalpies. Even though the PBE1PBE and M06-2X functionals perform well for the aldol and Mannich reactions, errors roughly double when these functionals are applied to the alpha-aminoxylation reactions. B3PW91 and B1B95, which offer modest accuracy for the aldol and Mannich reactions, yield reliable predictions for the two alpha-aminoxylation reactions. The excellent performance of the M06-2X and PBE1PBE functionals for aldol and Mannich reactions stems from the cancellation of sizable errors arising from inadequate descriptions of the underlying bond transformations and intramolecular interactions. SCS-MP2/cc-pVTZ performs most consistently across these three classes of reactions, although the reaction exothermicities are systematically underestimated by 1-3 kcal mol(-1). Conventional MP2, when paired with the cc-pVTZ basis set, performs somewhat better than SCS-MP2 for some of these reactions, particularly the alpha-aminoxylations. Finally, the merits of benchmarking DFT functionals for the set of simple chemically meaningful transformations underlying all bond-forming reactions are discussed.

  7. alpha-Methoxymethyl ketones via aldol reaction

    Czech Academy of Sciences Publication Activity Database

    Kasal, Alexander; Buděšínský, Miloš

    2013-01-01

    Roč. 69, č. 46 (2013), s. 9663-9674 ISSN 0040-4020 R&D Projects: GA TA ČR(CZ) TE01020028 Institutional support: RVO:61388963 Keywords : NMR * steroids * synthesis * aldol reaction Subject RIV: CC - Organic Chemistry Impact factor: 2.817, year: 2013

  8. Acid-Base Pairs in Lewis Acidic Zeolites Promote Direct Aldol Reactions by Soft Enolization.

    Science.gov (United States)

    Lewis, Jennifer D; Van de Vyver, Stijn; Román-Leshkov, Yuriy

    2015-08-17

    Hf-, Sn-, and Zr-Beta zeolites catalyze the cross-aldol condensation of aromatic aldehydes with acetone under mild reaction conditions with near quantitative yields. NMR studies with isotopically labeled molecules confirm that acid-base pairs in the Si-O-M framework ensemble promote soft enolization through α-proton abstraction. The Lewis acidic zeolites maintain activity in the presence of water and, unlike traditional base catalysts, in acidic solutions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond · PowerPoint Presentation · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19.

  10. Intramolecular and nonlinear dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Davis, M.J. [Argonne National Laboratory, IL (United States)

    1993-12-01

    Research in this program focuses on three interconnected areas. The first involves the study of intramolecular dynamics, particularly of highly excited systems. The second area involves the use of nonlinear dynamics as a tool for the study of molecular dynamics and complex kinetics. The third area is the study of the classical/quantum correspondence for highly excited systems, particularly systems exhibiting classical chaos.

  11. Investigating Ionic Effects Applied to Water Based Organocatalysed Aldol Reactions

    Directory of Open Access Journals (Sweden)

    Joshua P. Delaney

    2011-12-01

    Full Text Available Saturated aqueous solutions of various common salts were examined for their effect on aqueous aldol reactions catalysted by a highly active C2-symmetric diprolinamide organocatalyst developed in our laboratory. With respect to the aldol reaction between cyclohexanone and 4-nitrobenzaldehyde, deionised water was always a superior medium to salt solutions though some correlation to increasing anion size and depression in enantiomeric excess could be observed. Additionally, the complete inhibition of catalyst activity observed when employing tap water could be alleviated by the inclusion of ethylenediaminetetraacetate (EDTA into the aqueous media prior to reaction initiation. Extension of these reaction conditions demonstrated that these ionic effects vary on a case-to-case basis depending on the ketone/aldehyde combination.

  12. Ultrafast Dynamics of Chemical Reactions in Condensed Phase ...

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond. Dipak K. Palit Radaition & Photochemistry Division Bhabha Atomic Research Centre Mumbai 400 085, India.

  13. Peculiar behavior of MWW materials in aldol condensation of furfural and acetone

    Czech Academy of Sciences Publication Activity Database

    Kikhtyanin, O.; Eliášová, Pavla; Jindrová, T.; Kubička, D.

    2014-01-01

    Roč. 43, č. 27 (2014), s. 10628-10641 ISSN 1477-9226 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : acetone * aldehydes * batch reactors Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.197, year: 2014

  14. Water Condensation

    DEFF Research Database (Denmark)

    Jensen, Kasper Risgaard; Fojan, Peter; Jensen, Rasmus Lund

    2014-01-01

    The condensation of water is a phenomenon occurring in multiple situations in everyday life, e.g., when fog is formed or when dew forms on the grass or on windows. This means that this phenomenon plays an important role within the different fields of science including meteorology, building physics......, and chemistry. In this review we address condensation models and simulations with the main focus on heterogeneous condensation of water. The condensation process is, at first, described from a thermodynamic viewpoint where the nucleation step is described by the classical nucleation theory. Further, we address...

  15. Journal of Chemical Sciences | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    An efficient synthesis of (-)-wodeshiol 1 is described. The key reactions include highly stereoselective aldol condensation of piperonal with the dianion of chiral oxazolidinone, subsequent intramolecular ring cyclization of the aldol product 8 and a diastereocontrolled oxygenation of dilactone 7 in good yield.

  16. Steam condenser

    International Nuclear Information System (INIS)

    Masuda, Fujio

    1980-01-01

    Purpose: To enable safe steam condensation by providing steam condensation blades at the end of a pipe. Constitution: When high temperature high pressure steam flows into a vent pipe having an opening under water in a pool or an exhaust pipe or the like for a main steam eacape safety valve, non-condensable gas filled beforehand in the steam exhaust pipe is compressed, and discharged into the water in the pool. The non-condensable gas thus discharged from the steam exhaust pipe is introduced into the interior of the hollow steam condensing blades, is then suitably expanded, and thereafter exhausted from a number of exhaust holes into the water in the pool. In this manner, the non-condensable gas thus discharged is not directly introduced into the water in the pool, but is suitable expanded in the space of the steam condensing blades to suppress extreme over-compression and over-expansion of the gas so as to prevent unstable pressure vibration. (Yoshihara, H.)

  17. Catalytic asymmetric synthesis of acyclic arrays by tandem 1,4-addition-aldol reactions

    NARCIS (Netherlands)

    Howell, Gareth P.; Fletcher, Stephen P.; Geurts, Koen; ter Horst, Bjorn; Feringa, Ben L.

    2006-01-01

    Herein, we report efficient acyclic stereocontrol in tandem 1,4-addition-aldol reactions triggered by catalytic asymmetric organometallic addition. Grignard reagents add to alpha,beta-unsaturated thioesters in a 1,4-fashion and the resulting magnesium enolatesare trapped with aromatic or aliphatic

  18. Asymmetric Aldol Additions: A Guided-Inquiry Laboratory Activity on Catalysis

    Science.gov (United States)

    King, Jorge H. Torres; Wang, Hong; Yezierski, Ellen J.

    2018-01-01

    Despite the importance of asymmetric catalysis in both the pharmaceutical and commodity chemicals industries, asymmetric catalysis is under-represented in undergraduate chemistry laboratory curricula. A novel guided-inquiry experiment based on the asymmetric aldol addition was developed. Students conduct lab work to compare the effectiveness of…

  19. Highly diastereoselective preparation of aldol products using new functionalized allylic aluminum reagents.

    Science.gov (United States)

    Shen, Zhi-Liang; Peng, Zhihua; Yang, Chun-Ming; Helberg, Julian; Mayer, Peter; Marek, Ilan; Knochel, Paul

    2014-02-07

    Chloro-substituted triethylsilyl enol ethers derived from cyclohexanone and related ketones are converted with aluminum powder in the presence of indium trichloride to functionalized allylic aluminum reagents which represent a new type of synthetic equivalent of metal enolates. These allylic organometallics undergo highly diastereoselective additions to aldehydes and methyl aryl ketones, giving aldol products with a β-quaternary center.

  20. Catalyst-free aldol reaction of N-substituted rhodanines on aqueous ...

    Indian Academy of Sciences (India)

    N S DEVI

    2018-02-07

    Feb 7, 2018 ... Abstract. Rhodanine derivatives are highly valuable heterocycles in drug discovery. Here, we developed aldol reaction of N-substituted rhodanines and aromatic aldehydes on water. The reaction was performed at room temperature affording the products in good to high yield. This synthetic protocol uses ...

  1. Aggregation and Cooperative Effects in the Aldol Reactions of Lithium Enolates

    NARCIS (Netherlands)

    Larrañaga, O.; de Cózar, A.; Bickelhaupt, F.M.; Zangi, R.; Cossío, F.P.

    2013-01-01

    Density functional theory and Car-Parrinello molecular dynamics simulations have been carried out for model aldol reactions involving aggregates of lithium enolates derived from acetaldehyde and acetone. Formaldehyde and acetone have been used as electrophiles. It is found that the geometries of the

  2. Catalyst-free aldol reaction of N-substituted rhodanines on aqueous ...

    Indian Academy of Sciences (India)

    hp

    Catalyst-free aldol reaction of N-substituted rhodanines on aqueous media. N S DEVI and NIRADA DEVI*. Department of Chemistry, Cotton University, Guwahati, Assam 781 001, India. *Email: niradadevicu@gmail.com. List of Contents. 1. Data of all compounds. S2 – S5. 2. Spectra of selected compounds. S6 – S25 ...

  3. Heterogeneously Catalysed Aldol Reactions in Supercritical Carbon Dioxide as Innovative and Non-Flammable Reaction Medium

    DEFF Research Database (Denmark)

    Musko, Nikolai; Grunwaldt, Jan-Dierk

    2011-01-01

    hydrogenation of 2-butenal and is therefore a potential catalyst for the “one-pot” synthesis of 2-ethyl-2-hexenal and 2-ethylhexanal via combined hydrogenation and aldol reaction from 2-butenal. A number of characterisation techniques, such as temperature-programmed desorption of ammonia (NH3-TPD), transmission...

  4. RUTHENIUM-CATALYZED TANDEM OLEFIN MIGRATION-ALDOL AND MANNICH-TYPE REACTIONS IN IONIC LIQUID.

    Science.gov (United States)

    In the presence of a catalytic amount of RuCl2(PPh3)3, a cross-coupling of 3-buten-2-ol with aldehydes and imines was developed via a tandem olefin migration--aldol--Mannich reaction in bmim[PF6]. With In(OAc)3 as a co-catalyst, a-vinylbenzyl alcohol and aldehydes underwent sim...

  5. ALDOL- AND MANNICH-TYPE REACTIONS VIA IN SITU OLEFIN MIGRATION IN IONIC LIQUID

    Science.gov (United States)

    An aldol-type and a Mannich-type reaction via the cross-coupling of aldehydes and imines with allylic alcohols catalyzed by RuCl2(PPh3)3 was developed with ionic liquid as the solvent. The solvent/catalyst system could be reused for at least five times with no loss of reactiv...

  6. Symmetry of intramolecular quantum dynamics

    CERN Document Server

    Burenin, Alexander V

    2012-01-01

    The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry.

  7. Asymmetric Michael-aldol tandem reaction of 2-substituted benzofuran-3-ones and enones: a facile synthesis of griseofulvin analogues.

    Science.gov (United States)

    Dong, Nan; Li, Xin; Wang, Feng; Cheng, Jin-Pei

    2013-09-20

    A highly enantioselective Michael-aldol tandem reaction with respect to prochiral 2-substituted benzofuran-3-ones and enones by a facile primary amine catalyst was investigated. The approach provides rapid access to the desired pharmaceutically active griseofulvin analogues.

  8. Cooperative Effects Between Arginine and Glutamic Acid in the Amino Acid-Catalyzed Aldol Reaction.

    Science.gov (United States)

    Valero, Guillem; Moyano, Albert

    2016-08-01

    Catalysis of the aldol reaction between cyclohexanone and 4-nitrobenzaldehyde by mixtures of L-Arg and of L-Glu in wet dimethyl sulfoxide (DMSO) takes place with higher enantioselectivity (up to a 7-fold enhancement in the anti-aldol for the 1:1 mixture) than that observed when either L-Glu or L-Arg alone are used as the catalysts. These results can be explained by the formation of a catalytically active hydrogen-bonded complex between both amino acids, and demonstrate the possibility of positive cooperative effects in catalysis by two different α-amino acids. Chirality 28:599-605, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  9. Synthesis of non-racemic α-hydroxyphosphonates via asymmetric phospho-aldol reaction.

    Science.gov (United States)

    Spilling, Christopher D; Malla, Raj K

    2015-01-01

    It has been more than 50 years since the first phospho-aldol reactions of dialkyl phosphites were reported. These efficient P-C bond-forming reactions have become the cornerstone of methods for the synthesis of α-hydroxyphosphonates and, by numerous available substitution reactions, the synthesis of other α- and γ-substituted phosphonates and phosphonic acids. Much of the interest in α- and γ-substituted phosphonates and phosphonic acids has been stimulated by reports of their biological activity, which is often dependent upon their absolute and relative stereochemistry. In this chapter, we review diastereoselective and enantioselective additions of dialkyl phosphites to aldehydes and ketones, otherwise called the phospho-aldol, Pudovik or Abramov reactions.

  10. Cooperative organocatalysis of Mukaiyama-type aldol reactions by thioureas and nitro compounds

    KAUST Repository

    Bukhriakov, Konstantin

    2016-05-16

    A unique organocatalytic system for Mukaiyama-type aldol reactions based on the cooperative action of nitro compounds and thioureas has been identified. This system is compatible with a wide range of substrates and does not require low temperatures, inert atmospheres, or an aqueous workup. A catalytic mechanism based on nitro group-mediated silyl cation transfer has been proposed. © The Royal Society of Chemistry 2016.

  11. Catalytic enantioselective N-nitroso aldol reaction of γ,δ-unsaturated δ-lactones.

    Science.gov (United States)

    Yanagisawa, Akira; Fujinami, Takeo; Oyokawa, Yu; Sugita, Takuya; Yoshida, Kazuhiro

    2012-05-18

    A catalytic asymmetric N-nitroso aldol reaction of γ,δ-didehydro-δ-lactones with nitrosoarenes was achieved using chiral tin dibromide as the chiral precatalyst and sodium ethoxide as the base precatalyst in the presence of ethanol. Optically active α-hydroxyamino ketones with up to 99% ee were regioselectively obtained in moderate to high yields from various δ-aryl-substituted γ,δ-didehydro-δ-valerolactones and o-substituted nitrosoarenes.

  12. Emergency condensator

    International Nuclear Information System (INIS)

    Hamazaki, Ryoichi.

    1992-01-01

    The condensator of the present invention has a condensate return pipe for returning condensates formed by concentration of steams in a bundle of heat transfer tubes. A flow rate control valve is disposed to the return pipe, and the opening degree of the control valve is controlled by a valve opening degree control device which receives a reactor pressure signal under control. The valve opening degree control device outputs a control signal of 0% valve opening degree when reactor pressure is lower than the lowermost control value and outputs control signal of 100% value opening degree if it is greater than the uppermost control value. On the other hand, when it is between the lowermost value and the uppermost value, it outputs a control signal for demanding an opening degree in proportion to the difference between the reactor pressure and the lowermost control value. Since it is thus controlled, even if steams and condensaes are circulated as they are by natural convection, there is no worry that reactor pressure lowers excessively and no operator's manual handling is necessary. (T.M.)

  13. Intramolecular Association within the SAFT Framework

    DEFF Research Database (Denmark)

    Avlund, Ane Søgaard; Kontogeorgis, Georgios; Chapman, Walter G.

    2011-01-01

    the contribution to the Helmholtz free energy from association (inter- as well as intramolecularly) at equilibrium. Sear and Jackson rederived the contribution to the Helmholtz free energy from association from the theory by Wertheim [J. Stat. Phys. 42 (3–4), 459 (1986)] with inclusion of intramolecular...... association, and using this approach we obtain an expression for the Helmholtz free energy that is valid also at non-equilibrium states (with respect to hydrogen bonds), which is very useful when calculating derivatives.......A general theory for modelling intramolecular association within the SAFT framework is proposed. Sear and Jackson [Phys. Rev. E. 50 (1), 386 (1994)] and Ghonasgi and Chapman [J. Chem. Phys. 102 (6), 2585 (1995)] have previously extended SAFT to include intramolecular association for chains with two...

  14. Halogeno Aldol Reaction of Ethyl Vinyl Ketone and Aldehydes Mediated by Titanium Tetrachloride

    Directory of Open Access Journals (Sweden)

    Guigen Li

    2000-12-01

    Full Text Available A three-component halogeno aldol reaction has been developed by using titanium tetrachloride as the halogen source as well as the Lewis acid mediator. The dehydration and elimination of hydrogen chloride were inhibited by conducting the reaction at 0 °C in dichloromethane or at room temperature with a shortened reaction time. Seven examples were examined, giving good to high yields (61 - 92% and modest stereoselectivity (syn/anti: 2.2/1.0 - 8.4/1.0.

  15. Stereocontrolled synthesis of syn-β-Hydroxy-α-amino acids by direct aldolization of pseudoephenamine glycinamide.

    Science.gov (United States)

    Seiple, Ian B; Mercer, Jaron A M; Sussman, Robin J; Zhang, Ziyang; Myers, Andrew G

    2014-04-25

    β-Hydroxy-α-amino acids figure prominently as chiral building blocks in chemical synthesis and serve as precursors to numerous important medicines. Reported herein is a method for the synthesis of β-hydroxy-α-amino acid derivatives by aldolization of pseudoephenamine glycinamide, which can be prepared from pseudoephenamine in a one-flask protocol. Enolization of (R,R)- or (S,S)-pseudoephenamine glycinamide with lithium hexamethyldisilazide in the presence of LiCl followed by addition of an aldehyde or ketone substrate affords aldol addition products that are stereochemically homologous with L- or D-threonine, respectively. These products, which are typically solids, can be obtained in stereoisomerically pure form in yields of 55-98 %, and are readily transformed into β-hydroxy-α-amino acids by mild hydrolysis or into 2-amino-1,3-diols by reduction with sodium borohydride. This new chemistry greatly facilitates the construction of novel antibiotics of several different classes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Lewis base activation of Lewis acids: catalytic, enantioselective vinylogous aldol addition reactions.

    Science.gov (United States)

    Denmark, Scott E; Heemstra, John R

    2007-07-20

    The generality of Lewis base catalyzed, Lewis acid mediated, enantioselective vinylogous aldol addition reactions has been investigated. The combination of silicon tetrachloride and chiral phosphoramides is a competent catalyst for highly selective additions of a variety of alpha,beta-unsaturated ketone-, 1,3-diketone-, and alpha,beta-unsaturated amide-derived dienolates to aldehydes. These reactions provided high levels of gamma-site selectivity for a variety of substitution patterns on the dienyl unit. Both ketone- and morpholine amide-derived dienol ethers afforded high enantio- and diastereoselectivity in the addition to conjugated aldehydes. Although alpha,beta-unsaturated ketone-derived dienolate did not react with aliphatic aldehydes, alpha,beta-unsaturated amide-derived dienolates underwent addition at reasonable rates affording high yields of vinylogous aldol product. The enantioselectivities achieved with the morpholine derived-dienolate in the addition to aliphatic aldehydes was the highest afforded to date with the silicon tetrachloride-chiral phosphoramide system. Furthermore, the ability to cleanly convert the morpholine amide to a methyl ketone was demonstrated.

  17. Structural, intramolecular hydrogen bonding and vibrational studies ...

    Indian Academy of Sciences (India)

    The harmonic oscillator model of aromaticity (HOMA) index elucidated the impact of hydrogen bond- ing in the ring. Intramolecular hydrogen bonding energy has been calculated from topological study. The low wavenumber vibrational modes obtained from experimental FT-Raman spectrum also supported the presence.

  18. Solvent control of intramolecular proton transfer

    DEFF Research Database (Denmark)

    Manolova, Y.; Marciniak, Heinz; Tschierlei, S.

    2017-01-01

    of molecules in the enol and zwitterionic proton transfer (PT) form exists in the ground state. However, the zwitterion is the energetically favored one in the electronically excited state. Optical excitation of the enol form results in intramolecular proton transfer and formation of the PT form within 1.4 ps...

  19. Structural, intramolecular hydrogen bonding and vibrational studies ...

    Indian Academy of Sciences (India)

    An extensive theoretical study on the molecular structure and vibrational analysis of 3-amino-4- methoxy benzamide (3A4MBA) was undertaken using density functional theoretical (DFT) method. The possibility of formation of intramolecular hydrogen bonding was identified from structural parameter analysis and confirmed ...

  20. Structural, intramolecular hydrogen bonding and vibrational studies

    Indian Academy of Sciences (India)

    An extensive theoretical study on the molecular structure and vibrational analysis of 3-amino-4- methoxy benzamide (3A4MBA) was undertaken using density functional theoretical (DFT) method. The possibility of formation of intramolecular hydrogen bonding was identified from structural parameter analysis and confirmed ...

  1. 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

  2. Structural, intramolecular hydrogen bonding and vibrational studies ...

    Indian Academy of Sciences (India)

    The harmonic oscillator model of aromaticity (HOMA) index elucidated the impact of hydrogen bond- ing in the ring. Intramolecular hydrogen ... (Figure 3). The total ener- gies obtained for these possible conformers are listed in Table 1. ..... Structure, Reactivity and Intermolecular Forces: An. Euristic Interpretation by Means of ...

  3. Ultrafast Dynamics of Chemical Reactions in Condensed Phase ...

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond · PowerPoint Presentation · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19.

  4. Dropwise condensation originating

    International Nuclear Information System (INIS)

    Croix, J.-M.

    1975-01-01

    Both principal modes of steam condensation (film or dropwise condensation) are surveyed. Available results are exposed as for contact angle measurements, and the heat transfer mechanisms proposed. The efficiency of the dropwise condensation mode is illustrated from the excellent results obtained in the laboratory by J.M. NIEZBORALA, using an organic compound (fluorinated disulfide) for originating the condensation [fr

  5. Asymmetric assembly of aldose carbohydrates from formaldehyde and glycolaldehyde by tandem biocatalytic aldol reactions

    Science.gov (United States)

    Szekrenyi, Anna; Garrabou, Xavier; Parella, Teodor; Joglar, Jesús; Bujons, Jordi; Clapés, Pere

    2015-09-01

    The preparation of multifunctional chiral molecules can be greatly simplified by adopting a route via the sequential catalytic assembly of achiral building blocks. The catalytic aldol assembly of prebiotic compounds into stereodefined pentoses and hexoses is an as yet unmet challenge. Such a process would be of remarkable synthetic utility and highly significant with regard to the origin of life. Pursuing an expedient enzymatic approach, here we use engineered D-fructose-6-phosphate aldolase from Escherichia coli to prepare a series of three- to six-carbon aldoses by sequential one-pot additions of glycolaldehyde. Notably, the pertinent selection of the aldolase variant provides control of the sugar size. The stereochemical outcome of the addition was also altered to allow the synthesis of L-glucose and related derivatives. Such engineered biocatalysts may offer new routes for the straightforward synthesis of natural molecules and their analogues that circumvent the intricate enzymatic pathways forged by evolution.

  6. Multicomponent, Enantioselective Michael-Michael-Aldol-β-Lactonizations Delivering Complex β-Lactones.

    Science.gov (United States)

    Van, Khoi N; Romo, Daniel

    2018-01-19

    Optically active, tertiary amine Lewis bases react with unsaturated acid chlorides to deliver chiral, α,β-unsaturated acylammonium salts. These intermediates participate in a catalytic, enantioselective, three-component process delivering bi- and tricyclic β-lactones through a Michael-Michael-aldol-β-lactonization. In a single operation, the described multicomponent, organocascade process forms complex bi- and tricyclic β-lactones by generating four new bonds, two rings, and up to four contiguous stereocenters. In the racemic series, yields of 22-75% were achieved using 4-pyrrolidinopyridine as Lewis base. In the enantioselective series employing isothiourea catalysts, a kinetic resolution of the initially formed racemic Michael adduct appears operative, providing yields of 46% to quantitative (based on 50% max) with up to 94:6 er. Some evidence for a dynamic kinetic asymmetric transformation for tricyclic-β-lactone 1d was obtained following optimization (yields up to 61%, 94:6 er) through a presumed reversible Michael.

  7. Intramolecular and Transannular Diels-Alder Reactions

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Ascic, Erhad

    2014-01-01

    Few reactions can compete with the Diels-Alder (DA) [4+2] cycloaddition for the rapid and efficient generation of molecular complexity. The DA reaction is atom-economic and stereospecific, as well as diastereo- and regioselective. The intramolecular version (IMDA) of the DA cycloaddition and its...... and dienophile, methods for acceleration of IMDA reactions (such as use of high pressure) and catalysis (using oxophilic or carbophilic metal complexes, Brønsted acids, and enzymes). The use of furans as diene components (IMDAF), intramolecular hetero-DA (IMHDA) and IMDA reactions with inverse electron demand...... are also covered. Applications of IMDA to asymmetric synthesis (from substrate control through to enantioselective catalysis, including organocatalysis) are presented, along with tandem sequences involving IMDA cycloaddition. A theme pervading the whole chapter is the use of IMDA reactions for the total...

  8. Intramolecular Energy Relaxation and Statistical Rate Theory

    OpenAIRE

    Okitsugu, KAJIMOTO; Department of Chemistry, Kyoto University

    1994-01-01

    Statistical rate theory is essentially based on the state counting without any restrictions other than the energy and the angular momentum conservation. In this work, two kinds of restrictions are introduced into the statistical theory. The first restriction is related to the intramolecular energy flow within the reacting molecular system. The excess energy of reaction is made distributed with some bias favoring a specific degree of freedom. That is, the statistical weight of each product sta...

  9. Condensate treatment system

    International Nuclear Information System (INIS)

    Masumitsu, Isao; Ito, Tomoaki; Kajio, Shozo; Takayama, Toshio; Ishikawa, Yasuyuki

    1992-01-01

    Condensate treatment system is installed for purifying condensate in thermal and nuclear power stations. Once-through boilers appeared, and in order to maintain the high purity water quality of condensate, condensate desalting facilities were installed in 1962 in Japan. There are the single type using condensate desalting facility only and the combined type of condensate prefilter and condensate desalting facility. The purpose of installing condensate treatment system is to remove corrosion products and ion components generated from the structural materials of plants and to remove sea water composition if it leaks. The general steam-condensate system in thermal power plants is explained. A standard JIS B 8223 'Quality of feedwater and boiler water for boilers' is instituted. The water treatment for boilers is carried out by the treatment of makeup feed, chemical treatment in boilers and blow. In the case of once-through boilers, blow cannot be done, accordingly, very high purity water is required. Condensate prefilter, condensate desalting facility, the watching of condensate treatment system and the operation in combined water treatment are reported. Also the condensate prefilters and the condensate desalting facilities for BWR and PWR plants are described. (K.I.)

  10. N-Heterocyclic Carbene-Catalyzed Vinylogous Mukaiyama Aldol Reaction of α-Keto Esters and α-Trifluoromethyl Ketones

    KAUST Repository

    Du, Guang-Fen

    2015-11-05

    © Georg Thieme Verlag Stuttgart · New York · Synthesis 2016. N-Heterocyclic carbene (NHC)-catalyzed vinylogous Mukaiyama aldol reaction of ketones was developed. Under the catalysis of 5 mol% NHC, α-keto esters and α-trifluoromethyl ketones reacted with 2-(trimethysilyloxy)furan efficiently to produce γ-substituted butenolides containing adjacent quaternary and tertiary carbon centers in high yields with good diastereoselectivities.

  11. Engineering the donor selectivity of D-fructose-6-phosphate aldolase for biocatalytic asymmetric cross-aldol additions of glycolaldehyde.

    Science.gov (United States)

    Szekrenyi, Anna; Soler, Anna; Garrabou, Xavier; Guérard-Hélaine, Christine; Parella, Teodor; Joglar, Jesús; Lemaire, Marielle; Bujons, Jordi; Clapés, Pere

    2014-09-22

    D-Fructose-6-phosphate aldolase (FSA) is a unique catalyst for asymmetric cross-aldol additions of glycolaldehyde. A combination of a structure-guided approach of saturation mutagenesis, site-directed mutagenesis, and computational modeling was applied to construct a set of FSA variants that improved the catalytic efficiency towards glycolaldehyde dimerization up to 1800-fold. A combination of mutations in positions L107, A129, and A165 provided a toolbox of FSA variants that expand the synthetic possibilities towards the preparation of aldose-like carbohydrate compounds. The new FSA variants were applied as highly efficient catalysts for cross-aldol additions of glycolaldehyde to N-carbobenzyloxyaminoaldehydes to furnish between 80-98 % aldol adduct under optimized reaction conditions. Donor competition experiments showed high selectivity for glycolaldehyde relative to dihydroxyacetone or hydroxyacetone. These results demonstrate the exceptional malleability of the active site in FSA, which can be remodeled to accept a wide spectrum of donor and acceptor substrates with high efficiency and selectivity. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Characterization and mechanism insight of accelerated catalytic promiscuity of Sulfolobus tokodaii (ST0779) peptidase for aldol addition reaction.

    Science.gov (United States)

    Li, Rong; Perez, Bianca; Jian, Hui; Jensen, Mads Mørk; Gao, Renjun; Dong, Mingdong; Glasius, Marianne; Guo, Zheng

    2015-11-01

    A novel peptidase from thermophilic archaea Sulfolobus tokodaii (ST0779) is examined for its catalytic promiscuity of aldol addition, which shows comparable activity as porcine pancreatic lipase (PPL, one of the best enzymes identified for biocatalytic aldol addition) at 30 °C but much accelerated activity at elevated temperature. The molecular catalytic efficiency kcat/Km (M(-1) s(-1)) of this thermostable enzyme at 55 °C adds up to 140 times higher than that of PPL at its optimum temperature 37 °C. The fluorescence quenching analysis depicts that the binding constants of PPL are significantly higher than those of ST0779, and their numbers of binding sites show opposite temperature dependency. Thermodynamic parameters estimated by fluorescence quenching analysis unveil distinctly different substrate-binding modes between PPL and ST0779: the governing binding interaction between PPL and substrates is hydrophobic force, while the dominating substrate-binding forces for ST0779 are van der Waals and H-bonds interactions. A reasonable mechanism for ST0779-catalyzed aldol reaction is proposed based on kinetic study, spectroscopic analysis, and molecular stereostructure simulation. This work represents a successful example to identify a new enzyme for catalytic promiscuity, which demonstrates a huge potential to discover and exploit novel biocatalyst from thermophile microorganism sources.

  13. Aldol Reactions of Axially Chiral 5-Methyl-2-(o-arylimino-3-(o-aryl-thiazolidine-4-ones

    Directory of Open Access Journals (Sweden)

    Sule Erol Gunal

    2016-06-01

    Full Text Available Axially chiral 5-methyl-2-(o-arylimino-3-(o-aryl-thiazolidine-4-ones have been subjected to aldol reactions with benzaldehyde to produce secondary carbinols which have been found to be separable by HPLC on a chiral stationary phase. Based on the reaction done on a single enantiomer resolved via a chromatographic separation from a racemic mixture of 5-methyl-2-(α-naphthylimino-3-(α-naphthyl-thiazolidine-4-one by HPLC on a chiral stationary phase, the aldol reaction was shown to proceed via an enolate intermediate. The axially chiral enolate of the thiazolidine-4-one was found to shield one face of the heterocyclic ring rendering face selectivity with respect to the enolate. The selectivities observed at C-5 of the ring varied from none to 11.5:1 depending on the size of the ortho substituent. Although the aldol reaction proceeded with a lack of face selectivity with respect to benzaldehyde, recrystallization returned highly diastereomerically enriched products.

  14. Intramolecular Barbier reaction in water: cyclopentane and cyclohexane ring closure

    Directory of Open Access Journals (Sweden)

    RADOMIR N. SAICIC

    2002-03-01

    Full Text Available Zinc or indium promoted intramolecular Barbier reactions of aldehydes containing a suitably positioned allylic or propargylic halide unit afford unsaturated cyclic alcohols in moderate yields.

  15. Excited state Intramolecular Proton Transfer in Anthralin

    DEFF Research Database (Denmark)

    Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens

    1998-01-01

    Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results...... in an unusually large fluorescence Stokes shift of 10500 cm−1. The emission appears as a broad band with a maximum at 17500 cm−1 and is characterized by a low and nearly temperature-independent quantum yield. The results are interpreted as an indication of a large equilibrium geometry change upon excitation...

  16. Femtosecond laser studies of ultrafast intramolecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Hayden, C. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this research is to better understand the detailed mechanisms of chemical reactions by observing, directly in time, the dynamics of fundamental chemical processes. In this work femtosecond laser pulses are used to initiate chemical processes and follow the progress of these processes in time. The authors are currently studying ultrafast internal conversion and subsequent intramolecular relaxation in unsaturated hydrocarbons. In addition, the authors are developing nonlinear optical techniques to prepare and monitor the time evolution of specific vibrational motions in ground electronic state molecules.

  17. Intramolecular energy transfer reactions in polymetallic

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, J.

    1990-11-01

    This report is concerned with intramolecular, energy-transfer reactions. The concept of preparing synthetically a complex molecular species, capable of absorbing a photon at one metal center (antenna fragment), transferring that energy to a second metal center (reactive fragment) via a bridging ligand was first reported by our group in 1979. It is now apparent that a major emphasis in inorganic chemistry in the future will involve these types of molecular ensembles. Complexes discussed include Rh, Ru, and Cu complexes. 23 refs., 14 tabs.

  18. Condensation in insulated homes

    Energy Technology Data Exchange (ETDEWEB)

    Wiley, R A

    1978-05-28

    A research proposal on condensation in insulated homes is presented. Information is provided on: justification for condensation control; previous work and present outlook (good vapor barrier, condensation and retrofit insulation, vapor barrier decreases condensation, brick-veneer walls, condensation in stress-skin panels, air-conditioned buildings, retrofitting for conservation, study on mobile homes, high indoor relative humidity, report on various homes); and procedure (after funding has been secured). Measures are briefly described on opening walls, testing measures, and retrofitting procedures. An extensive bibliography and additional informative citations are included. (MCW)

  19. Modelling of condensation phenomena

    International Nuclear Information System (INIS)

    Jeong, Jae Jun; Chang, Won Pyo

    1996-07-01

    Condensation occurs when vapor is cooled sufficiently below the saturation temperature to induce the nucleation of droplets. Such nucleation may occur homogeneously within the vapor or heterogeneously on entrained particular matter. Heterogeneous nucleation may occur on the walls of the system, where the temperature is below the saturation temperature. There are two forms of heterogeneous condensation, drop-wise and film-wise. Another form of condensation occurs when vapor directly contacts to subcooled liquid. In nuclear power plant systems, all forms of condensation may occur during normal operation or accident conditions. In this work the modelling of condensation is surveyed, including the Nusselts' laminar film condensation theory in 1916, Rohsenow's turbulent film condensation model in 1950s, and Chen's models in 1987. Major attention is paid on the film condensation models among various research results because of its importance in engineering applications. It is found that theory, experiment, and empirical correlations for film condensation are well established, but research for drop-wise and direct-contact condensation are not sufficient yet. Condensation models in the best-estimate system codes such as RELAP5/MOD3 and CATHARE2 are also investigated. 3 tabs., 11 figs., 36 refs. (Author)

  20. Expedient synthesis of C-aryl carbohydrates by consecutive biocatalytic benzoin and aldol reactions.

    Science.gov (United States)

    Hernández, Karel; Parella, Teodor; Joglar, Jesús; Bujons, Jordi; Pohl, Martina; Clapés, Pere

    2015-02-16

    The introduction of aromatic residues connected by a C-C bond into the non-reducing end of carbohydrates is highly significant for the development of innovative structures with improved binding affinity and selectivity (e.g., C-aril-sLex). In this work, an expedient asymmetric "de novo" synthetic route to new aryl carbohydrate derivatives based on two sequential stereoselectively biocatalytic carboligation reactions is presented. First, the benzoin reaction of aromatic aldehydes to dimethoxyacetaldehyde is conducted, catalyzed by benzaldehyde lyase from Pseudomonas fluorescens biovar I. Then, the α-hydroxyketones formed are reduced by using NaBH4 yielding the anti diol. After acetal hydrolysis, the aldol addition of dihydroxyacetone, hydroxyacetone, or glycolaldehyde catalyzed by the stereocomplementary D-fructose-6-phosphate aldolase and L-rhamnulose-1-phosphate aldolase is performed. Both aldolases accept unphosphorylated donor substrates, avoiding the need of handling the phosphate group that the dihydroxyacetone phosphate-dependent aldolases require. In this way, 6-C-aryl-L-sorbose, 6-C-aryl-L-fructose, 6-C-aryl-L-tagatose, and 5-C-aryl-L-xylose derivatives are prepared by using this methodology. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Proceedings: Condenser technology conference

    International Nuclear Information System (INIS)

    Tsou, J.L.; Mussalli, Y.G.

    1991-08-01

    Seam surface condenser and associated systems performance strongly affects availability and heat rate in nuclear and fossil power plants. Thirty-six papers presented at a 1990 conference discuss research results, industry experience, and case histories of condenser problems and solutions. This report contains papers on life extension, performance improvement, corrosion and failure analysis, fouling prevention, and recommendation for future R ampersand D. The information represents recent work on condenser problems and solutions to improve the procurement, operation, and maintenance functions of power plant personnel. Several key points follow: A nuclear and a fossil power plant report show that replacing titanium tube bundles improves condenser availability and performance. One paper reports 10 years of experience with enhanced heat transfer tubes in utility condensers. The newly developed enhanced condenser tubes could further improve condensing heat transfer. A new resistance summation method improves the accuracy of condenser performance prediction, especially for stainless steel and titanium tubed condensers. Several papers describe improved condenser fouling monitoring techniques, including a review of zebra mussel issues

  2. Condensate cleaning systems

    International Nuclear Information System (INIS)

    Yamamoto, Michiyoshi; Oosumi, Katsumi; Takashima, Yoshie; Mitani, Shinji.

    1982-01-01

    Purpose: To decrease the frequency for the backwash and regeneration operations due to the increase in the differential pressure resulted from claddings captured in a mixed floor type desalter, and decrease the amount of radioactive liquid wastes of claddings from the condensate systems by removing claddings with electromagnetic filters. Constitution: In an existent plant, a valves is disposed between a condensate pump and a mixed floor type desalter. A pipeway is branched from a condensate pipe between the condensate pipe and the valve, through which condensates are transferred by a pump to an electromagnetic filter such as of a high gradient type electromagntic filter to remove claddings, then returned to a condensate pipe between the valve and the mixed floor type desalter and, thereafter, are removed with ionic components in the mixed floor type desalter and fed to the reactor. (Yoshino, Y.)

  3. Influence of Intramolecular Charge Transfer and Nuclear Quantum Effects on Intramolecular Hydrogen Bonds in Azopyrimidines.

    Science.gov (United States)

    Bártová, Kateřina; Čechová, Lucie; Procházková, Eliška; Socha, Ondřej; Janeba, Zlatko; Dračínský, Martin

    2017-10-06

    Intramolecular hydrogen bonds (IMHBs) in 5-azopyrimidines are investigated by NMR spectroscopy and DFT computations that involve nuclear quantum effects. A series of substituted 5-phenylazopyrimidines with one or two hydrogen bond donors able to form IMHBs with the azo group is prepared by azo coupling. The barrier of interconversion between two rotamers of the compounds with two possible IMHBs is determined by variable temperature NMR spectroscopy and it is demonstrated that the barrier is significantly affected by intramolecular charge transfer. Through-hydrogen-bond scalar coupling is investigated in 15 N labeled compounds and the stability of the IMHBs is correlated with experimental NMR parameters and rationalized by path integral molecular dynamics simulations that involve nuclear quantum effects. Detailed information on the hydrogen bond geometry upon hydrogen-to-deuterium isotope exchange is obtained from a comparison of experimental and calculated NMR data.

  4. Tandem Aldol-Michael Reactions in Aqueous Diethylamine Medium: A Greener and Efficient Approach to Bis-Pyrimidine Derivatives

    Directory of Open Access Journals (Sweden)

    Abdullah M. Al-Majid

    2013-12-01

    Full Text Available A simple protocol, involving the green synthesis for the construction of novel bis-pyrimidine derivatives, 3a–i and 4a–e are accomplished by the aqueous diethylamine media promoted tandem Aldol-Michael reaction between two molecules of barbituric acid derivatives 1a,b with various aldehydes. This efficient synthetic protocol using an economic and environmentally friendly reaction media with versatility and shorter reaction time provides bis-pyrimidine derivatives with high yields (88%–99%.

  5. Direct asymmetric vinylogous aldol reaction of allyl ketones with isatins: Divergent synthesis of 3-hydroxy-2-oxindole derivatives

    KAUST Repository

    Zhu, Bo

    2013-05-03

    6 in 1: The highly enantioselective title reaction is mediated by a bifunctional catalyst and leads to E-configured vinylogous aldol products (see scheme). These products are used as common intermediates in the synthesis of six biologically active 3-hydroxy-2-oxindole derivatives (e.g., CPC-1). Computational studies indicated that the observed stereoselectivity is a result of favorable secondary π-π* and H-bonding interactions in the transition state. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Systematic text condensation

    DEFF Research Database (Denmark)

    Malterud, Kirsti

    2012-01-01

    To present background, principles, and procedures for a strategy for qualitative analysis called systematic text condensation and discuss this approach compared with related strategies.......To present background, principles, and procedures for a strategy for qualitative analysis called systematic text condensation and discuss this approach compared with related strategies....

  7. Chromosome condensation and segmentation

    International Nuclear Information System (INIS)

    Viegas-Pequignot, E.M.

    1981-01-01

    Some aspects of chromosome condensation in mammalians -humans especially- were studied by means of cytogenetic techniques of chromosome banding. Two further approaches were adopted: a study of normal condensation as early as prophase, and an analysis of chromosome segmentation induced by physical (temperature and γ-rays) or chemical agents (base analogues, antibiotics, ...) in order to show out the factors liable to affect condensation. Here 'segmentation' means an abnormal chromosome condensation appearing systematically and being reproducible. The study of normal condensation was made possible by the development of a technique based on cell synchronization by thymidine and giving prophasic and prometaphasic cells. Besides, the possibility of inducing R-banding segmentations on these cells by BrdU (5-bromodeoxyuridine) allowed a much finer analysis of karyotypes. Another technique was developed using 5-ACR (5-azacytidine), it allowed to induce a segmentation similar to the one obtained using BrdU and identify heterochromatic areas rich in G-C bases pairs [fr

  8. Condensation in complex geometries

    International Nuclear Information System (INIS)

    Lauro, F.

    1975-01-01

    A mathematical evaluation of the condensation exchange coefficient can only succeds for well specified cases: small upright or inclined plates, horizontal tubes, small height vertical tubes. Among the main hypotheses accounted for this mathematical development in the case of the condensate, a laminar flow and uniform surface temperature are always considered. In practice certain shapes of surfaces significantly increase the heat transfer during the vapor condensation on a surface wet by the condensate. Such surfaces are rough surfaces such as the condensate is submitted to surface tension effects, negligeable for plane or large curvature surfaces, and the nature of the material may play an important role (temperature gradients). Results from tests on tubes with special shapes, performed in France or out of France, are given [fr

  9. Quartet condensation of fermions.

    Science.gov (United States)

    Talukdar, Aseem; Ma, Michael; Zhang, Fu-Chun

    2007-10-01

    We investigate quartet condensation in fermion systems with four internal states. This is the generalization of the well known BCS superconductor formed by Cooper pair (CP) condensation. Physical examples include spin-3/2 fermionic atoms, bi-layered systems with electrons and holes, quadra-layer spin polarized electron hole system, and two band electronic system. We derive the Landau Ginzberg (LG) free energy for such system in terms of the CP amplitudes. The LG free energy is found to contain attractive interactions among different types of CP's. This will allow them to form bound states of CP's called Cooper quartets (CQ). Using a variational calculation based on the Bogoliubov inequality, we find that CQ condensation may be favored over pair condensation at low temperature. We also study the pairing structures in such systems when pair condensation is preferred.

  10. Visible absorbing croconium dyes with intramolecular hydrogen bonding: A combined experimental and computational study

    Science.gov (United States)

    Prabhakar, Ch.; Promila; Tripathi, Anuj; Bhanuprakash, K.; Jayathirtharao, V.

    2017-10-01

    Croconium molecules CR1-CR4 with break-in conjugation (Csbnd N Bonding) was synthesized by condensation of croconic acid and arylamines. By using combined experimental and theoretical methods like UV-visible spectra, DFT and TDDFT studies, we have characterized electronic absorption properties. The reported molecules are having absorption in visible region ranging from 450 to 550 nm with large extinction coefficient (2.5-5.0 × 104 M-1 cm-1). We find that CR2 and CR4 are showing 50 to 100 nm red shifted absorption than CR1 and CR3. This red shift is possibly due to presence of intramolecular hydrogen bonding in CR2 and CR4. Further this is supported by DFT studies, in case of CR2 and CR4 shows strong intramolecular hydrogen bonding between oxygen of carboxylate group (at ortho position of phenyl ring) and hydrogen of nitrogen attached to the central croconate ring. It is also observed that, there is small diradicaloid character in these molecules. This study is helpful in design and synthesis of new croconium dyes which are useful in materials applications.

  11. Catalytic Routes for the Conversion of Biomass Derivatives to Hydrocarbons and/or Platform Chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Silks, III, Louis A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-10-07

    Unprotected carbohydrates were reacted in amine-catalyzed cascade reactions with various methyl ketones to give a direct access to C-glycosides by an operationally simple protocol. As the reaction mechanism,an aldol condensation followed by an intramolecular conjugate addition is assumed.

  12. Fluorescence and Intramolecular Energy Transfer in Polyphenylene Dendrimers

    NARCIS (Netherlands)

    Liu, Daojun; Feyter, Steven De; Cotlet, Mircea; Stefan, Alina; Wiesler, Uwe-Martin; Herrmann, Andreas; Grebel-Koehler, Dörthe; Qu, Jianqiang; Müllen, Klaus; Schryver, Frans C. De

    2003-01-01

    The fluorescence of polyphenylene dendrimers and the intramolecular energy transfer in polyphenylene dendrimers containing a perylenediimide core have been investigated in this paper. Polyphenylene dendrimers composed of tens or hundreds of out-of-plane twisted phenyl units exhibit strong

  13. Intramolecularly Hydrogen-Bonded Polypyrroles as Electro-Optical Sensors

    National Research Council Canada - National Science Library

    Nicholson, Jesse

    2001-01-01

    We have developed a new class of polypyrroles bearing both hydrogen-bond acceptor and hydrogen-donor groups such that the intramolecular hydrogen bonding holds the system planar enhancing conjugation...

  14. Environmentally friendly paint and varnish additives based on isobutyrate aldehyde condensation products

    Science.gov (United States)

    Guziałowska-Tic, Joanna; Jan Tic, Wilhelm

    2017-10-01

    The demand for exploitation of new plasticizers and coalescents to be used for production of water dispersion adhesives based on poli(vinyl acetate), turned to be recently of particular significance because the use of all kind of toxic phthalates was banned and certain restrictions were made to use glycol derivatives classified as volatile organic compounds. An alternative for toxic plasticizers used for production of adhesives is hydroxyester (HE-1) obtained from isobutanal during the process of aldol condensation under subsequent Cannizaro and Tischenko reactions. The paper presents selected results of ecotoxicological tests on the environmental impact of hydroxyester HE-1. It was found that the substance is biodegradable and has no negative impact on algae growth rate, however it may inhibit algae biomass growth. The results of Daphnia immobilization test shows that the substance is safe for the aquatic environment. Whereas, at higher concentrations, hydroxyester HE-1 may exhibit acute toxicity to rainbow trout.

  15. Physics of condensed matter

    CERN Document Server

    Misra, Prasanta K

    2012-01-01

    Physics of Condensed Matter is designed for a two-semester graduate course on condensed matter physics for students in physics and materials science. While the book offers fundamental ideas and topic areas of condensed matter physics, it also includes many recent topics of interest on which graduate students may choose to do further research. The text can also be used as a one-semester course for advanced undergraduate majors in physics, materials science, solid state chemistry, and electrical engineering, because it offers a breadth of topics applicable to these majors. The book be

  16. Unexpected Synthesis of 5,6-Dihydropyridin-2(1H)-ones by a Domino Ugi/Aldol/Hydrolysis Reaction Starting from Baylis-Hillman Phosphonium Salts.

    Science.gov (United States)

    Zeng, Xiao-Hua; Wang, Hong-Mei; Ding, Ming-Wu

    2015-05-01

    A one-pot synthetic approach to 5,6-dihydropyridin-2(1H)-ones has been developed using a domino process involving Ugi, aldol, and hydrolysis reactions, starting with Baylis-Hillman phosphonium salts, primary amines, isocyanides, and arylglyoxals.

  17. Catalyst-free synthesis of α1-oxindole-α-hydroxyphosphonates via phospha-aldol reaction of isatins employing N-heterocyclic phosphine (NHP)-thiourea.

    Science.gov (United States)

    Molleti, Nagaraju; Yong Kang, Jun

    2016-09-26

    A highly efficient phospha-aldol reaction for the synthesis of α 1 -oxindole-α-hydroxyphosphonates is developed utilizing N-heterocyclic phosphine (NHP)-thiourea as a phosphonylation reagent under catalyst, additive free conditions. This methodology encompasses a variety of isatin derivatives to provide α 1 -oxindole- α-hydroxyphosphonates up to 99% yield.

  18. In situ generation of less accessible Boc-imines from aldehydes: construction of a quaternary carbon by the Mannich reaction or unprecedented aldol reaction.

    Science.gov (United States)

    Kano, Taichi; Homma, Chihiro; Maruoka, Keiji

    2017-05-31

    In situ generation of less accessible N-Boc-protected imines from aldehydes and their application to the direct three-component Mannich reaction with β-dicarbonyls were realized. The catalyst-free aldol reaction of ynals with β-dicarbonyls was also developed.

  19. Condensation in Microchannels

    National Research Council Canada - National Science Library

    Ameel, Timothy

    1999-01-01

    .... Evaporators and condensers for meso-scale energy systems will most likely be constructed of microchannels due to the microfabrication constraints that limit most structures to two-dimensional planar geometries...

  20. Condensate feeding system

    International Nuclear Information System (INIS)

    Iwami, Hiroshi.

    1981-01-01

    Purpose: To control the dissolved oxygen concentration in water of a condensate feeding system to a desired level. Constitution: Coolant is fed to a nuclear reactor through a route from the steam exit of the reactor and by way of turbine, turbine condensator, condensate pump, condensate desalinator, feedwater heater and feed pump. Steam extraction lines are branched from the turbines, and pipeways are further branched from the steam extraction lines for feeding steam by way of extraction steam injection valves to steam-water mixers disposed on the upstream of the feedwater heater. On the downstream of the feedwater heater, is provided a dissolved oxygen concentration meter, the indication value of which controls the opening degree of the steam injection valves which, in turn, controls the opening degree of the steam feed valves for the feedwater heater to adjust the amount for the injection steams. Accordingly, the dissolved oxygen concentration in the water of the condensate feeding system can be controlled by the inclusion of steams with high dissolved oxygen concentration into the feedwater system from the turbine steam extraction lines by way of the mixers. (Furukawa, Y.)

  1. Observation of the intermediates of in-source aldolization reaction in electrospray ionization mass spectrometry analysis of heteroaromatic aldehydes.

    Science.gov (United States)

    Jiang, Kezhi; Zhang, Xiaoping; Bai, Xingfeng; Lv, Huiqing; Li, Zuguang; Lee, Maw-Rong

    2015-01-01

    Electrospray ionization mass spectrometry (ESI-MS) analyses of 2-(1,2,4-triazole-1-yl)-6-methyl-3- quinolinecarboxaldehyde were carried out by using an ion trap mass spectrometer in a positive-ion mode. Interestingly, several unusual [M + 15](+), [M + 33](+), and [M + 47](+) ions were observed with a high abundance in the ESI-MS spectrum when methanol was used as the ESI solvent. However, only the protonated molecule was obtained with acetonitrile as the ESI solvent. These unusual ions have been proposed as the intermediates of an aldolization reaction occurring in the ESI source, which have been validated by a tandem mass spectrometry experiment, high-performance liquid chromatography/mass spectrometry analysis, and theoretical calculations. A full understanding of this reaction can contribute to the avoidance of analysis errors in the ESI-MS analysis of unknown heteroaromatic aldehydes.

  2. Condensed matter physics

    CERN Document Server

    Isihara, A

    2007-01-01

    More than a graduate text and advanced research guide on condensed matter physics, this volume is useful to plasma physicists and polymer chemists, and their students. It emphasizes applications of statistical mechanics to a variety of systems in condensed matter physics rather than theoretical derivations of the principles of statistical mechanics and techniques. Isihara addresses a dozen different subjects in separate chapters, each designed to be directly accessible and used independently of previous chapters. Topics include simple liquids, electron systems and correlations, two-dimensional

  3. Illustrating the Utility of X-Ray Crystallography for Structure Elucidation through a Tandem Aldol Condensation/Diels-Alder Reaction Sequence

    Science.gov (United States)

    Hoang, Giang T.; Kubo, Tomohiro; Young, Victor G., Jr.; Kautzky, Jacob A.; Wissinger, Jane E.

    2015-01-01

    Two introductory organic chemistry laboratory experiments are described based on the Diels-Alder reaction of 2,3,4,5-tetraphenylcyclopentadienone, which is synthesized prior to or in a one-pot reaction, with styrene. Students are presented with three possible products, the "endo" and "exo" diastereomers and the decarbonylated…

  4. Application of a new tandem isomerization-aldolization reaction of allylic alcohols to the synthesis of three diastereoisomers of (2R)-1,2-O-isopropylidene-4-methylpentane-1,2,3,5-tetraol.

    Science.gov (United States)

    Cuperly, David; Crévisy, Christophe; Grée, René

    2003-08-08

    The tandem isomerization-aldolization reaction of (2R)-1,2-O-isopropylidene-4-penten-1,2,3-triol 3 and formaldehyde gives a mixture of two aldol products 2a and 2b. The stereoselective reduction of each compound by l-Selectride affords two diastereoisomers of (2R)-1,2-O-Isopropylidene-4-methylpentane-1,2,3,5-tetraol while a third diastereoisomer is obtained by stereoselective reduction with Me(4)NHB(OAc)(3).

  5. Condensed matter physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The condensed matter physics research in the Physics Department of Risoe National Laboratory is predominantly experimental utilising diffraction of neutrons and x-rays. The research topics range from studies of structure, excitations and phase transitions in model systems to studies of ion transport, texture and recrystallization kinetics with a more applied nature. (author)

  6. Modular invariant gaugino condensation

    Energy Technology Data Exchange (ETDEWEB)

    Gaillard, M.K.

    1991-05-09

    The construction of effective supergravity lagrangians for gaugino condensation is reviewed and recent results are presented that are consistent with modular invariance and yield a positive definite potential of the noscale type. Possible implications for phenomenology are briefly discussed. 29 refs.

  7. Bose-Einstein Condensation

    Indian Academy of Sciences (India)

    have quoted, London noted that at the density of liquid helium, the temperature for Bose-Einstein condensation of an ideal gas would be about three degrees above absolute zero.4 Liquid helium shows new properties below 2.1 degrees Kelvin [3]. London boldly suggested that these new properties were a consequence of ...

  8. Bose-Einstein Condensation

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 10; Issue 12. Bose-Einstein Condensation - Birds of a Feather Flock Together. Rajaram Nityananda. Volume 10 Issue 12 December 2005 pp 142-147. Fulltext. Click here to view fulltext PDF. Permanent link:

  9. Bose-Einstein Condensation

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 5; Issue 4. Bose–Einstein Condensation - Birds of a Feather Flock Together. Rajaram Nityananda. General Article Volume 5 Issue 4 April 2000 pp 46-51. Fulltext. Click here to view fulltext PDF. Permanent link:

  10. Bose-Einstein condensation

    Indian Academy of Sciences (India)

    Bose-Einstein Condensation. Vasant Natarajan is at the. Department of Physics,. Indian Institute of. Science. His current research involves trapping of atoms to carry out high precision tests of fundamental physics. He has earlier worked on high precision mass spectrom- etry and on the focussing of atomic beams by laser.

  11. Confinement contains condensates

    DEFF Research Database (Denmark)

    Brodsky, S. J.; Roberts, C. D.; Shrock, R.

    2012-01-01

    Dynamical chiral symmetry breaking and its connection to the generation of hadron masses has historically been viewed as a vacuum phenomenon. We argue that confinement makes such a position untenable. If quark-hadron duality is a reality in QCD, then condensates, those quantities that have common...... evidence and incidentally expose misconceptions in a recent Comment....

  12. Condensed matter physics

    International Nuclear Information System (INIS)

    1990-01-01

    This is a summary of condensed matter physics in Brazil. It discusses as well, the perspectives and financing evolved in this research area for the next decade. It is specially concerned with semiconductors, magnetic materials, superconductivity, polymers, glasses, crystals ceramics, statistical physics, magnetic resonance and Moessbauer spectroscopy. (A.C.A.S.)

  13. Electrons in Condensed Matter

    Indian Academy of Sciences (India)

    Electrons in Condensed Matter. T V Ramakrishnan. Introduction. A hundred years ago, J J Thomson tore light negatively charged particles out of many different kinds of atoms by subjecting them to strong electric fields in discharge tubes. He showed that the same particle (with identical charge e and charge to mass ratio ...

  14. Simple Simulations of DNA Condensation

    Energy Technology Data Exchange (ETDEWEB)

    STEVENS,MARK J.

    2000-07-12

    Molecular dynamics simulations of a simple, bead-spring model of semiflexible polyelectrolytes such as DNA are performed. All charges are explicitly treated. Starting from extended, noncondensed conformations, condensed structures form in the simulations with tetravalent or trivalent counterions. No condensates form or are stable for divalent counterions. The mechanism by which condensates form is described. Briefly, condensation occurs because electrostatic interactions dominate entropy, and the favored Coulombic structure is a charge ordered state. Condensation is a generic phenomena and occurs for a variety of polyelectrolyte parameters. Toroids and rods are the condensate structures. Toroids form preferentially when the molecular stiffness is sufficiently strong.

  15. An Expeditious and Safe Synthesis of Some Exocyclic α,β-Unsaturated Ketones by Microwave-Assisted Condensation of Cyclic Ketones with Aromatic Aldehydes over Anhydrous Potassium Carbonate

    Directory of Open Access Journals (Sweden)

    Rina Mondal

    2012-01-01

    Full Text Available A rapid, efficient, and solvent-free methodology for synthesis of exocyclic α,β-unsaturated ketones of the categories E-3-arylidene-4-chromanones, E-2-arylidene-1-tetralones, E-2-arylidene-1-indanones, E-3-cinnamylidene-4-chromanones, E-2-cinnamylidene-1-tetralones, E-2-cinnamylidene-1-indanones, α,α′-(E,E-bis(arylidene-cycloalkanones, and α,α′-(E,E-bis(cinnamylidene-cycloalkanones has been developed through cross-aldol condensation of the constituent cyclic ketones and aldehydes by microwave irradiation over anhydrous potassium carbonate. However, for condensation of 1-thio-4-chromanones with aromatic aldehydes by this method, the initially formed exocyclic α,β-unsaturated ketone has been found to undergo isomerization yielding 3-(arylmethylthiochromones.

  16. Catalytic Aldol-Cyclization Cascade of 3-Isothiocyanato Oxindoles with α-Ketophosphonates for the Enantioselective Synthesis of β-Amino-α-hydroxyphosphonates.

    Science.gov (United States)

    Kayal, Satavisha; Mukherjee, Santanu

    2015-11-06

    A cascade aldol-cyclization reaction between 3-isothiocyanato oxindoles and α-ketophosphonates has been developed for the synthesis of β-amino-α-hydroxyphosphonate derivatives. Catalyzed by a quinine-based tertiary amino-thiourea derivative, this reaction delivers 2-thioxooxazolidinyl phosphonates based on a spirooxindole scaffold bearing two contiguous quaternary stereogenic centers in high yields with excellent diastereo- (up to >20:1 dr) and enantioselectivities (up to >99:1 er).

  17. Enantioselective organocatalyzed Oxa-Michael-Aldol cascade reactions: Construction of chiral 4H-chromenes with a trifluoromethylated tetrasubstituted carbon stereocenter

    KAUST Repository

    Zhang, Jing

    2015-03-13

    The first organocatalytic asymmetric synthesis of 4H-chromenes bearing a trifluoromethylated tetrasubstituted carbon center is presented. Chiral secondary amines promote the oxa-Michael-aldol cascade reaction between alkynals and 2-trifluoroacetylphenols via iminium-allenamine activation to produce pharmaceutically important heterocycles with excellent enantioselectivities. The proposed reaction can be scaled-up easily with maintenance of the excellent enantioselectivity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Catalytic asymmetric access to alpha,beta unsaturated delta-lactones through a vinylogous aldol reaction: application to the total synthesis of the Prelog-Djerassi lactone.

    Science.gov (United States)

    Bluet, G; Bazán-Tejeda, B; Campagne, J M

    2001-11-15

    [reaction--see text] A one-step catalytic asymmetric access to alpha,beta unsaturated delta-lactones is described, using a vinylogous Mukaiyama-aldol reaction between a gamma-substituted dienolate and various aldehydes in the presence of Carreira catalyst CuF.(S)-tolBinap. This methodology has been further applied to a straightforward access to the Prelog-Djerassi lactone.

  19. Organocatalytic decarboxylative aldol reaction of β-ketoacids with α-ketophosphonates en route to the enantioselective synthesis of tertiary α-hydroxyphosphonates.

    Science.gov (United States)

    Vamisetti, Ganga B; Chowdhury, Raghunath; Ghosh, Sunil K

    2017-05-10

    The first example of an asymmetric organocatalyzed decarboxylative aldol reaction of β-ketoacids (aroylacetic acids) with α-ketophosphonates that produces a quaternary chiral centre has been developed. A quinidine based bifunctional urea derivative was identified as the preferred catalyst affording γ-aroyl tertiary α-hydroxyphosphonates in good yield and enantioselectivity. The 31 P NMR spectroscopic study was performed to shed light on the reaction mechanism.

  20. Evaluation of intramolecular charge transfer state of 4-N, N ...

    Indian Academy of Sciences (India)

    intermediate charge transfer (TICT) model.2 Evidence suggests that the intramolecular TICT process from a donor to an acceptor could be achieved by a twist- ing motion of the donor moiety that promotes initially generated locally excited (LE) state to an energeti- cally relaxed charge transfer state (CT).2–6,8,13 Besides.

  1. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Excited state intramolecular charge transfer reaction of 4-(1-azetidinyl) benzonitrile (P4C) in deuterated and normal methanol, ethanol and acetonitrile has been studied in order to investigate the solvent isotope effects on reaction rates and yields. These quantities (reaction rates and yields) along with several.

  2. Excited state intramolecular charge transfer reaction of 4 ...

    Indian Academy of Sciences (India)

    An intramolecular charge transfer (ICT) molecule with an extra hetero atom in its donor moiety has been synthesized in order to investigate how ICT reaction is affected by hetero atom replacement. Photo-physical and photo-dynamical properties of this molecule, 4-(morpholenyl)benzonitrile (M6C), have been studied in 20 ...

  3. Preparation of CN x /Carbon Nanotube Intramolecular Junctions by ...

    African Journals Online (AJOL)

    Preparation of CN x /Carbon Nanotube Intramolecular Junctions by Switching Gas Sources in Continuous Chemical Vapour Deposition. ... nanotubes were observed, and such different structures at both sides of the junctions indicated some interesting properties and offered potential applications for future nanodevices.

  4. and Di-hydration on the Intramolecular Proton Transfers and ...

    Indian Academy of Sciences (India)

    of the isomers did not change the stability trend, so that the tri-keto isomer was the most stable isomer among the hydrated and non-hydrated isomers. The activation energies (Ea) of the intramolecular proton transfers. (tautomerisms) and energy barriers of H-rotations around its C-O axis in enolic isomers were calculated.

  5. The intramolecular electron transfer between copper sites of nitrite reductase

    DEFF Research Database (Denmark)

    Farver, O; Eady, R R; Abraham, Z H

    1998-01-01

    The intramolecular electron transfer (ET) between the type 1 Cu(I) and the type 2 Cu(II) sites of Alcaligenes xylosoxidans dissimilatory nitrite reductase (AxNiR) has been studied in order to compare it with the analogous process taking place in ascorbate oxidase (AO). This internal process is in...

  6. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Excited state intramolecular charge transfer reaction of 4-(1-azetidinyl) benzonitrile (P4C) in deuterated and normal methanol, ethanol and acetonitrile has been studied in order to investigate the solvent isotope effects on reaction rates and yields. These quantities (reaction rates and yields) along with several other ...

  7. Effects of acid concentration on intramolecular charge transfer ...

    Indian Academy of Sciences (India)

    of P4C molecule.7 Temperature-assisted aggregation of alcohol has also been observed by following the fluo- rescence response of the same solute.20 Electrolyte- induced modulation of intramolecular charge transfer rate of P4C molecule in pure solvent has been explored and a non-monotonic dependence observed.18.

  8. Influence of non condensable gases on condenser performance. Bibliographical study

    International Nuclear Information System (INIS)

    Phong, Vinh

    1970-09-01

    The author proposes a synthesis of a bibliographical study on condenser performance, and more particularly on the influence of non-condensables on these performance. He distinguishes experimental studies, and analytical or theoretical studies. As far as experimental studies are concerned, he discusses various factors: influence of the rate of non condensables and of scan rate, influence of condenser geometry, influence of the exchanged heat flow, influence of the operational pressure, empirical correlations. As far as analytical studies on the influence of non-condensables are concerned, the author discusses and comments diffusion laws, and some specific studies [fr

  9. Research Status of Evaporative Condenser

    Science.gov (United States)

    Wang, Feifei; Yang, Yongan

    2018-02-01

    Reducing energy consumption, saving water resources, recycling cool water are main directions of China’s development. Evaporative condenser using latent heat reduces water resources waste, with energy-saving advantages. This paper reviews the research status of evaporative condenser at home and abroad, and introduces the principle, classification, various influencing factors of evaporative condenser, and puts forward the future research direction.

  10. Recovery of condensate water quality in power generator's surface condenser

    Science.gov (United States)

    Kurniawan, Lilik Adib

    2017-03-01

    In PT Badak NGL Plant, steam turbines are used to drive major power generators, compressors, and pumps. Steam exiting the turbines is condensed in surface condensers to be returned to boilers. Therefore, surface condenser performance and quality of condensate water are very important. One of the recent problem was caused by the leak of a surface condenser of Steam Turbine Power Generator. Thesteam turbine was overhauled, leaving the surface condenser idle and exposed to air for more than 1.5 years. Sea water ingress due to tube leaks worsens the corrosionof the condenser shell. The combination of mineral scale and corrosion product resulting high conductivity condensate at outlet condenser when we restarted up, beyond the acceptable limit. After assessing several options, chemical cleaning was the best way to overcome the problem according to condenser configuration. An 8 hour circulation of 5%wt citric acid had succeed reducing water conductivity from 50 μmhos/cm to below 5 μmhos/cm. The condensate water, then meets the required quality, i.e. pH 8.3 - 9.0; conductivity ≤ 5 μmhos/cm, therefore the power generator can be operated normally without any concern until now.

  11. Condensed matter physics

    CERN Document Server

    Marder, Michael P

    2010-01-01

    This Second Edition presents an updated review of the whole field of condensed matter physics. It consolidates new and classic topics from disparate sources, teaching not only about the effective masses of electrons in semiconductor crystals and band theory, but also about quasicrystals, dynamics of phase separation, why rubber is more floppy than steel, granular materials, quantum dots, Berry phases, the quantum Hall effect, and Luttinger liquids.

  12. Asymmetric condensed dark matter

    Energy Technology Data Exchange (ETDEWEB)

    Aguirre, Anthony; Diez-Tejedor, Alberto, E-mail: aguirre@scipp.ucsc.edu, E-mail: alberto.diez@fisica.ugto.mx [Santa Cruz Institute for Particle Physics and Department of Physics, University of California, Santa Cruz, CA, 95064 (United States)

    2016-04-01

    We explore the viability of a boson dark matter candidate with an asymmetry between the number densities of particles and antiparticles. A simple thermal field theory analysis confirms that, under certain general conditions, this component would develop a Bose-Einstein condensate in the early universe that, for appropriate model parameters, could survive the ensuing cosmological evolution until now. The condensation of a dark matter component in equilibrium with the thermal plasma is a relativistic process, hence the amount of matter dictated by the charge asymmetry is complemented by a hot relic density frozen out at the time of decoupling. Contrary to the case of ordinary WIMPs, dark matter particles in a condensate must be lighter than a few tens of eV so that the density from thermal relics is not too large. Big-Bang nucleosynthesis constrains the temperature of decoupling to the scale of the QCD phase transition or above. This requires large dark matter-to-photon ratios and very weak interactions with standard model particles.

  13. Excited state intramolecular proton transfer in some tautomeric azo dyes and Schiff bases containing an intramolecular hydrogen bond

    NARCIS (Netherlands)

    Joshi, H.C.; Kamounah, F.S.; Gooijer, C.; van der Zwan, G.; Antonov, L.

    2002-01-01

    Photophysical properties of several basically important aromatic azodyes (1-phenylazo-2-naphthol and 2-phenylazo-1-naphthol) and Schiff bases (N-(2-hydroxy-1-naphthylmethylidene) aniline and N-(1-hydroxy-2-naphthylmethylidene) aniline) all containing an intramolecular hydrogen bond were studied by

  14. Highly selective condensation of biomass-derived methyl ketones as a source of aviation fuel.

    Science.gov (United States)

    Sacia, Eric R; Balakrishnan, Madhesan; Deaner, Matthew H; Goulas, Konstantinos A; Toste, F Dean; Bell, Alexis T

    2015-05-22

    Aviation fuel (i.e., jet fuel) requires a mixture of C9 -C16 hydrocarbons having both a high energy density and a low freezing point. While jet fuel is currently produced from petroleum, increasing concern with the release of CO2 into the atmosphere from the combustion of petroleum-based fuels has led to policy changes mandating the inclusion of biomass-based fuels into the fuel pool. Here we report a novel way to produce a mixture of branched cyclohexane derivatives in very high yield (>94 %) that match or exceed many required properties of jet fuel. As starting materials, we use a mixture of n-alkyl methyl ketones and their derivatives obtained from biomass. These synthons are condensed into trimers via base-catalyzed aldol condensation and Michael addition. Hydrodeoxygenation of these products yields mixtures of C12 -C21 branched, cyclic alkanes. Using models for predicting the carbon number distribution obtained from a mixture of n-alkyl methyl ketones and for predicting the boiling point distribution of the final mixture of cyclic alkanes, we show that it is possible to define the mixture of synthons that will closely reproduce the distillation curve of traditional jet fuel. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Soft Condensed Matter

    International Nuclear Information System (INIS)

    Jones, Richard A L

    2002-01-01

    The author states in the preface of the book that the aim is '...to give a unified overview of the various aspects of the physics of soft condensed matter'. The book succeeds in fulfilling this aim in many respects. The style is fluent and concise and gives the necessary explanations to make its content understandable to people with some knowledge of the basic principles of physics. The content of the book is complete enough to give a panoramic view of the landscape of soft condensed matter. The first two chapters give, respectively, a short introduction and a presentation of forces, energies and timescales, giving a general overview and pointing out the particular importance of different aspects such as timescales, which are much more important in soft condensed matter than in traditional or 'hard' condensed matter. The next chapter, devoted to phase transition, recalls that the equilibrium between two phases is controlled by free energy considerations. Spinodal decomposition is presented as a counterpart of nucleation and growth. Again, characteristic length scales are considered and applied to a phase separation mixture of polymers in a common solvent. The following three chapters are devoted respectively to specific topics: colloidal dispersion, polymers and gelation. The stability and phase behaviour of colloids are related to the interaction between colloidal particles. Properties of colloidal crystals as well as colloidal dispersion are depicted in terms of stabilization of crystalline colloids. The flow properties of colloidal dispersion are presented in terms of free energy minimization and the structure of the dispersion. After a brief introduction to polymer chemistry and architecture, the coil-globule transition is discussed. Viscoelasticity of polymers is described and discussed by introducing the notion of entanglement. This leads to the introduction of the tube model and the theory of reptation. The sol-gel transition is presented phenomenologically

  16. Condensed Matter Nuclear Science

    Science.gov (United States)

    Biberian, Jean-Paul

    2006-02-01

    1. General. A tribute to gene Mallove - the "Genie" reactor / K. Wallace and R. Stringham. An update of LENR for ICCF-11 (short course, 10/31/04) / E. Storms. New physical effects in metal deuterides / P. L. Hagelstein ... [et al.]. Reproducibility, controllability, and optimization of LENR experiments / D. J. Nagel -- 2. Experiments. Electrochemistry. Evidence of electromagnetic radiation from Ni-H systems / S. Focardi ... [et al.]. Superwave reality / I. Dardik. Excess heat in electrolysis experiments at energetics technologies / I. Dardik ... [et al.]. "Excess heat" during electrolysis in platinum/K[symbol]CO[symbol]/nickel light water system / J. Tian ... [et al.]. Innovative procedure for the, in situ, measurement of the resistive thermal coefficient of H(D)/Pd during electrolysis; cross-comparison of new elements detected in the Th-Hg-Pd-D(H) electrolytic cells / F. Celani ... [et al.]. Emergence of a high-temperature superconductivity in hydrogen cycled Pd compounds as an evidence for superstoihiometric H/D sites / A. Lipson ... [et al.]. Plasma electrolysis. Calorimetry of energy-efficient glow discharge - apparatus design and calibration / T. B. Benson and T. O. Passell. Generation of heat and products during plasma electrolysis / T. Mizuno ... [et al.]. Glow discharge. Excess heat production in Pd/D during periodic pulse discharge current in various conditions / A. B. Karabut. Beam experiments. Accelerator experiments and theoretical models for the electron screening effect in metallic environments / A. Huke, K. Czerski, and P. Heide. Evidence for a target-material dependence of the neutron-proton branching ratio in d+d reactions for deuteron energies below 20keV / A. Huke ... [et al.]. Experiments on condensed matter nuclear events in Kobe University / T. Minari ... [et al.]. Electron screening constraints for the cold fusion / K. Czerski, P. Heide, and A. Huke. Cavitation. Low mass 1.6 MHz sonofusion reactor / R. Stringham. Particle detection. Research

  17. The condensed matter physics

    International Nuclear Information System (INIS)

    Sapoval, B.

    1988-01-01

    The 1988 progress report of the laboratory of the Condensed Matter Physics (Polytechnic School, France), is presented. The Laboratory activities are related to the physics of semiconductors and disordered phases. The electrical and optical properties of the semiconductors, mixed conductor, superionic conductors and ceramics, are studied. Moreover, the interfaces of those systems and the sol-gel inorganic polymerization phenomena, are investigated. The most important results obtained, concern the following investigations: the electrochemical field effect transistor, the cathodoluminescence, the low energy secondary electrons emission, the fluctuations of a two-dimensional diffused junction and the aerogels [fr

  18. Topology in Condensed Matter

    CERN Document Server

    Monastyrsky, M I

    2006-01-01

    This book reports new results in condensed matter physics for which topological methods and ideas are important. It considers, on the one hand, recently discovered systems such as carbon nanocrystals and, on the other hand, new topological methods used to describe more traditional systems such as the Fermi surfaces of normal metals, liquid crystals and quasicrystals. The authors of the book are renowned specialists in their fields and present the results of ongoing research, some of it obtained only very recently and not yet published in monograph form.

  19. Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

    KAUST Repository

    Vummaleti, Sai V. C.

    2015-11-13

    Density functional theory calculations have been used to investigate the reaction mechanism for the [Rh]-catalyzed intramolecular alkoxyacylation ([Rh] = [RhI(dppp)+] (dppp, 1,3-bis(diphenylphosphino)propane) and [Pd]/BPh3 dual catalytic system assisted intramolecular alkoxycyanation ([Pd] = Pd-Xantphos) using acylated and cyanated 2-allylphenol derivatives as substrates, respectively. Our results substantially confirm the proposed mechanism for both [Rh]- and [Pd]/ BPh3-mediated alkoxyfunctionalizations, offering a detailed geometrical and energetical understanding of all the elementary steps. Furthermore, for the [Rh]-mediated alkoxyacylation, our observations support the hypothesis that the quinoline group of the substrate is crucial to stabilize the acyl metal complex and prevent further decarbonylation. For [Pd]/BPh3-catalyzed alkoxycyanation, our findings clarify how the Lewis acid BPh3 cocatalyst accelerates the only slow step of the reaction, corresponding to the oxidative addition of the cyanate O-CN bond to the Pd center. © 2015 American Chemical Society.

  20. Structure and Intramolecular Proton Transfer of Alanine Radical Cations

    International Nuclear Information System (INIS)

    Lee, Gab Yong

    2012-01-01

    The structures of the four lowest alanine conformers, along with their radical cations and the effect of ionization on the intramolecular proton transfer process, are studied using the density functional theory and MP2 method. The energy order of the radical cations of alanine differs from that of the corresponding neutral conformers due to changes in the basicity of the NH 2 group upon ionization. Ionization favors the intramolecular proton transfer process, leading to a proton-transferred radical-cation structure, [NH 3 + -CHCH 3 -COO·], which contrasts with the fact that a proton-transferred zwitterionic conformer is not stable for a neutral alanine in the gas phase. The energy barrier during the proton transfer process is calculated to be about 6 kcal/mol

  1. Specific Features of Intramolecular Proton Transfer Reaction in Schiff Bases

    Directory of Open Access Journals (Sweden)

    Aleksander Koll

    2003-06-01

    Full Text Available Abstract: The differences between the intramolecular proton transfer in Mannich and Schiff bases are discussed. The tautomeric forms being in equilibrium in both types of molecules are seriously different. In Mannich bases there are in equilibrium the forms of phenols and phenolates. In Schiff bases each of tautomers is strongly influenced by resonance between zwitterionic and keto structures. Despite the common opinion that the proton transfer forms in compounds with internal π-electronic coupling are mainly keto forms it is shown in this work, that in Schiff bases the content of keto structure is slightly less than zwitterionic one. Almost equal participation of both forms leads to effective resonance between them and stabilization of intramolecular hydrogen bond in this way.

  2. Ice condenser experimental plan

    International Nuclear Information System (INIS)

    Kannberg, L.D.; Piepel, G.F.; Owczarski, P.C.; Liebetrau, A.M.

    1986-01-01

    An experimental plan is being developed to validate the computer code ICEDF. The code was developed to estimate the extent of aerosol retention in the ice compartments of pressurized water reactor ice condenser containment systems during severe accidents. The development of the experimental plan began with review of available information on the conditions under which the code will be applied. Computer-generated estimates of thermohydraulic and aerosol conditions entering the ice condenser were evaluated and along with other information, used to generate design criteria. The design criteria have been used for preliminary test assembly design and for generation of statistical test designs. Consideration of the phenomena to be evaluated in the testing program, as well as equipment and measurement limitations, have led to changes in the design criteria and to subsequent changes in the test assembly design and statistical test design. The overall strategy in developing the experimental plan includes iterative generation and evaluation of candidate test designs using computer codes for statistical test design and ICEDF for estimation of experimental results. Estimates of experimental variability made prior to actual testing will be verified by replicate testing at preselected design points

  3. Intramolecular hydrogen bonding and tautomerism in Schiff bases ...

    Indian Academy of Sciences (India)

    N and keto-amine, O…H-N forms) in this series. The molecular structure of 8 has been determined crystallographically, and observed that the compound is in the form of phenol-imine, defined by the strong intramolecular [O-H…N = 1.72(3), 1.81(2) Å] hydrogen bonds. Compound 8 crystallizes in the monoclinic space group ...

  4. Ferminoic physics in dipolariton condensates.

    Science.gov (United States)

    Su, Jung-Jung; Kim, Na Young; Yamamoto, Yoshihisa; Macdonald, Allan H

    2014-03-21

    An exciton polariton is an extremely light bosonic quasiparticle that is composed of an exciton and a photon. We report on a theoretical study of exciton-polariton condensation in a system with tunnel-coupled quantum wells. Because their excitons can carry an electric dipole moment, these systems have been referred to as dipolariton condensates. We use a fermionic mean-field theory that can address quantum well and other internal exciton degrees of freedom to describe the new physics present in dipolariton condensates. We find that the role of underlying fermonic degrees of freedom is enhanced and predict that metallic condensates can occur at high carrier densities.

  5. Microgravity condensing heat exchanger

    Science.gov (United States)

    Thomas, Christopher M. (Inventor); Ma, Yonghui (Inventor); North, Andrew (Inventor); Weislogel, Mark M. (Inventor)

    2011-01-01

    A heat exchanger having a plurality of heat exchanging aluminum fins with hydrophilic condensing surfaces which are stacked and clamped between two cold plates. The cold plates are aligned radially along a plane extending through the axis of a cylindrical duct and hold the stacked and clamped portions of the heat exchanging fins along the axis of the cylindrical duct. The fins extend outwardly from the clamped portions along approximately radial planes. The spacing between fins is symmetric about the cold plates, and are somewhat more closely spaced as the angle they make with the cold plates approaches 90.degree.. Passageways extend through the fins between vertex spaces which provide capillary storage and communicate with passageways formed in the stacked and clamped portions of the fins, which communicate with water drains connected to a pump externally to the duct. Water with no entrained air is drawn from the capillary spaces.

  6. Bose-Einstein Condensation

    International Nuclear Information System (INIS)

    Jaksch, D

    2003-01-01

    The Gross-Pitaevskii equation, named after one of the authors of the book, and its large number of applications for describing the properties of Bose-Einstein condensation (BEC) in trapped weakly interacting atomic gases, is the main topic of this book. In total the monograph comprises 18 chapters and is divided into two parts. Part I introduces the notion of BEC and superfluidity in general terms. The most important properties of the ideal and the weakly interacting Bose gas are described and the effects of nonuniformity due to an external potential at zero temperature are studied. The first part is then concluded with a summary of the properties of superfluid He. In Part II the authors describe the theoretical aspects of BEC in harmonically trapped weakly interacting atomic gases. A short and rather rudimentary chapter on collisions and trapping of atomic gases which seems to be included for completeness only is followed by a detailed analysis of the ground state, collective excitations, thermodynamics, and vortices as well as mixtures of BECs and the Josephson effect in BEC. Finally, the last three chapters deal with topics of more recent interest like BEC in optical lattices, low dimensional systems, and cold Fermi gases. The book is well written and in fact it provides numerous useful and important relations between the different properties of a BEC and covers most of the aspects of ultracold weakly interacting atomic gases from the point of view of condensed matter physics. The book contains a comprehensive introduction to BEC for physicists new to the field as well as a lot of detail and insight for those already familiar with this area. I therefore recommend it to everyone who is interested in BEC. Very clearly however, the intention of the book is not to provide prospects for applications of BEC in atomic physics, quantum optics or quantum state engineering and therefore the more practically oriented reader might sometimes wonder why exactly an equation is

  7. Supersymmetry is afraid of condensates

    Directory of Open Access Journals (Sweden)

    G. Domokos

    1983-01-01

    Full Text Available Supersymmetry is never broken by pair condensates of chiral superfields: the supersymmetry breaking part of Green's functions satisfies an equation which always has an identically vanishing solution. Hence any phase containing pair condensates is unstable due to its positive vacuum energy.

  8. A Combined DFT and NMR Investigation of the Zinc Organometallic Intermediate Proposed in the Syn-Selective Tandem Chain Extension-Aldol Reaction of β-Keto Esters

    Science.gov (United States)

    Aiken, Karelle S.; Eger, Wilhelm A.; Williams, Craig M.; Spencer, Carley M.

    2012-01-01

    The tandem chain extension-aldol (TCA) reaction of β-keto esters provides a α-substituted γ-keto ester with an average syn:anti selectivity of 10:1. It is proposed that the reaction proceeds via a carbon-zinc bound organometallic intermediate potentially bearing mechanistic similarity to the Reformatsky reaction. Evidence, derived from control Reformatsky reactions and a study of the structure of the TCA intermediate utilizing DFT methods and NMR-spectroscopy, suggests the γ-keto group of the TCA intermediate plays a significant role in diastereoselectivity observed in this reaction. Such coordination effects have design implications for future zinc mediated reactions. PMID:22703563

  9. Curiosities about aldollic reaction used as a key step in the Brazilian synthesis of pteridic acids A and B; Curiosidades sobre a reacao aldolica utilizada como etapa chave na sintese brasileira dos acidos pteridicos A e B

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Luiz C.; Salles Junior, Airton G. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

    2010-07-01

    This work describes an overview of our synthesis of pteridic acids A and B and discloses some interesting results related to the lithium enolate-mediated aldol reaction used as key step to set up the C5-C15 fragment of these natural products. This first example, as far we know, of an aldol reaction between a chiral enolate of a (Z) enone and a chiral aldehyde has driven us to a series of experiments showing the remarkable relation between enolization selectivity and reaction conditions. (author)

  10. Application to processing system using intra-molecular BRET

    Science.gov (United States)

    Otsuji, Tomomi; Okuda-Ashitaka, Emiko; Kojima, Satoshi; Akiyama, Hidehumi; Ito, Seiji; Ohmiya, Yoshihiro

    2003-07-01

    Luciferases are used as the reporter gene for promoter activity, whereas a green fluorescent protein (GFP) is used as marker for cellular function and localization. Recently, bioluminescence resonance energy transfer (BRET) between luciferase and YFP is used for analysis of inter-molecular reaction such as ligand-receptor in the living cells. The neuropeptides nocistatin (NST) and nociceptin/orphanin FQ (Noc/OFQ) are derived from the same precursor protein, while NST exhibits antagonism against Noc/OFQ-actions. In this study, we attempt an intra-molecular BRET system for monitoring dynamic biological process of the production of NST and Noc/OFQ in the living cells. At first, we constructed a fusion protein (Rluc-GFP) covalently linking luciferase (Renilla luciferase; Rluc) to Aequorea GFP as an intra-molecular BRET partner. Furthermore, we inserted constructs of mouse NST and Noc/OFQ (Rluc-m-GFP) or bovine NST and Noc/OFQ (Rluc-b-GFP) containing a proteolytic cleavage motif (Lys-Arg) within Rluc-GFP. When these constructions were transfected into Cos7 cells, all fusion proteins had luciferase activity and specific fluorescence. Luminescence spectra of Rluc-GFP, Rluc-m-GFP and Rluc-b-GFP fusion proteins with DeepBlueC as a substrate showed two peaks centered at 400 nm and 510 nm, whereas Rluc showed one peak centered at 400 nm. These results indicate that the proteolytic cleavage motif inserted fusion proteins between luciferase and GFP are available for intra-molecular BRET systems at first step.

  11. Intramolecular Hydrogen Bonding in (2-Hydroxybenzoyl)benzoylmethane Enol

    DEFF Research Database (Denmark)

    Hansen, Bjarke Knud Vilster; Winther, Morten; Spanget-Larsen, Jens

    2014-01-01

    , and the dienol form of 1,3-dibenzoylacetone. But in these examples the two H-bonds are equivalent, while in the case of OHDBM they are chemically different, involving one enolic and one phenolic hydroxy group. OHDBM is thus an interesting model compound with two competing H-bonds to the same carbonyl group......In the stable enol tautomer of the title compound (OHDBM), one carbonyl group is flanked by two β-hydroxy groups, giving rise to bifold intramolecular H-bonding. A similar situation is found in other β,β'-dihydroxy carbonyl compounds like chrysazin, anthralin, 2,2'-dihydroxybenzophenone...

  12. Recording Intramolecular Mechanics during the Manipulation of a Large Molecule

    Energy Technology Data Exchange (ETDEWEB)

    Moresco, Francesca; Meyer, Gerhard; Rieder, Karl-Heinz; Tang, Hao; Gourdon, Andre; Joachim, Christian

    2001-08-20

    The technique of single atom manipulation by means of the scanning tunneling microscope (STM) applies to the controlled displacement of large molecules. By a combined experimental and theoretical work, we show that in a constant height mode of manipulation the STM current intensity carries detailed information on the internal mechanics of the molecule when guided by the STM tip. Controlling and time following the intramolecular behavior of a large molecule on a surface is the first step towards the design of molecular tunnel-wired nanorobots.

  13. Human ceruloplasmin. Intramolecular electron transfer kinetics and equilibration

    DEFF Research Database (Denmark)

    Farver, O; Bendahl, L; Skov, L K

    1999-01-01

    Pulse radiolytic reduction of disulfide bridges in ceruloplasmin yielding RSSR(-) radicals induces a cascade of intramolecular electron transfer (ET) processes. Based on the three-dimensional structure of ceruloplasmin identification of individual kinetically active disulfide groups and type 1 (T1...... and indeed electron equilibration between T1A and the trinuclear copper center in the domain 1-6 interface takes place with a rate constant of 2.9 +/- 0.6 s(-1). The equilibrium constant is 0.17. Following reduction of T1A Cu(II), another ET process takes place between RSSR(-) and T1B copper(II) of domain 4...

  14. Condenser retubing-criteria manual

    International Nuclear Information System (INIS)

    Impagliazzo, A.M.; Bell, R.J.; Curlett, P.L.; Gordon, H.L.

    1982-05-01

    The objective of this document is to provide engineering assistance to utilities involved in retubing steam surface condensers with corrosion-resistant materials, such as titanium, and the recently developed high alloy pit-resistant steels. Field tests and recent operating experience have shown titanium and at least one of the high alloy pit-resistant steels to be virtually immune to the usual forms of corrosion occurring in steam surface condensers. This, together with the trend toward elimination of copper alloys in the circulating water system, has caused many utilities to retube their condensers with these materials

  15. Bose condensation in (random traps

    Directory of Open Access Journals (Sweden)

    V.A. Zagrebnov

    2009-01-01

    Full Text Available We study a non-interacting (perfect Bose-gas in random external potentials (traps. It is shown that a generalized Bose-Einstein condensation in the random eigenstates manifests if and only if the same occurs in the one-particle kinetic-energy eigenstates, which corresponds to the generalized condensation of the free Bose-gas. Moreover, we prove that the amounts of both condensate densities are equal. This statement is relevant for justification of the Bogoliubov approximation} in the theory of disordered boson systems.

  16. Condensation coefficient of water in a weak condensation state

    International Nuclear Information System (INIS)

    Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

    2008-01-01

    The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

  17. Condensation coefficient of water in a weak condensation state

    Science.gov (United States)

    Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

    2008-07-01

    The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

  18. Efficient, Long-Life Biocidal Condenser Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Environmental control systems for manned lunar and planetary bases will require condensing heat exchangers to control humidity in manned modules. Condensing surfaces...

  19. Condenser assembly system for an appliance

    Energy Technology Data Exchange (ETDEWEB)

    Litch, Andrew David

    2017-10-17

    An appliance includes a compact condenser assembly formed with at least two separately and independently produced wire on tube condensers. Each of the at least two wire on tube condensers has a condenser inlet and a condenser outlet. The at least two wire on tube condensers are at least substantially locked and positioned in a matingly engaged configuration forming a compact condenser assembly. The at least two wire on tube condensers are configured to be operationally connected in at least one of a parallel configuration, a series configuration, a selectable configuration, and a bypass configuration.

  20. Steam generators, turbines, and condensers. Volume six

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    Volume six covers steam generators (How steam is generated, steam generation in a PWR, vertical U-tube steam generators, once-through steam generators, how much steam do steam generators make?), turbines (basic turbine principles, impulse turbines, reaction turbines, turbine stages, turbine arrangements, turbine steam flow, steam admission to turbines, turbine seals and supports, turbine oil system, generators), and condensers (need for condensers, basic condenser principles, condenser arrangements, heat transfer in condensers, air removal from condensers, circulating water system, heat loss to the circulating water system, factors affecting condenser performance, condenser auxiliaries)

  1. Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.

    Science.gov (United States)

    Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B; Butcher, Ray J

    2011-05-07

    A series of selenium derivatives (6-12) of 2-phenylazophenyl have been synthesized using o-lithiation route. The effect of the strength of the intramolecular Se···N interaction on the absorption spectra as well as emission spectra has been studied. The studies suggest that the secondary bonding Se···N interaction give rise to fluorescence, however, the strength of Se···N interaction cannot be directly correlated with the intensity of the fluorescence. TD-DFT calculations show that the main transition involved in the absorption spectra of the compound is the ligand based π-π* type.

  2. Heterocycles by Transition Metals Catalyzed Intramolecular Cyclization of Acetylene Compounds

    International Nuclear Information System (INIS)

    Vizer, S.A.; Yerzhanov, K.B.; Dedeshko, E.C.

    2003-01-01

    Review shows the new strategies in the synthesis of heterocycles, having nitrogen, oxygen and sulfur atoms, via transition metals catalyzed intramolecular cyclization of acetylenic compounds on the data published at the last 30 years, Unsaturated heterocyclic compounds (pyrroles and pyrroline, furans, dihydro furans and benzofurans, indoles and iso-indoles, isoquinolines and isoquinolinones, aurones, iso coumarins and oxazolinone, lactams and lactones with various substitutes in heterocycles) are formed by transition metals, those salts [PdCl 2 , Pd(OAc) 2 , HgCl 2 , Hg(OAc) 2 , Hg(OCOCF 3 ) 2 , AuCl 3 ·2H 2 O, NaAuCl 4 ·2H 2 O, CuI, CuCl], oxides (HgO) and complexes [Pd(OAc) 2 (PPh 3 )2, Pd(PPh 3 ) 4 , PdCl 2 (MeCN) 2 , Pd(OAc ) 2 /TPPTS] catalyzed intramolecular cyclization of acetylenic amines, amides, ethers, alcohols, acids, ketones and βdiketones. More complex hetero polycyclic systems typical for natural alkaloids can to obtain similar. Proposed mechanisms of pyrroles, isoquinolines, iso indoles and indoles, benzofurans and iso coumarins, thiazolopyrimidinones formation are considered. (author)

  3. Excited state intramolecular proton transfer (ESIPT) in dihydroxyphenyl anthracenes.

    Science.gov (United States)

    Wang, Yu-Hsuan; Wan, Peter

    2011-12-01

    The photochemistry of three 9-(dihydroxyphenyl)anthracenes 6-8 was studied in neat CH(3)CN and selected organic solvents, to investigate excited state intramolecular proton transfer (ESIPT) from the phenol to the anthracene moiety. In D(2)O-CH(3)CN mixtures, the observed deuterium exchange of 6-8 is consistent with water-mediated (formal) ESIPT process from the ortho phenolic OH to the 10'-position of the anthracene ring, giving rise to quinone methide (QM) intermediates 12-14. There is no ESIPT for the corresponding methoxy-substituted compounds. Introduction of an extra hydroxyl group onto the phenol ring at different positions led to a range of deuterium exchange quantum yields (Φ = 0.03 to 0.15). In addition to the anticipated ESIPT process to the 10'-position, in neat CH(3)CN and other organic solvents, 6 (but not 7 or 8) undergoes a clean photocyclization to give bridged product 19 in quantitative yield. The mechanism of this unique photocyclization may involve a direct ESIPT or a 1,4-hydrogen transfer from the ortho phenolic OH to the 9'-position of the anthracene ring, generating a zwitterion (20) or diradical (21) intermediate, respectively, followed by ring closure. Fluorescence studies of 6 in various solvents show the existence of both local excited and intramolecular charge transfer states whereas only the former was present for 7 and 8, offering a possible rationalization for the photocyclization pathway.

  4. OPTIMAL EVAPORATING AND CONDENSING TEMPERATURES ...

    African Journals Online (AJOL)

    ORC) in a hot and humid environment. A theoretical procedure is proposed for the determination of the optimal evaporation temperature (OET) and optimal condensing temperature (OCT) of a subcritical ORC plant, which is based on ...

  5. Solar engineering - a condensed course

    Energy Technology Data Exchange (ETDEWEB)

    Broman, Lars

    2011-11-15

    The document represents the material covered in a condensed two-week course focusing on the most important thermal and PV solar energy engineering topics, while also providing some theoretical background.

  6. A new synthesis of enantiomerically pure syn-(S)-β-hydroxy-α-amino acids via asymmetric aldol reactions of aldehydes with a homochiral Ni(II)-glycine/(S)-BPB Schiff base complex

    NARCIS (Netherlands)

    Belokon, Yuri N.; Kochetkov, Konstantin A.; Ikonnikov, Nikolai S.; Strelkova, Tatiana V.; Harutyunyan, Syuzanna R.; Saghiyan, Ashot S.

    2001-01-01

    syn-(S)-β-Hydroxy-α-amino acids were synthesised stereoselectively via elaboration of the asymmetric aldol reactions of aldehydes with a chiral Ni(II)-(S)-BPB/glycine Schiff base complex in the presence of equimolar NaH in THF. The stereoselectivity of the reaction was studied as a function of time,

  7. Condensed Matter Nuclear Science

    Science.gov (United States)

    Takahashi, Akito; Ota, Ken-Ichiro; Iwamura, Yashuhiro

    Preface -- 1. General. Progress in condensed matter nuclear science / A. Takahashi. Summary of ICCF-12 / X. Z. Li. Overview of light water/hydrogen-based low-energy nuclear reactions / G. H. Miley and P. J. Shrestha -- 2. Excess heat and He detection. Development of "DS-reactor" as the practical reactor of "cold fusion" based on the "DS-cell" with "DS-cathode" / Y. Arata and Y.-C. Zhang. Progress in excess of power experiments with electrochemical loading of deuterium in palladium / V. Violante ... [et al.]. Anomalous energy generation during conventional electrolysis / T. Mizuno and Y. Toriyabe. "Excess heat" induced by deuterium flux in palladium film / B. Liu ... [et al.]. Abnormal excess heat observed during Mizuno-type experiments / J.-F. Fauvarque, P. P. Clauzon and G. J.-M. Lallevé. Seebeck envelope calorimetry with a Pd|D[symbol]O + H[symbol]SO[symbol] electrolytic cell / W.-S. Zhang, J. Dash and Q. Wang. Observation and investigation of nuclear fusion and self-induced electric discharges in liquids / A. I. Koldamasov ... [et al.]. Description of a sensitive seebeck calorimeter used for cold fusion studies / E. Storms. Some recent results at ENEA / M. Apicella ... [et al.]. Heat measurement during plasma electrolysis / K. Iizumi ... [et al.]. Effect of an additive on thermal output during electrolysis of heavy water with a palladium cathode / Q. Wang and J. Dash. Thermal analysis of calorimetric systems / L. D'Aulerio ... [et al.]. Surface plasmons and low-energy nuclear reactions triggering / E. Castagna ... [et al.]. Production method for violent TCB jet plasma from cavity / F. Amini. New results and an ongoing excess heat controversy / L. Kowalski ... [et al.] -- 3. Transmutation. Observation of surface distribution of products by X-ray fluorescence spectrometry during D[symbol] gas permeation through Pd Complexes / Y. Iwamura ... [et al.]. Discharge experiment using Pd/CaO/Pd multi-layered cathode / S. Narita ... [et al.]. Producing transmutation

  8. Microsolvation and the Effects of Non-Covalent Interactions on Intramolecular Dynamics

    Science.gov (United States)

    Foguel, Lidor; Vealey, Zachary; Vaccaro, Patrick

    2017-06-01

    Physicochemical processes brought about by non-covalent interactions between neighboring molecules are undeniably of crucial importance in the world around us, being responsible for effects ranging from the subtle (yet precise) control of biomolecular recognition events to the very existence of condensed phases. Of particular interest is the differential ability of distinct non-covalent forces, such as those mediated by dispersion-dominated aryl (π-π) coupling and electrostatically-driven hydrogen bonding, to affect unimolecular transformations by altering potential surface topographies and the nature of reaction coordinates. A concerted experimental and computational investigation of "microsolvation" (solvation at the molecular level) has been undertaken to elucidate the site-specific coupling between solute and solvent degrees of freedom, as well as attendant consequences for the efficiency and pathway of intrinsic proton-transfer dynamics. Targeted species have been synthesized in situ under "cold" supersonic free-jet expansion conditions (T_{rot} ≈ 1-2K) by complexing an active (proton-transfer) substrate with various ligands (e.g., water isotopologs and benzene derivatives) for which competing interaction mechanisms can lead to unique binding motifs. A series of fluorescence-based spectroscopic measurements have been performed on binary adducts formed with the prototypical 6-hydroxy-2-formylfulvene (HFF) system, where a quasi-linear intramolecular O-H...O bond and a zero-point energy that straddles the proton-transfer barrier crest synergistically yield the largest tunneling-induced splitting ever reported for the ground electronic state of an isolated neutral molecule. Such characteristics afford a localized metric for unraveling incipient changes in unimolecular reactivity, with comparison of experimentally observed and quantum-chemical predicted rovibronic landscapes serving to discriminate complexes built upon electrostatic (hydrogen-bonding) and

  9. Reações intramoleculares como modelos não miméticos de catálise enzimática Intramolecular reactions as non mimetic models of enzyme catalysis

    Directory of Open Access Journals (Sweden)

    José Carlos Gesser

    1997-12-01

    Full Text Available This review gives a critical idea on the importance of intramolecular reactions as models for enzymatic catalysis. Intramolecular lactonizations, ester and amide hydrolysis studies result in theories which try to explain the difference between intermolecular, intramolecular and enzyme reactions and rationalize the enhancement promoted by these biological catalyst.

  10. Condensation: the new deal; Condensation: la nouvelle donne

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-06-01

    The principle of condensation boilers is based on the recovery of the latent heat of the steam generated by the combustion of natural gas. This technology was introduced in France at the end of the 80's but failed in its promise because of the complexity of the equipments available at that time. Today, constructors' offer is more mature and reliable and the context has changed. This technology can conciliate three goals: a mastery of energy consumptions, the comfort of the user and the respect of environment. This meeting organized by the research center of Gaz de France (Cegibat), was a good opportunity to makes a status of the market of individual condensation systems in France and in Europe, to present the situation of this technology today and the 10 golden rules for the fitting and maintenance of individual condensation boilers, and to present some technical references, examples and results of today's offer. (J.S.)

  11. Research progress of control of condensate depression for condenser

    Science.gov (United States)

    Liu, Ying; Liang, Run; Li, Fengyu

    2017-08-01

    It is introduced that significance and structure of the condensate depression control system. In accordance with controller devised procedure, we analyze and elaborate how to construct the lumped parameter and dynamic mathematical model which possesses distinct physics significance. Neural network model being called black-box model is also introduced. We analyze and contrast the control technique of condensate depression as conventional PI control, fuzzy PI control and fuzzy control. It is indicated that if the controller of condensate depression were devised inappropriate, while the steam discharged of turbine varying by a large margin, would result in the rotation rate of cooling water circulating pump accelerating at a great lick even to trigger the galloping danger which is less impressive for the units operating safely.

  12. The Nature of the Intramolecular Charge Transfer State in Peridinin

    Science.gov (United States)

    Wagner, Nicole L.; Greco, Jordan A.; Enriquez, Miriam M.; Frank, Harry A.; Birge, Robert R.

    2013-01-01

    Experimental and theoretical evidence is presented that supports the theory that the intramolecular charge transfer (ICT) state of peridinin is an evolved state formed via excited-state bond-order reversal and solvent reorganization in polar media. The ICT state evolves in ICT state are generated via mixing of the “11Bu+” ionic state and the lowest-lying “21Ag–” covalent state. The resulting ICT state is primarily 1Bu+-like in character and exhibits not only a large oscillator strength but an unusually large doubly excited character. In most solvents, two populations exist in equilibrium, one with a lowest-lying ICT ionic state and a second with a lowest-lying “21Ag–” covalent state. The two populations are separated by a small barrier associated with solvent relaxation and cavity formation. PMID:23528091

  13. Intramolecular electron transfer in single-site-mutated azurins

    DEFF Research Database (Denmark)

    Farver, O; Skov, L K; Pascher, T

    1993-01-01

    . Natl. Acad. Sci. U.S.A. 86, 6968-6972]. The RSSR- radical produced in the above reaction was reoxidized in a slower intramolecular electron-transfer process (30-70 s-1 at 298 K) concomitant with a further reduction of the Cu(II) ion. The temperature dependence of the latter rates was determined...... and used to derive information on the possible effects of the mutations. The substitution of residue Phe114, situated on the opposite side of Cu relative to the disulfide, by Ala resulted in a rate increase by a factor of almost 2. By assuming that this effect is only due to an increase in driving force......Single-site mutants of the blue, single-copper protein, azurin, from Pseudomonas aeruginosa were reduced by CO2- radicals in pulse radiolysis experiments. The single disulfide group was reduced directly by CO2- with rates similar to those of the native protein [Farver, O., & Pecht, I. (1989) Proc...

  14. Intramolecular electron transfer in Pseudomonas aeruginosa cd(1) nitrite reductase

    DEFF Research Database (Denmark)

    Farver, Ole; Brunori, Maurizio; Cutruzzolà, Francesca

    2009-01-01

    The cd(1) nitrite reductases, which catalyze the reduction of nitrite to nitric oxide, are homodimers of 60 kDa subunits, each containing one heme-c and one heme-d(1). Heme-c is the electron entry site, whereas heme-d(1) constitutes the catalytic center. The 3D structure of Pseudomonas aeruginosa...... nitrite reductase has been determined in both fully oxidized and reduced states. Intramolecular electron transfer (ET), between c and d(1) hemes is an essential step in the catalytic cycle. In earlier studies of the Pseudomonas stutzeri enzyme, we observed that a marked negative cooperativity...... is controlling this internal ET step. In this study we have investigated the internal ET in the wild-type and His369Ala mutant of P. aeruginosa nitrite reductases and have observed similar cooperativity to that of the Pseudomonas stutzeri enzyme. Heme-c was initially reduced, in an essentially diffusion...

  15. Introduction. Cosmology meets condensed matter.

    Science.gov (United States)

    Kibble, T W B; Pickett, G R

    2008-08-28

    At first sight, low-temperature condensed-matter physics and early Universe cosmology seem worlds apart. Yet, in the last few years a remarkable synergy has developed between the two. It has emerged that, in terms of their mathematical description, there are surprisingly close parallels between them. This interplay has been the subject of a very successful European Science Foundation (ESF) programme entitled COSLAB ('Cosmology in the Laboratory') that ran from 2001 to 2006, itself built on an earlier ESF network called TOPDEF ('Topological Defects: Non-equilibrium Field Theory in Particle Physics, Condensed Matter and Cosmology'). The articles presented in this issue of Philosophical Transactions A are based on talks given at the Royal Society Discussion Meeting 'Cosmology meets condensed matter', held on 28 and 29 January 2008. Many of the speakers had participated earlier in the COSLAB programme, but the strength of the field is illustrated by the presence also of quite a few new participants.

  16. Condensational theory of stationary tornadoes

    International Nuclear Information System (INIS)

    Makarieva, A.M.; Gorshkov, V.G.; Nefiodov, A.V.

    2011-01-01

    Using the Bernoulli integral for air streamline with condensing water vapor a stationary axisymmetric tornado circulation is described. The obtained profiles of vertical, radial and tangential velocities are in agreement with observations for the Mulhall tornado, world's largest on record and longest-lived among the three tornadoes for which 3D velocity data are available. Maximum possible vortex velocities are estimated. -- Highlights: → Water vapor condensation causes a logarithmic drop of air pressure towards tornado center. → The first ever theoretical description of tornado velocities is obtained. → The maximum vortex velocity grows logarithmically with decreasing tornado eye radius. → Air motion with high velocities can only develop in sufficiently large condensation areas.

  17. Scrutinizing the pion condensed phase

    Energy Technology Data Exchange (ETDEWEB)

    Carignano, Stefano; Mammarella, Andrea; Mannarelli, Massimo [INFN, Laboratori Nazionali del Gran Sasso, Assergi (Italy); Lepori, Luca [Universita di Padova, Dipartimento di Fisica e Astronomia, Padova (Italy); Universita dell' Aquila, Dipartimento di Scienze Fisiche e Chimiche, Coppito-L' Aquila (Italy); Pagliaroli, Giulia [INFN, Laboratori Nazionali del Gran Sasso, Assergi (Italy); Gran Sasso Science Institute, L' Aquila (Italy)

    2017-02-15

    When the isospin chemical potential exceeds the pion mass, charged pions condense in the zero-momentum state forming a superfluid. Chiral perturbation theory provides a very powerful tool for studying this phase. However, the formalism that is usually employed in this context does not clarify various aspects of the condensation mechanism and makes the identification of the soft modes problematic. We re-examine the pion condensed phase using different approaches within the chiral perturbation theory framework. As a first step, we perform a low-density expansion of the chiral Lagrangian valid close to the onset of the Bose-Einstein condensation. We obtain an effective theory that can be mapped to a Gross-Pitaevskii Lagrangian in which, remarkably, all the coefficients depend on the isospin chemical potential. The low-density expansion becomes unreliable deep in the pion condensed phase. For this reason, we develop an alternative field expansion deriving a low-energy Lagrangian analog to that of quantum magnets. By integrating out the ''radial'' fluctuations we obtain a soft Lagrangian in terms of the Nambu-Goldstone bosons arising from the breaking of the pion number symmetry. Finally, we test the robustness of the second-order transition between the normal and the pion condensed phase when next-to-leading-order chiral corrections are included. We determine the range of parameters for turning the second-order phase transition into a first-order one, finding that the currently accepted values of these corrections are unlikely to change the order of the phase transition. (orig.)

  18. Asymmetric catalysis in aqueous media: use of metal-chiral crown ethers as efficient chiral Lewis acid catalysts in asymmetric aldol reactions

    Directory of Open Access Journals (Sweden)

    Shu Kobayashi

    2001-01-01

    Full Text Available Metal-chiral crown ether complexes have been developed as efficient chiral Lewis acid catalysts for asymmetric aldol reactions of silyl enol ethers with aldehydes in aqueous media. While many excellent catalytic asymmetric reactions have been developed recently, most of them have to be carried out under strictly anhydrous conditions in organic solvents. This is probably due to the instability of many catalysts and/or intermediates in the presence of even a small amount of water. To address this issue, we searched for metal-crown ether complexes on the basis of our "multi-coordination" hypothesis, and found that lead(II and lanthanide(III catalysts worked well as chiral Lewis acids in aqueous media. To the best of our knowledge, these are the first examples of chiral crown-based Lewis acids that can be successfully used in catalytic asymmetric reactions. The catalysts have been characterized by X-ray diffraction, and their unique structures as chiral catalysts have been revealed. Use of water as a solvent is essential in these asymmetric catalysis, and the role of water on these reactions to explain the high reactivity and selectivity has been suggested. Another important point is that kinetic studies have shown the possibility that these types of crown ether complexes would be suitable as chiral catalysts employed in aqueous media. In addition, although the catalytic asymmetric aldol reactions are one of the most powerful carbon-carbon bond-forming methodologies and several successful examples have been reported, the use of aprotic anhydrous solvents and low reaction temperatures (-78 °C has been needed in almost all successful cases. On the other hand, the present reactions proceeded smoothly at -10-0 °C in water-alcohol solutions while retaining high levels of diastereo- and enantioselectivities.

  19. Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model

    Science.gov (United States)

    Tarumi, Moto; Nakai, Hiromi

    2018-05-01

    This letter proposes an approximate treatment of the harmonic solvation model (HSM) assuming the solute to be a rigid body (RB-HSM). The HSM method can appropriately estimate the Gibbs free energy for condensed phases even where an ideal gas model used by standard quantum chemical programs fails. The RB-HSM method eliminates calculations for intra-molecular vibrations in order to reduce the computational costs. Numerical assessments indicated that the RB-HSM method can evaluate entropies and internal energies with the same accuracy as the HSM method but with lower calculation costs.

  20. The chiral condensate in matter

    International Nuclear Information System (INIS)

    Brockmann, R.; Weise, W.

    1995-01-01

    The change of the chiral condensate in dense matter is discussed. Especially the higher order terms in the density of nuclear matter are evaluated (in the relativistic Brueckner-Hartree-Fock approach). Implications for nuclear physics and relativistic heavy ion collisions are discussed, such as the strong Dirac scalar mean field that results from the density dependence of . (orig.)

  1. KAON CONDENSATION IN NEUTRON STARS.

    Energy Technology Data Exchange (ETDEWEB)

    RAMOS,A.; SCHAFFNER-BIELICH,J.; WAMBACH,J.

    2001-04-24

    We discuss the kaon-nucleon interaction and its consequences for the change of the properties of the kaon in the medium. The onset of kaon condensation in neutron stars under various scenarios as well its effects for neutron star properties are reviewed.

  2. Approaching Bose-Einstein Condensation

    Science.gov (United States)

    Ferrari, Loris

    2011-01-01

    Bose-Einstein condensation (BEC) is discussed at the level of an advanced course of statistical thermodynamics, clarifying some formal and physical aspects that are usually not covered by the standard pedagogical literature. The non-conventional approach adopted starts by showing that the continuum limit, in certain cases, cancels out the crucial…

  3. Modeling of Kerena Emergency Condenser

    Science.gov (United States)

    Bryk, Rafał; Schmidt, Holger; Mull, Thomas; Wagner, Thomas; Ganzmann, Ingo; Herbst, Oliver

    2017-12-01

    KERENA is an innovative boiling water reactor concept equipped with several passive safety systems. For the experimental verification of performance of the systems and for codes validation, the Integral Test Stand Karlstein (INKA) was built in Karlstein, Germany. The emergency condenser (EC) system transfers heat from the reactor pressure vessel (RPV) to the core flooding pool in case of water level decrease in the RPV. EC is composed of a large number of slightly inclined tubes. During accident conditions, steam enters into the tubes and condenses due to the contact of the tubes with cold water at the secondary side. The condensed water flows then back to the RPV due to gravity. In this paper two approaches for modeling of condensation in slightly inclined tubes are compared and verified against experiments. The first approach is based on the flow regime map. Depending on the regime, heat transfer coefficient is calculated according to specific semi-empirical correlation. The second approach uses a general, fully-empirical correlation. The models are developed with utilization of the object-oriented Modelica language and the open-source OpenModelica environment. The results are compared with data obtained during a large scale integral test, simulating loss of coolant accident performed at Integral Test Stand Karlstein (INKA). The comparison shows a good agreement.Due to the modularity of models, both of them may be used in the future in systems incorporating condensation in horizontal or slightly inclined tubes. Depending on his preferences, the modeller may choose one-equation based approach or more sophisticated model composed of several exchangeable semi-empirical correlations.

  4. Modeling of Kerena Emergency Condenser

    Directory of Open Access Journals (Sweden)

    Bryk Rafał

    2017-12-01

    Full Text Available KERENA is an innovative boiling water reactor concept equipped with several passive safety systems. For the experimental verification of performance of the systems and for codes validation, the Integral Test Stand Karlstein (INKA was built in Karlstein, Germany. The emergency condenser (EC system transfers heat from the reactor pressure vessel (RPV to the core flooding pool in case of water level decrease in the RPV. EC is composed of a large number of slightly inclined tubes. During accident conditions, steam enters into the tubes and condenses due to the contact of the tubes with cold water at the secondary side. The condensed water flows then back to the RPV due to gravity. In this paper two approaches for modeling of condensation in slightly inclined tubes are compared and verified against experiments. The first approach is based on the flow regime map. Depending on the regime, heat transfer coefficient is calculated according to specific semi-empirical correlation. The second approach uses a general, fully-empirical correlation. The models are developed with utilization of the object-oriented Modelica language and the open-source OpenModelica environment. The results are compared with data obtained during a large scale integral test, simulating loss of coolant accident performed at Integral Test Stand Karlstein (INKA. The comparison shows a good agreement.Due to the modularity of models, both of them may be used in the future in systems incorporating condensation in horizontal or slightly inclined tubes. Depending on his preferences, the modeller may choose one-equation based approach or more sophisticated model composed of several exchangeable semi-empirical correlations.

  5. Detection of a transient intramolecular hydrogen bond using 1JNH scalar couplings

    Science.gov (United States)

    Xiang, ShengQi; Zweckstetter, Markus

    2014-06-01

    Hydrogen bonds are essential for the structure, stability and folding of proteins. The identification of intramolecular hydrogen bonds, however, is challenging, in particular in transiently folded states. Here we studied the presence of intramolecular hydrogen bonds in the folding nucleus of the coiled-coil structure of the GCN4 leucine zipper. Using one-bond 1JNH spin-spin coupling constants and hydrogen/deuterium exchange, we demonstrate that a transient intramolecular hydrogen bond is present in the partially helical folding nucleus of GCN(16-31). The data demonstrate that 1JNH couplings are a sensitive tool for the detection of transient intramolecular hydrogen bonds in challenging systems where the effective/useable protein concentration is low. This includes peptides at natural abundance but also uniformly labeled biomolecules that are limited to low concentrations because of precipitation or aggregation.

  6. Enantioselective synthesis of almorexant via iridium-catalysed intramolecular allylic amidation

    NARCIS (Netherlands)

    Fananas Mastral, Martin; Teichert, Johannes F.; Fernandez-Salas, Jose Antonio; Heijnen, Dorus; Feringa, Ben L.

    2013-01-01

    An enantioselective synthesis of almorexant, a potent antagonist of human orexin receptors, is presented. The chiral tetrahydroisoquinoline core structure was prepared via iridium-catalysed asymmetric intramolecular allylic amidation. Further key catalytic steps of the synthesis include an oxidative

  7. Dynamics of intramolecular spin exchange interaction of a nitronyl nitroxide diradical in solution and on surfaces

    OpenAIRE

    Lloveras Montserrat, Vega; Badetti, Elena; Veciana Miró, Jaume; Vidal-Gancedo, José

    2016-01-01

    In this paper we report the study of the dynamics of a thermally modulated intramolecular spin exchange interaction of a novel diradical nitronyl nitroxide-substituted disulfide in solution and when it is grafted on a gold surface. The structure of this diradical was designed to have flexible chains leading to intramolecular collisions and hence spin exchange interaction, and with an appropriate binding group to be grafted on the gold surface to study its behavior on the surface. In solution,...

  8. Intramolecular distribution of carbon isotopes in fatty acids

    International Nuclear Information System (INIS)

    von Unruh, G.E.; Hayes, J.M.

    1975-01-01

    It is well known that biochemical reactions fractionate the stable isotopes of carbon, distributing them unevenly among their products. For amino acids and biosynthesized acetate, it has been shown that the isotopes are fractionated on an intramolecular basis, with some carbon positions being enriched in 13 C relative to others. With the goal of eventually determining the extent to which the isotopic distribution pattern in acetate is carried over into alkyl chains, we are working to develop methods for determining isotopic distributions within fatty acids. Because there are no purely instrumental approaches with sufficient precision to allow isotopic measurements on the intact fatty acid, chemical degradation must be applied in order to prepare CO 2 from each position of interest. Kinetic isotope effects during the chemical reactions and vapor pressure isotope effects during sample preparation and handling can significantly affect the results, and must be very carefully controlled and investigated. Thus far, suitable methods have been developed for determination of the isotopic composition of the carboxyl carbon in fatty acids. The isotopic composition of the aliphatic portion of the molecule can then be determined by the difference after the overall 13 C content has been determined by combustion

  9. Intramolecular charge transfer effects on 3-aminobenzoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Stalin, T. [Department of Chemistry, Annamalai University, Annamalainagar, Chidambaram 608 002, Tamil Nadu (India); Rajendiran, N. [Department of Chemistry, Annamalai University, Annamalainagar, Chidambaram 608 002, Tamil Nadu (India)], E-mail: drrajendiran@rediffmail.com

    2006-03-20

    Effect of solvents, buffer solutions of different pH and {beta}-cyclodextrin on the absorption and fluorescence spectra of 3-aminobenzoic acid (3ABA) have been investigated. The solid inclusion complex of 3ABA with {beta}-CD is discussed by UV-Vis, fluorimetry, semiempirical quantum calculations (AM1), FT-IR, {sup 1}H NMR and Scanning Electron Microscope (SEM). The thermodynamic parameters ({delta}H, {delta}G and {delta}S) of the inclusion process are also determined. The experimental results indicated that the inclusion processes is an exothermic and spontaneous. The large Stokes shift emission in solvents with 3ABA are correlated with different solvent polarity scales suggest that, 3ABA molecule is more polar in the S{sub 1} state. Solvent, {beta}-CD studies and excited state dipole moment values confirms that the presence of intramolecular charge transfer (ICT) in 3ABA. Acidity constants for different prototropic equilibria of 3ABA in the S{sub 0} and S{sub 1} states are calculated. {beta}-Cyclodextrin studies shows that 3ABA forms a 1:1 inclusion complex with {beta}-CD. {beta}-CD studies suggest COOH group present in non-polar part and amino group present in hydrophilic part of the {beta}-CD cavity. A mechanism is proposed to explain the inclusion process.

  10. Intramolecular Crosstalk between Catalytic Activities of Receptor Kinases

    KAUST Repository

    Kwezi, Lusisizwe

    2018-01-22

    Signal modulation is important for the growth and development of plants and this process is mediated by a number of factors including physiological growth regulators and their associated signal transduction pathways. Protein kinases play a central role in signaling, including those involving pathogen response mechanisms. We previously demonstrated an active guanylate cyclase (GC) catalytic center in the brassinosteroid insensitive receptor (AtBRI1) within an active intracellular kinase domain resulting in dual enzymatic activity. Here we propose a novel type of receptor architecture that is characterized by a functional GC catalytic center nested in the cytosolic kinase domain enabling intramolecular crosstalk. This may be through a cGMP-AtBRI1 complex forming that may induce a negative feedback mechanism leading to desensitisation of the receptor, regulated through the cGMP production pathway. We further argue that the comparatively low but highly localized cGMP generated by the GC in response to a ligand is sufficient to modulate the kinase activity. This type of receptor therefore provides a molecular switch that directly and/or indirectly affects ligand dependent phosphorylation of downstream signaling cascades and suggests that subsequent signal transduction and modulation works in conjunction with the kinase in downstream signaling.

  11. POTENTIAL DIMETHYLMERCURY CONCENTRATION IN WATER & ORGANIC CONDENSATE

    Energy Technology Data Exchange (ETDEWEB)

    MEACHAM, J.E.

    2004-12-28

    This document bounds potential dimethylmercury concentration in water or organic condensate that might form in ventilation systems or cooler tank regions. Dimethylmercury concentrations were extremely low and would be below drinking water standards in the water condensate.

  12. Some concepts in condensed phase chemical kinetics

    International Nuclear Information System (INIS)

    Adelman, S.A.

    1986-01-01

    Some concepts in condensed phase chemical kinetics which have emerged from a recent rigorous statistical mechanical treatment of condensed phase chemical reaction dynamics (S.A. Adelman, Adv. Chem. Phys.53:61 (1983)) are discussed in simple physical terms

  13. Pion condensation and neutron star dynamics

    International Nuclear Information System (INIS)

    Kaempfer, B.

    1983-01-01

    The question of formation of pion condensate via a phase transition in nuclear matter, especially in the core of neutron stars is reviewed. The possible mechanisms and the theoretical restrictions of pion condensation are summarized. The effects of ultradense equation of state and density jumps on the possible condensation phase transition are investigated. The possibilities of observation of condensation process are described. (D.Gy.)

  14. Asymmetric synthesis of α-amino acids via homologation of Ni(II) complexes of glycine Schiff bases. Part 2: aldol, Mannich addition reactions, deracemization and (S) to (R) interconversion of α-amino acids.

    Science.gov (United States)

    Sorochinsky, Alexander E; Aceña, José Luis; Moriwaki, Hiroki; Sato, Tatsunori; Soloshonok, Vadim

    2013-11-01

    This review provides a comprehensive treatment of literature data dealing with asymmetric synthesis of α-amino-β-hydroxy and α,β-diamino acids via homologation of chiral Ni(II) complexes of glycine Schiff bases using aldol and Mannich-type reactions. These reactions proceed with synthetically useful chemical yields and thermodynamically controlled stereoselectivity and allow direct introduction of two stereogenic centers in a single operation with predictable stereochemical outcome. Furthermore, new application of Ni(II) complexes of α-amino acids Schiff bases for deracemization of racemic α-amino acids and (S) to (R) interconversion providing additional synthetic opportunities for preparation of enantiomerically pure α-amino acids, is also reviewed. Origin of observed diastereo-/enantioselectivity in the aldol, Mannich-type and deracemization reactions, generality and limitations of these methodologies are critically discussed.

  15. Condensed matter analogues of cosmology

    Science.gov (United States)

    Kibble, Tom; Srivastava, Ajit

    2013-10-01

    It is always exciting when developments in one branch of physics turn out to have relevance in a quite different branch. It would be hard to find two branches farther apart in terms of energy scales than early-universe cosmology and low-temperature condensed matter physics. Nevertheless ideas about the formation of topological defects during rapid phase transitions that originated in the context of the very early universe have proved remarkably fruitful when applied to a variety of condensed matter systems. The mathematical frameworks for describing these systems can be very similar. This interconnection has led to a deeper understanding of the phenomena in condensed matter systems utilizing ideas from cosmology. At the same time, one can view these condensed matter analogues as providing, at least in a limited sense, experimental access to the phenomena of the early universe for which no direct probe is possible. As this special issue well illustrates, this remains a dynamic and exciting field. The basic idea is that when a system goes through a rapid symmetry-breaking phase transition from a symmetric phase into one with spontaneously broken symmetry, the order parameter may make different choices in different regions, creating domains that when they meet can trap defects. The scale of those domains, and hence the density of defects, is constrained by the rate at which the system goes through the transition and the speed with which order parameter information propagates. This is what has come to be known as the Kibble-Zurek mechanism. The resultant scaling laws have now been tested in a considerable variety of different systems. The earliest experiments illustrating the analogy between cosmology and condensed matter were in liquid crystals, in particular on the isotropic-to-nematic transition, primarily because it is very easy to induce the phase transition (typically at room temperature) and to image precisely what is going on. This field remains one of the

  16. Charge Screening in a Charged Condensate

    International Nuclear Information System (INIS)

    Gabadadze, Gregory; Rosen, Rachel A.

    2009-01-01

    We consider a highly dense system of helium-4 nuclei and electrons in which the helium-4 nuclei have condensed. We present the condensation mechanism in the framework of low energy effective field theory and discuss the screening of electric charge in the condensate.

  17. Computations for a condenser. Experimental results

    International Nuclear Information System (INIS)

    Walden, Jean.

    1975-01-01

    Computations for condensers are presented with experimental results. The computations are concerned with the steam flux at the condenser input, and inside the tube bundle. Experimental results are given for the flux inside the condenser sleeve and the flow passing through the tube bundle [fr

  18. Direct, nondestructive observation of a Bose condensate

    NARCIS (Netherlands)

    Andrews, M.R.; Mewes, M.O.; van Druten, N.J.; Durfee, D.S.; Kurn, D.M.; Ketterle, W.

    1996-01-01

    The spatial observation of a Bose condensate is reported. Dispersive light scattering was used to observe the separation between the condensed and normal components of the Bose gas inside a magnetic trap. This technique is nondestructive, and about a hundred images of the same condensate can be

  19. Droplet size distribution in condensing flow

    NARCIS (Netherlands)

    Sidin, R.S.R.

    2009-01-01

    In this thesis, the problem of predicting the droplet size distribution in condensing ow is in- vestigated numerically and analytically. The work focuses on two types of problems: one where condensation occurs during the transonic expansion of a vapor-mixture, and a second one where condensation

  20. Modelling of film condensation in presence of non condensable gases

    International Nuclear Information System (INIS)

    Genevieve Geffraye; Dominique Bestion; Vladimir Kalitvianski

    2005-01-01

    Full text of publication follows: This paper presents recent developments in the modelling of the condensation due to heat removal from a wall with a possible presence of hydrogen, nitrogen, or air. This work is mainly concerned with nuclear reactor safety with particular reference to situations related to new reactor design, cold shutdown state and severe accident analysis. Film condensation of steam in presence of nitrogen and helium in a tube has been investigated in the COTURNE experiment in a rather large range of parameters, pressure (from 0.1 to 7 Mpa), heat flux (0.1 to 6 W/cm 2 ), mass fraction of noncondensable gas (0 to 1) and also in presence of superheated steam. The experiment represents a Steam Generator tube of a Pressurised Water Reactor and can simulate both co-current or countercurrent flow of steam and water.The models are implemented in the CATHARE code used for nuclear reactor thermal-hydraulics. The code uses two mass balance equations for liquid and gas, two momentum balance equations for liquid and gas and two energy balance equations for liquid and gas. Additional mass transport equations can be added for each non condensable gas. Heat transfers from wall to liquid film, from liquid to interface and gas to interface are modelled. The liquid film heat transfer coefficient is first investigated in pure saturated steam conditions in the pressure range from 0.1 to 7 Mpa. The CATHARE film condensation model in pure steam conditions is derived from Chen's correlation. Chen proposes a general correlation for the film condensation, covering the wavy-laminar and the turbulent film regimes and taking into account the interfacial friction effect. A large data base of laminar film regime was used including COTURNE data other available data found in the literature. The analysis of these data base suggests an influence of the liquid Reynolds number, according to the Nusselt theory, and also of the Eoetvoes number, with surface tension effects. A

  1. Fundamentals of condensed matter physics

    CERN Document Server

    Cohen, Marvin L

    2016-01-01

    Based on an established course and covering the fundamentals, central areas, and contemporary topics of this diverse field, Fundamentals of Condensed Matter Physics is a much-needed textbook for graduate students. The book begins with an introduction to the modern conceptual models of a solid from the points of view of interacting atoms and elementary excitations. It then provides students with a thorough grounding in electronic structure as a starting point to understand many properties of condensed matter systems - electronic, structural, vibrational, thermal, optical, transport, magnetic and superconductivity - and methods to calculate them. Taking readers through the concepts and techniques, the text gives both theoretically and experimentally inclined students the knowledge needed for research and teaching careers in this field. It features 200 illustrations, 40 worked examples and 150 homework problems for students to test their understanding. Solutions to the problems for instructors are available at w...

  2. Enantioselective Synthesis of α-Methylene-β-hydroxy Carboxylic Acid Derivatives via a Diastereoselective Aldol-β-Elimination Sequence: Application to the C(15)–C(21) Fragment of Tedanolide C

    Science.gov (United States)

    Barth, Roland; Roush, William R.

    2010-01-01

    An enantioselective synthesis of α-methylene-β-hydroxy carboxylic acid derivatives via a highly diastereoselective, one-pot syn-aldol and β-elimination sequence utilizing the chiral β-(phenylselenyl)propionyl imide 15 is described. This new method, which constitutes an alternative to the Baylis-Hillman reaction, has been applied to the synthesis of the C(15)-C(21) fragment of tedanolide C. PMID:20405855

  3. LOFCON-LOFT condenser program

    International Nuclear Information System (INIS)

    Lemmon, E.C.; MacKay, D.B.

    1978-01-01

    LOFCON is a program developed for the LOFT air condenser system contained in the secondary coolant system. Although the basic theory described herein is general, the program given is not--it is specifically for the LOFT configuration. LOFCON is presented in subroutine form so that it may be easily incorporated into a larger program describing the complete secondary side. Specifically LOFCON was written to be incorporated into the detailed CSMP model of the LOFT secondary coolant system simulation

  4. LOFCON-LOFT condenser program

    Energy Technology Data Exchange (ETDEWEB)

    Lemmon, E.C.; MacKay, D.B.

    1978-05-26

    LOFCON is a program developed for the LOFT air condenser system contained in the secondary coolant system. Although the basic theory described herein is general, the program given is not--it is specifically for the LOFT configuration. LOFCON is presented in subroutine form so that it may be easily incorporated into a larger program describing the complete secondary side. Specifically LOFCON was written to be incorporated into the detailed CSMP model of the LOFT secondary coolant system simulation.

  5. Advances in condensed matter optics

    CERN Document Server

    Chen, Liangyao; Jiang, Xunya; Jin, Kuijuan; Liu, Hui; Zhao, Haibin

    2015-01-01

    This book describes some of the more recent progresses and developmentsin the study of condensed matter optics in both theoretic and experimental fields.It will help readers, especially graduate students and scientists who are studying and working in the nano-photonic field, to understand more deeply the characteristics of light waves propagated in nano-structure-based materials with potential applications in the future.

  6. Accelerators for condensed matter research

    International Nuclear Information System (INIS)

    Williams, P.R.

    1990-01-01

    The requirement for high energy, high luminosity beams has stimulated the science and engineering of accelerators to a point where they open up opportunities for new areas of scientific application to benefit from the advances driven by particle physics. One area of great importance is the use of electron or positron storage rings as a source of intense VUV or X-ray synchrotron radiation. An accelerator application that has grown in prominence over the last 10 years has been spallation neutron sources. Neutrons offer an advantage over X-rays as a condensed matter probe because the neutron energy is usually of the same order as the room temperature thermal energy fluctuations in the sample being studied. Another area in which accelerators are playing an increasingly important role in condensed matter research concerns the use of Mu mesons, Muons, as a probe. This paper also presents a description of the ISIS Spallation Neutron Source. The design and status of the facility are described, and examples are given of its application to the study of condensed matter. (N.K.)

  7. Theory of laminar film condensation

    CERN Document Server

    Fujii, Tetsu

    1991-01-01

    Since the petroleum crisis in the 1970s, a lot of effort to save energy was made in industry, and remarkable achievements have been made. In the research and development concerning thermal energy, however, it was clar­ ified that one of the most important problems was manufacturing con­ densing systems with smaller size and higher performance. To solve this problem we need a method which synthesizes selections_ of the type of con­ denser, cooling tube and its arrangement, assessment of fouling on the cooling surfaces, consideration of transient characteristics of a condenser, etc. The majority of effort, however, has been to devise a surface element which enhances the heat transfer coefficient in condensation of a single or multicomponent vapor. Condensation phenomena are complexly affected by a lot of physical property values, and accordingly the results of theo­ retical research are expressed with several dimensionless parameters. On the other hand, the experimental research is limited to those with som...

  8. Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: preparation of pyrrolizine by intramolecular capture of intermediates with alkenes or alkynes.

    Science.gov (United States)

    Wang, Bao-Juan; Xue, Ping; Gu, Peiming

    2015-02-11

    The preparation of substituted pyrrolizines through the Schmidt reaction of acyl chlorides with alkyl azides has been realized. Intramolecular capture of the isocyanate ion and N-acyliminium ion intermediates from the Schmidt process with alkene or alkyne units was achieved, and the efficiency of the conversion with respect to ring construction and bond formation was demonstrated.

  9. Dynamics of the excited state intramolecular charge transfer

    International Nuclear Information System (INIS)

    Joo, T.; Kim, C.H.

    2006-01-01

    The 6-dodecanoyl-2-dimethylaminonaphtalene (laurdan), a derivative of 6-propanoyl- 2-dimethylaminonaphthalene (prodan), has been used as a fluorescent probe in cell imaging, especially in visualizing the lipid rafts by the generalized polarization (GP) images, where GP=(I 440 -I 490 )/(I 440 +I 490 ) with I being the fluorescence intensity. The fluorescence spectrum of laurdan is sensitive to its dipolar environment due to the intramolecular charge transfer (ICT) process in S 1 state, which results in a dual emission from the locally excited (LE) and the ICT states. The ICT process and the solvation of the ICT state are very sensitive to the dipolar nature of the environment. In this work, the ICT of laurdan in ethanol has been studied by femtosecond time resolved fluorescence (TRF), especially TRF spectra measurement without the conventional spectral reconstruction method. TRF probes the excited states exclusively, a unique advantage over the pump/probe transient absorption technique, although time resolution of the TRF is generally lower than transient absorption and the TRF spectra measurement was possible only though the spectral reconstruction. Over the years, critical advances in TRF technique have been made in our group to achieve <50 fs time resolution with direct full spectra measurement capability. Detailed ICT and the subsequent solvation processes can be visualized unambiguously from the TRF spectra. Fig. 1 shows the TRF spectra of laurdan in ethanol at several time delays. Surprisingly, two bands at 433 and 476 nm are clearly visible in the TRF spectra of laurdan even at T = 0 fs. As time increases, the band at 476 nm shifts to the red while its intensity increases. The band at 433 nm also shifts slightly to the red, but loses intensity as time increases. The intensity of the 476 nm band reaches maximum at around 5 ps, where it is roughly twice as intense as that at 0 fs, and stays constant until lifetime decay is noticeable. The spectra were fit by

  10. New fast organic scintillators using intramolecular bromine quenching

    Science.gov (United States)

    Berlman, I. B.; Lutz, S. S.; Flournoy, J. M.; Ashford, C. B.; Franks, L. A.; Lyons, P. B.

    1984-08-01

    Organic scintillator solutions with decay times as fast as 500 ps and with relatively high conversion efficiencies have been developed. The intramolecular quenching was achieved through the novel approach of adding a bromine atom to the 3- or 4-position of para-oligophenylenes, the fluorescent solutes in these binary solutions. The bromine serves to enhance singlet-to-triplet intersystem crossing in the chromophore, causing a reduction in the scintillation yield and a conconitant reduction in the decay time. The very fast value given above probably also involves some intermolecular self-quenching at high concentration. In addition, the bromine reduces the symmetry of the molecules, thereby increasing their solubility. Finally, an alkyl chain on the opposite para position further increases the solubility and also increases the immunity of the chromophore to quenching. The following solutes were studied in binary liquid solutions and to a limited extent in plastics: 4-bromo-4″-(5-hexadecyl)-p-terphenyl: (4-BHTP), 3-bromo-4″-(5-hexadecyl)-p-terphenyl: (3-BHTP), 4-bromo-p-terphenyl: (4-BTP), 3-bromo-p-terphenyl: (3-BTP), 4-bromo-4‴-(5-hexadecyl)-p-quaterphenyl: (4-BHQP). The decay times for binary liquid solutions in toluene (at the indicated concentrations) were 0.51 ns for 4-BHTP (0.14 M), 0.75 ns for 3-BHTP (0.14 M), 0.57 ns for 3-BTP (0.14 M), and 1.3 ns for 4-BHQP (0.06 M). Binary plastics with 4-BHTP as the solute in concentrations up to 0.14 M were cast in polystyrene. The shortest decay time, 0.40 ns, was measured for the 0.14 M concentration. A plastic scintillator containing 3-BTP (0.11 M in polystyrene) had a decay time of 0.85 ns. These results compare favorably with the plastic scintillator BC-422 whose decay time is about 1.4 ns.

  11. New fast organic scintillators using intramolecular bromine quenching

    International Nuclear Information System (INIS)

    Berlman, I.B.; Lutz, S.S.; Flournoy, J.M.; Ashford, C.B.; Franks, L.A.

    1984-01-01

    Organic scintillator solutions with decay times as fast as 500 ps and with relatively high conversion efficiencies have been developed. The intramolecular quenching was achieved through the novel approach of adding a bromine atom to the 3- or 4-position of para-oligophenylenes, the fluorescent solutes in these binary solutions. The bromine serves to enhance singlet-to-triplet intersystem crossing in the chromophore, causing a reduction in the scintillation yield and a concomitant reduction in the decay time. The very fast value given above probably also involves some intermolecular self-quenching at high concentration. In addition, the bromine reduces the symmetry of the molecules, thereby increasing their solubility. Finally, an alkyl chain on the opposite para position further increases the solubility and also increases the immunity of the chromophore to quenching. The decay times for binary liquid solutions in toluene (at the indicated concentrations) were 0.51 ns for 4-BHTP (0.14 M), 0.75 ns for 3-BHTP (0.14 M), 0.57 ns for 3-BTP (0.14 M), and 1.3 ns for 4-BHQP (0.06 M). Binary plastics with 4-BHTP as the solute in concentrations up to 0.14 M were cast in polystyrene. The shortest decay time, 0.40 ns, was measured for the 0.14 M concentration. A plastic scintillator containing 3-BTP (0.11 M in polystyrene) had a decay time of 0.85 ns. These results compare favorably with the plastic scintillator BC-422 whose decay time is about 1.4 ns. (orig./HSI)

  12. Universal Themes of Bose-Einstein Condensation

    Science.gov (United States)

    Proukakis, Nick P.; Snoke, David W.; Littlewood, Peter B.

    2017-04-01

    Foreword; List of contributors; Preface; Part I. Introduction: 1. Universality and Bose-Einstein condensation: perspectives on recent work D. W. Snoke, N. P. Proukakis, T. Giamarchi and P. B. Littlewood; 2. A history of Bose-Einstein condensation of atomic hydrogen T. Greytak and D. Kleppner; 3. Twenty years of atomic quantum gases: 1995-2015 W. Ketterle; 4. Introduction to polariton condensation P. B. Littlewood and A. Edelman; Part II. General Topics: Editorial notes; 5. The question of spontaneous symmetry breaking in condensates D. W. Snoke and A. J. Daley; 6. Effects of interactions on Bose-Einstein condensation R. P. Smith; 7. Formation of Bose-Einstein condensates M. J. Davis, T. M. Wright, T. Gasenzer, S. A. Gardiner and N. P. Proukakis; 8. Quenches, relaxation and pre-thermalization in an isolated quantum system T. Langen and J. Schmiedmayer; 9. Ultracold gases with intrinsic scale invariance C. Chin; 10. Berezinskii-Kosterlitz-Thouless phase of a driven-dissipative condensate N. Y. Kim, W. H. Nitsche and Y. Yamamoto; 11. Superfluidity and phase correlations of driven dissipative condensates J. Keeling, L. M. Sieberer, E. Altman, L. Chen, S. Diehl and J. Toner; 12. BEC to BCS crossover from superconductors to polaritons A. Edelman and P. B. Littlewood; Part III. Condensates in Atomic Physics: Editorial notes; 13. Probing and controlling strongly correlated quantum many-body systems using ultracold quantum gases I. Bloch; 14. Preparing and probing chern bands with cold atoms N. Goldman, N. R. Cooper and J. Dalibard; 15. Bose-Einstein condensates in artificial gauge fields L. J. LeBlanc and I. B. Spielman; 16. Second sound in ultracold atomic gases L. Pitaevskii and S. Stringari; 17. Quantum turbulence in atomic Bose-Einstein condensates N. G. Parker, A. J. Allen, C. F. Barenghi and N. P. Proukakis; 18. Spinor-dipolar aspects of Bose-Einstein condensation M. Ueda; Part IV. Condensates in Condensed Matter Physics: Editorial notes; 19. Bose

  13. Condensation on slippery asymmetric bumps

    Science.gov (United States)

    Park, Kyoo-Chul; Kim, Philseok; Grinthal, Alison; He, Neil; Fox, David; Weaver, James C.; Aizenberg, Joanna

    2016-03-01

    Controlling dropwise condensation is fundamental to water-harvesting systems, desalination, thermal power generation, air conditioning, distillation towers, and numerous other applications. For any of these, it is essential to design surfaces that enable droplets to grow rapidly and to be shed as quickly as possible. However, approaches based on microscale, nanoscale or molecular-scale textures suffer from intrinsic trade-offs that make it difficult to optimize both growth and transport at once. Here we present a conceptually different design approach—based on principles derived from Namib desert beetles, cacti, and pitcher plants—that synergistically combines these aspects of condensation and substantially outperforms other synthetic surfaces. Inspired by an unconventional interpretation of the role of the beetle’s bumpy surface geometry in promoting condensation, and using theoretical modelling, we show how to maximize vapour diffusion fluxat the apex of convex millimetric bumps by optimizing the radius of curvature and cross-sectional shape. Integrating this apex geometry with a widening slope, analogous to cactus spines, directly couples facilitated droplet growth with fast directional transport, by creating a free-energy profile that drives the droplet down the slope before its growth rate can decrease. This coupling is further enhanced by a slippery, pitcher-plant-inspired nanocoating that facilitates feedback between coalescence-driven growth and capillary-driven motion on the way down. Bumps that are rationally designed to integrate these mechanisms are able to grow and transport large droplets even against gravity and overcome the effect of an unfavourable temperature gradient. We further observe an unprecedented sixfold-higher exponent of growth rate, faster onset, higher steady-state turnover rate, and a greater volume of water collected compared to other surfaces. We envision that this fundamental understanding and rational design strategy can be

  14. Quantum tunnelling in condensed media

    CERN Document Server

    Kagan, Yu

    1992-01-01

    The essays in this book deal with of the problem of quantum tunnelling and related behavior of a microscopic or macroscopic system, which interacts strongly with an ""environment"" - this being some form of condensed matter. The ""system"" in question need not be physically distinct from its environment, but could, for example, be one particular degree of freedom on which attention is focussed, as in the case of the Josephson junction studied in several of the papers. This general problem has been studied in many hundreds, if not thousands, of articles in the literature, in contexts as diverse

  15. Conductance and activation energy for electron transport in series and parallel intramolecular circuits.

    Science.gov (United States)

    Hsu, Liang-Yan; Wu, Ning; Rabitz, Herschel

    2016-11-30

    We investigate electron transport through series and parallel intramolecular circuits in the framework of the multi-level Redfield theory. Based on the assumption of weak monomer-bath couplings, the simulations depict the length and temperature dependence in six types of intramolecular circuits. In the tunneling regime, we find that the intramolecular circuit rule is only valid in the weak monomer coupling limit. In the thermally activated hopping regime, for circuits based on two different molecular units M a and M b with distinct activation energies E act,a > E act,b , the activation energies of M a and M b in series are nearly the same as E act,a while those in parallel are nearly the same as E act,b . This study gives a comprehensive description of electron transport through intramolecular circuits from tunneling to thermally activated hopping. We hope that this work can motivate additional studies to design intramolecular circuits based on different types of building blocks, and to explore the corresponding circuit laws and the length and temperature dependence of conductance.

  16. Accounting for intra-molecular vibrational modes in open quantum system description of molecular systems.

    Science.gov (United States)

    Roden, Jan; Strunz, Walter T; Whaley, K Birgitta; Eisfeld, Alexander

    2012-11-28

    Electronic-vibrational dynamics in molecular systems that interact with an environment involve a large number of degrees of freedom and are therefore often described by means of open quantum system approaches. A popular approach is to include only the electronic degrees of freedom into the system part and to couple these to a non-Markovian bath of harmonic vibrational modes that is characterized by a spectral density. Since this bath represents both intra-molecular and external vibrations, it is important to understand how to construct a spectral density that accounts for intra-molecular vibrational modes that couple further to other modes. Here, we address this problem by explicitly incorporating an intra-molecular vibrational mode together with the electronic degrees of freedom into the system part and using the Fano theory for a resonance coupled to a continuum to derive an "effective" bath spectral density, which describes the contribution of intra-molecular modes. We compare this effective model for the intra-molecular mode with the method of pseudomodes, a widely used approach in simulation of non-Markovian dynamics. We clarify the difference between these two approaches and demonstrate that the respective resulting dynamics and optical spectra can be very different.

  17. On scalar condensate baryogenesis model

    International Nuclear Information System (INIS)

    Kiriloval, D.P.; Valchanov, T.V.

    2004-09-01

    We discuss the scalar field condensate baryogenesis model, which is among the baryogenesis scenarios preferred today, compatible with inflation. According to that model a complex scalar field φ, carrying baryon charge B≠0 is generated at inflation. The baryon excess in the Universe results from the φ decay at later stages of Universe evolution (T 15 GeV). We updated the model's parameters range according to the current observational cosmological constraints and analyzed numerically φ evolution after the inflationary stage till its decay φ → qq-barlγ. During that period oscillated with a decreasing amplitude due to Universe expansion and particle production processes due to the coupling of the field to fermions gφf 1 f 2 . It was shown that particle creation processes play an essential role for evolution and its final value. It may lead to a considerable decrease of the field's amplitude for large g and/or large H values, which reflects finally into strong damping of the baryon charge carried by the condensate. The analysis suggests that for a natural range of the model's parameters the observed value of the baryon asymmetry can be obtained and the model can serve as a successful baryogenesis model, compatible with inflation. (author)

  18. Condensation induced water hammer safety

    Energy Technology Data Exchange (ETDEWEB)

    Gintner, M.A.

    1997-03-10

    Condensation induced water hammer events in piping systems can cause catastrophic steam system failures which can result in equipment damage, personal injury, and even death. As an industry, we have learned to become accustomed to the ''banging'' that we often hear in our steam piping systems, and complacent in our actions to prevent it. It is unfortunate that lives are lost needlessly, as this type of water hammer event is preventable if one only applies some basic principles when operating and maintaining their steam systems. At the U. S. Department of Energy's Hanford Site where I work, there was one such accident that occurred in 1993 which took the life of a former co-worker and friend of mine. Hanford was established as part of the Manhattan Project during World War II. it is a 560 square mile complex located along the banks of the Columbia River in Southeastern Washington State. For almost 45 years, hanford's mission was to produce weapons grade plutonium for our nations defense programs. Today, Hanford no longer produces plutonium, but is focused on site clean-up and economic diversification. Hanford still uses steam for heating and processing activities, utilizing over 20 miles of piping distribution systems similar to those found in industry. Although these aging systems are still sound, they cannot stand up to the extreme pressure pulses developed by a condensation induced water hammer.

  19. Muonic Chemistry in Condensed Matter

    CERN Multimedia

    2002-01-01

    When polarized muons (@m|+) stop in condensed matter, muonic atoms are formed in the final part of their range, and direct measurements of the @m|+-spin polarization are possible via the asymmetric decay into positrons. The hyperfine interaction determines the characteristic precession frequencies of the @m|+ spin in muonium, @w(Mu). Such frequencies can be altered by the interactions of the muonium's electron spin with the surrounding medium. The measurement of @w(Mu) in a condensed system is known often to provide unique information regarding the system. \\\\ \\\\ In particular, the use of muonium atoms as a light isotope of the simple reactive radical H|0 allows the investigation of fast reactions of radicals over a typical time scale 10|-|9~@$<$~t~@$<$~10|-|5~sec, which is determined by the instrumental resolution at one end and by the @m|+ lifetime at the other. \\\\ \\\\ In biological macromolecules transient radicals, such as the constituents of DNA itself, exist on a time scale of sub-microseconds, acco...

  20. Magnon condensation and spin superfluidity

    Science.gov (United States)

    Bunkov, Yury M.; Safonov, Vladimir L.

    2018-04-01

    We consider the Bose-Einstein condensation (BEC) of quasi-equilibrium magnons which leads to spin superfluidity, the coherent quantum transfer of magnetization in magnetic material. The critical conditions for excited magnon density in ferro- and antiferromagnets, bulk and thin films, are estimated and discussed. It was demonstrated that only the highly populated region of the spectrum is responsible for the emergence of any BEC. This finding substantially simplifies the BEC theoretical analysis and is surely to be used for simulations. It is shown that the conditions of magnon BEC in the perpendicular magnetized YIG thin film is fulfillied at small angle, when signals are treated as excited spin waves. We also predict that the magnon BEC should occur in the antiferromagnetic hematite at room temperature at much lower excited magnon density compared to that of ferromagnetic YIG. Bogoliubov's theory of Bose-Einstein condensate is generalized to the case of multi-particle interactions. The six-magnon repulsive interaction may be responsible for the BEC stability in ferro- and antiferromagnets where the four-magnon interaction is attractive.

  1. Condensation induced water hammer safety

    International Nuclear Information System (INIS)

    Gintner, M.A.

    1997-01-01

    Condensation induced water hammer events in piping systems can cause catastrophic steam system failures which can result in equipment damage, personal injury, and even death. As an industry, we have learned to become accustomed to the ''banging'' that we often hear in our steam piping systems, and complacent in our actions to prevent it. It is unfortunate that lives are lost needlessly, as this type of water hammer event is preventable if one only applies some basic principles when operating and maintaining their steam systems. At the U. S. Department of Energy's Hanford Site where I work, there was one such accident that occurred in 1993 which took the life of a former co-worker and friend of mine. Hanford was established as part of the Manhattan Project during World War II. it is a 560 square mile complex located along the banks of the Columbia River in Southeastern Washington State. For almost 45 years, hanford's mission was to produce weapons grade plutonium for our nations defense programs. Today, Hanford no longer produces plutonium, but is focused on site clean-up and economic diversification. Hanford still uses steam for heating and processing activities, utilizing over 20 miles of piping distribution systems similar to those found in industry. Although these aging systems are still sound, they cannot stand up to the extreme pressure pulses developed by a condensation induced water hammer

  2. Bio-oil fractionation and condensation

    Science.gov (United States)

    Brown, Robert C; Jones, Samuel T; Pollard, Anthony

    2013-07-02

    A method of fractionating bio-oil vapors which involves providing bio-oil vapors comprising bio-oil constituents is described. The bio-oil vapors are cooled in a first stage which comprises a condenser having passages for the bio-oil separated by a heat conducting wall from passages for a coolant. The coolant in the condenser of the first stage is maintained at a substantially constant temperature, set at a temperature in the range of 75 to 100.degree. C., to condense a first liquid fraction of liquefied bio-oil constituents in the condenser of the first stage. The first liquid fraction of liquified bio-oil constituents from the condenser in the first stage is collected. Also described are steps for subsequently recovering further liquid fractions of liquefied bio-oil constituents. Particular compositions of bio-oil condensation products are also described.

  3. The physics of exciton-polariton condensates

    CERN Document Server

    Lagoudakis, Konstantinos

    2013-01-01

    In 2006 researchers created the first polariton Bose-Einstein condensate at 19K in the solid state. Being inherently open quantum systems, polariton condensates open a window into the unpredictable world of physics beyond the “fifth state of matter”: the limited lifetime of polaritons renders polariton condensates out-of-equilibrium and provides a fertile test-bed for non-equilibrium physics. This book presents an experimental investigation into exciting features arising from this non-equilibrium behavior. Through careful experimentation, the author demonstrates the ability of polaritons to synchronize and create a single energy delocalized condensate. Under certain disorder and excitation conditions the complete opposite case of coexisting spatially overlapping condensates may be observed. The author provides the first demonstration of quantized vortices in polariton condensates and the first observation of fractional vortices with full phase and amplitude characterization. Finally, this book investigate...

  4. THE STABILITY OF VAPOR CONDENSATION EQUILIBRIUM

    OpenAIRE

    SHIMIN ZHANG

    2005-01-01

    The system must get across an energy peak of unstable equilibrium during the condensation of pure vapor; as the supersaturated extent of vapor increases and the temperature decreases, the energy peak shortens and vapor condensation becomes easier. The system must get across an energy peak of unstable equilibrium first, and then get into an energy valley of stable equilibrium during the condensation of impure vapor; as the partial pressure of vapor decreases, the energy peak becomes taller, th...

  5. Nonlinear behavior of the radiative condensation instability

    International Nuclear Information System (INIS)

    McCarthy, D.; Drake, J.F.

    1991-01-01

    An investigation of the nonlinear behavior of the radiative condensation instability is presented in a simple one-dimensional magnetized plasma. It is shown that the radiative condensation is typically a nonlinear instability---the growth of the instability is stronger once the disturbance reaches finite amplitude. Moreover, classical parallel thermal conduction is insufficient by itself to saturate the instability. Radiative collapse continues until the temperature in the high density condensation falls sufficiently to reduce the radiation rate

  6. Physics of hollow Bose-Einstein condensates

    OpenAIRE

    Padavić, Karmela; Sun, Kuei; Lannert, Courtney; Vishveshwara, Smitha

    2016-01-01

    Bose-Einstein condensate shells, while occurring in ultracold systems of coexisting phases and potentially within neutron stars, have yet to be realized in isolation on Earth due to the experimental challenge of overcoming gravitational sag. Motivated by the expected realization of hollow condensates by the space-based Cold Atomic Laboratory in microgravity conditions, we study a spherical condensate undergoing a topological change from a filled sphere to a hollow shell. We argue that the col...

  7. Advances in modelling of condensation phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W.S.; Zaltsgendler, E. [Ontario Hydro Nuclear, Toronto (Canada); Hanna, B. [Atomic Energy of Canada Limited, Pinawa, Manitoba (Canada)

    1997-07-01

    The physical parameters in the modelling of condensation phenomena in the CANDU reactor system codes are discussed. The experimental programs used for thermal-hydraulic code validation in the Canadian nuclear industry are briefly described. The modelling of vapour generation and in particular condensation plays a key role in modelling of postulated reactor transients. The condensation models adopted in the current state-of-the-art two-fluid CANDU reactor thermal-hydraulic system codes (CATHENA and TUF) are described. As examples of the modelling challenges faced, the simulation of a cold water injection experiment by CATHENA and the simulation of a condensation induced water hammer experiment by TUF are described.

  8. Strangeness condensation and ''clearing'' of the vacuum

    International Nuclear Information System (INIS)

    Brown, G.E.; Kubodera, Kuniharu; Rho, M.; State Univ. of New York, Stony Brook

    1987-01-01

    We show that a substantial amount of strange quark-antiquark pair condensates in the nucleon required by the πN sigma term implies that kaons could condense in nuclear matter at a density about three times that of normal nuclear matter. This phenomenon can be understood as the ''cleansing'' of qanti q condensates from the QCD vacuum by a dense nuclear matter, resulting in a (partial) restoration of the chiral symmetry explicitly broken in the vacuum. It is suggested that the condensation signals a new phase distinct from that of quark plasma and that of ordinary dense hadronic matter. (orig.)

  9. Surprisingly Mild Enolate-Counterion-Free Pd(0)-Catalyzed Intramolecular Allylic Alkylations

    DEFF Research Database (Denmark)

    Madec, David; Prestat, Guillaume; Martini, Elisabetta

    2005-01-01

    Palladium-catalyzed intramolecular allylic alkylations of unsaturated EWG-activated amides can take place under phase-transfer conditions or in the presence of a crown ether. These new reaction conditions are milder and higher yielding than those previously reported. A rationalization for such an......Palladium-catalyzed intramolecular allylic alkylations of unsaturated EWG-activated amides can take place under phase-transfer conditions or in the presence of a crown ether. These new reaction conditions are milder and higher yielding than those previously reported. A rationalization...

  10. Gold versus silver catalyzed intramolecular hydroarylation reactions of [(3-arylprop-2-ynyl)oxy]benzene derivatives.

    Science.gov (United States)

    Arcadi, Antonio; Blesi, Federico; Cacchi, Sandro; Fabrizi, Giancarlo; Goggiamani, Antonella; Marinelli, Fabio

    2012-12-28

    The scope and the generality of gold versus silver catalyzed intramolecular hydroarylation reactions of 3-[(3-arylprop-2-ynyl)oxy]benzene derivatives in terms of rings substitution were investigated. Only products deriving from 6-endo cyclization were exclusively formed. The features of substituents had a considerable effect on the reaction outcome in the presence of silver catalysis, whereas gold catalysis revealed a unique blend of reactivity and selectivity and represented the only choice for the intramolecular hydroarylation reaction of the starting substrates bearing electron deficient arenes.

  11. The effect of intramolecular quantum modes on free energy relationships for electron transfer reactions

    DEFF Research Database (Denmark)

    Ulstrup, Jens; Jortner, Joshua

    1975-01-01

    -frequency intramolecular degrees of feedom on the free energy relationship for series of closely related reactions was investigated for various model systems involving displacement of potential energy surfaces, frequency shift, and anharmonicity effects. The free energy plots are generally found to pass through a maximum...... and to be asymmetric with a slower decrease in the transition probability with increasing energy of reaction. For high-frequency intramolecular modes this provides a rationalization of the experimental observation of ''activationless'' regions. Isotope effects are discussed as also are the oscillatory free energy...

  12. Influence of intramolecular and intermolecular hydrogen bonding on the fluorescence decay time of indigo derivatives

    International Nuclear Information System (INIS)

    Schneider, S.; Lill, E.; Hefferle, P.; Doerr, F.

    1981-01-01

    It is well known that both intramolecular and intermolecular hydrogen bonding can lead to drastic changes in the lifetime of the first excited singlet state. By employing a synchronously pumped, mode-locked dye-laser for excitation in connection with a continuously operated streak camera for detection, the solvent-dependent fluorescence decay times of several indigo derivatives were determined with high temporal resolution (approx. 5 ps with deconvolution). It is found that in indigo dyes intramolecular hydrogen bonding gives rise to a strong fluorescence quenching; intermolecular hydrogen bonding can also provide a channel for fast radiationless deactivation in those derivatives in which the former are not present. (author)

  13. ENVIRONMENTAL TECHNOLOGY VERIFICATION REPORT: NEW CONDENSATOR, INC.--THE CONDENSATOR DIESEL ENGINE RETROFIT CRANKCASE VENTILATION SYSTEM

    Science.gov (United States)

    EPA's Environmental Technology Verification Program has tested New Condensator Inc.'s Condensator Diesel Engine Retrofit Crankcase Ventilation System. Brake specific fuel consumption (BSFC), the ratio of engine fuel consumption to the engine power output, was evaluated for engine...

  14. Quasiparticles in condensed matter systems

    Science.gov (United States)

    Wölfle, Peter

    2018-03-01

    Quasiparticles are a powerful concept of condensed matter quantum theory. In this review, the appearence and the properties of quasiparticles are presented in a unifying perspective. The principles behind the existence of quasiparticle excitations in both quantum disordered and ordered phases of fermionic and bosonic systems are discussed. The lifetime of quasiparticles is considered in particular near a continuous classical or quantum phase transition, when the nature of quasiparticles on both sides of a transition into an ordered state changes. A new concept of critical quasiparticles near a quantum critical point is introduced, and applied to quantum phase transitions in heavy fermion metals. Fractional quasiparticles in systems of restricted dimensionality are reviewed. Dirac quasiparticles emerging in so-called Dirac materials are discussed. The more recent discoveries of topologically protected chiral quasiparticles in topological matter and Majorana quasiparticles in topological superconductors are briefly reviewed.

  15. Possibility of removing condensate and scattered oil from gas-condensate field during bed flooding

    Energy Technology Data Exchange (ETDEWEB)

    Belkina, N.A.; Yagubov, M.S.

    1984-01-01

    The problem is set of evaluating the possible removal from the bed of scattered oil and condensate during flooding of the bed. For this purpose, an experimental study was made of the displacement by water from the porous medium of the oil and condensate saturating it. The obtained experimental results permit evaluation of the possible removal from the gas-condensate bed of scattered oil and condensate during flooding of the bed.

  16. Statistical physics and condensed matter

    International Nuclear Information System (INIS)

    2003-01-01

    This document is divided into 4 sections: 1) General aspects of statistical physics. The themes include: possible geometrical structures of thermodynamics, the thermodynamical foundation of quantum measurement, transport phenomena (kinetic theory, hydrodynamics and turbulence) and out of equilibrium systems (stochastic dynamics and turbulence). The techniques involved here are typical of applied analysis: stability criteria, mode decomposition, shocks and stochastic equations. 2) Disordered, glassy and granular systems: statics and dynamics. The complexity of the systems can be studied through the structure of their phase space. The geometry of this phase space is studied in several works: the overlap distribution can now be computed with a very high precision; the boundary energy between low lying states does not behave like in ordinary systems; and the Edward's hypothesis of equi-probability of low lying metastable states is invalidated. The phenomenon of aging, characteristic of glassy dynamics, is studied in several models. Dynamics of biological systems or of fracture is shown to bear some resemblance with that of disordered systems. 3) Quantum systems. The themes include: mesoscopic superconductors, supersymmetric approach to strongly correlated electrons, quantum criticality and heavy fermion compounds, optical sum rule violation in the cuprates, heat capacity of lattice spin models from high-temperature series expansion, Lieb-Schultz-Mattis theorem in dimension larger than one, quantum Hall effect, Bose-Einstein condensation and multiple-spin exchange model on the triangular lattice. 4) Soft condensed matter and biological systems. Path integral representations are invaluable to describe polymers, proteins and self-avoiding membranes. Using these methods, problems as diverse as the titration of a weak poly-acid by a strong base, the denaturation transition of DNA or bridge-hopping in conducting polymers have been addressed. The problems of RNA folding has

  17. Physical-chemical properties of the surface of B2O3-P2O5-MeOx/SiO2 catalysts and its effect on the parameters of the process of aldol condensation of propionic acid with formaldehyde

    International Nuclear Information System (INIS)

    Yivasyiv, V.V.; Pyikh, Z.G.; Zhiznevs'kij, V.M.; Nebesnij, R.V.

    2011-01-01

    Effect of catalyst B 2 O 3 -P 2 O 5 -MeO x /SiO 2 composition on its physical-chemical properties has been investigated. Relations between physical-chemical and catalytic properties of catalysts in the gas-phase reaction of propionic acid with formaldehyde to methacrylic acid have been found. Effect of the specific surface area and the specific surface acidity on the propionic acid conversion has been determined. Effect of the acidic active site's strength on the selectivity of reaction products has been determined. It has been pointed that methacrylic acid is formed on the moderate strength acidic active sites, whereas the by-product (diethyl ketone) - on the strong acidic active sites of the catalyst.

  18. Connections between quantum chromodynamics and condensed ...

    Indian Academy of Sciences (India)

    Abstract. Features of QCD can be seen qualitatively in certain condensed matter systems. Recently some of the analyses that originated in condensed matter physics have found applications in QCD. Using examples we discuss some of the connections between the two fields and show how progress can be made by ...

  19. Condensate growth in trapped Bose gates

    NARCIS (Netherlands)

    Bijlsma, M.J.; Zaremba, E.; Stoof, H.T.C.

    2000-01-01

    We study the dynamics of condensate fromation in an inhomogeneous trapped Bose gas with a positive interatomic scattering length. We take into account both the nonequilibrium kinetics of the thermal cloud and the Hartree-Fock mean-field efects in the condensed and the noncondensed parts of the gas.

  20. Condensate growth in trapped Bose gases

    NARCIS (Netherlands)

    Bijlsma, M.J.; Zaremba, E.; Stoof, H.T.C.

    2000-01-01

    We study the dynamics of condensate formation in an inhomogeneous trapped Bose gas with a positive interatomic scattering length. We take into account both the nonequilibrium kinetics of the thermal cloud and the Hartree-Fock mean-field effects in the condensed and the noncondensed parts of the gas.

  1. Tunneling of trapped-atom Bose condensates

    Indian Academy of Sciences (India)

    Tunneling of trapped-atom Bose condensates. SUBODH R SHENOY. Abdus Salam International Centre for Theoretical Physics, P.O. Box 586, Trieste 34100, Italy. Abstract. We obtain the dynamics in number and phase difference, for Bose condensates that tun- nel between two wells of a double-well atomic trap, using the ...

  2. Collision of Bose Condensate Dark Matter structures

    International Nuclear Information System (INIS)

    Guzman, F. S.

    2008-01-01

    The status of the scalar field or Bose condensate dark matter model is presented. Results about the solitonic behavior in collision of structures is presented as a possible explanation to the recent-possibly-solitonic behavior in the bullet cluster merger. Some estimates about the possibility to simulate the bullet cluster under the Bose Condensate dark matter model are indicated.

  3. Soliton resonance in bose-einstein condensate

    Science.gov (United States)

    Zak, Michail; Kulikov, I.

    2002-01-01

    A new phenomenon in nonlinear dispersive systems, including a Bose-Einstein Condensate (BEC), has been described. It is based upon a resonance between an externally induced soliton and 'eigen-solitons' of the homogeneous cubic Schrodinger equation. There have been shown that a moving source of positive /negative potential induces bright /dark solitons in an attractive / repulsive Bose condensate.

  4. Effective thermal conductivity of condensed polymeric nanofluids ...

    Indian Academy of Sciences (India)

    Thermal properties of polymeric nanosolids, obtained by condensing the corresponding nanofluids, are investigated using photothermal techniques. The heat transport properties of two sets of polyvinyl alcohol (PVA) based nanosolids, TiO2/PVA and Cu/PVA, prepared by condensing the respective nanofluids, which are ...

  5. Quantum monodromy in trapped Bose condensates

    NARCIS (Netherlands)

    Waalkens, H.

    2002-01-01

    Bose-Einstein condensation of ultra cold atoms is typically realized in magnetic traps which effectively lead to an axially symmetric harmonic potential. This letter shows that the spectrum of collective vibrational modes of a repulsive condensate in a prolate potential displays a defect known as

  6. Born-Kothari Condensation for Fermions

    Directory of Open Access Journals (Sweden)

    Arnab Ghosh

    2017-09-01

    Full Text Available In the spirit of Bose–Einstein condensation, we present a detailed account of the statistical description of the condensation phenomena for a Fermi–Dirac gas following the works of Born and Kothari. For bosons, while the condensed phase below a certain critical temperature, permits macroscopic occupation at the lowest energy single particle state, for fermions, due to Pauli exclusion principle, the condensed phase occurs only in the form of a single occupancy dense modes at the highest energy state. In spite of these rudimentary differences, our recent findings [Ghosh and Ray, 2017] identify the foregoing phenomenon as condensation-like coherence among fermions in an analogous way to Bose–Einstein condensate which is collectively described by a coherent matter wave. To reach the above conclusion, we employ the close relationship between the statistical methods of bosonic and fermionic fields pioneered by Cahill and Glauber. In addition to our previous results, we described in this mini-review that the highest momentum (energy for individual fermions, prerequisite for the condensation process, can be specified in terms of the natural length and energy scales of the problem. The existence of such condensed phases, which are of obvious significance in the context of elementary particles, have also been scrutinized.

  7. Dropwise Condensation Enhancement on Geometric Features

    Science.gov (United States)

    Zhao, Yajing; Preston, Daniel J.; Lu, Zhengmao; Wang, Evelyn N.

    Dropwise condensation, which has been demonstrated to exhibit a 5-7X higher heat transfer coefficient compared with state-of-the-art filmwise condensation, contributes to energy savings in a wide range of applications such as desalination systems, steam cycles and dew harvesting. In order to enhance dropwise condensation performance, previous studies have investigated the effects of surface geometric features on droplet growth rates and found that bumps protruding from surfaces can effectively promote dropwise condensation. In this work, we show that while bumps on surfaces enable droplets to grow faster in some cases, there are also cases where bumps on surfaces actually degrade dropwise condensation. We numerically simulated and experimentally demonstrated that even the same surface geometric feature can exert completely opposite effects on dropwise condensation of water under two different working conditions (pure vapor vs. air vapor mixture). This phenomenon is explained by comparing the heat and mass transfer resistance of the surface structure to that of the vapor transport during dropwise condensation. We expect that the fundamental understanding developed in this study will provide useful guidelines for relevant condensation applications.

  8. Assessment of the controllability of condensible emissions. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Shareef, G.S.; Waddell, J.T.

    1990-10-01

    The report gives results of a study to gain insights into the condensible emissions area from an air toxics perspective, with emphasis on controllability and chemical composition of these emissions. The study: compiled existing data on condensible emissions; determined the chemical composition of condensible emissions, where possible; identified source categories that are major emitters of condensibles; evaluated the effectiveness of various control devices in reducing condensible emissions; and evaluated how the performance of currently available control technologies can be improved to better control condensible emissions. Two data bases were developed: the Condensibles Data Base contains 43 emission source categories; the Specialized Condensibles Data Base focuses on the chemical composition of condensible emissions.

  9. Capillary Condensation in 8 nm Deep Channels.

    Science.gov (United States)

    Zhong, Junjie; Riordon, Jason; Zandavi, Seyed Hadi; Xu, Yi; Persad, Aaron H; Mostowfi, Farshid; Sinton, David

    2018-02-01

    Condensation on the nanoscale is essential to understand many natural and synthetic systems relevant to water, air, and energy. Despite its importance, the underlying physics of condensation initiation and propagation remain largely unknown at sub-10 nm, mainly due to the challenges of controlling and probing such small systems. Here we study the condensation of n-propane down to 8 nm confinement in a nanofluidic system, distinct from previous studies at ∼100 nm. The condensation initiates significantly earlier in the 8 nm channels, and it initiates from the entrance, in contrast to channels just 10 times larger. The condensate propagation is observed to be governed by two liquid-vapor interfaces with an interplay between film and bridging effects. We model the experimental results using classical theories and find good agreement, demonstrating that this 8 nm nonpolar fluid system can be treated as a continuum from a thermodynamic perspective, despite having only 10-20 molecular layers.

  10. Effects of Composition and Structure of Mg/Al Oxides on Their Activity and Selectivity for the Condensation of Methyl Ketones

    KAUST Repository

    Shylesh, Sankaranarayanapillai

    2016-09-22

    The effects of chemical composition and pretreatment on Mg–Al hydrotalcites and alumina-supported MgO were evaluated for the gas-phase, self-condensation reaction of C3–C5 biomass-derived methyl ketones. We show that the selectivity toward the acyclic dimer enone and the cyclic enone trimer can be tuned by controlling the temperature of hydrotalcite calcination. Methyl ketone cyclization is promoted by Lewis acidic sites present on the hydrotalcite catalysts. XRD and thermal decomposition analysis reveal that the formation of periclase MgO starts above 623 K accompanied by complete disappearance of the hydrotalcite structure and is accompanied by an increase in hydroxyl condensation as the formation of well-crystallized periclase. 27Al MQMAS and 25Mg MAS NMR show that at progressively higher temperatures, Al3+ cations diffuses out of the octahedral brucite layers and incorporate into the tetrahedral and octahedral sites of the MgO matrix thereby creating defects to compensate the excess positive charge generated. The oxygen anions adjacent to the Mg2+/Al3+ defects become coordinatively unsaturated, leading to the formation of new basic sites. A kinetic isotope effect, kH/kD = 0.96, is observed at 473 K for the reaction of (CH3)2CO versus (CD3)2CO, which suggests that carbon–carbon bond formation leading to the dimer aldol product is the rate-determining step in the condensation reaction of methyl ketones. We also show that acid–base catalysts having similar reactivity and higher hydrothermal stability to that of calcined hydrotalcites can be achieved by creating defects in MgO crystallites supported alumina as a consequence of the diffusion of Al3+ cations into MgO. The physical properties of these materials are shown to be very similar to those of hydrotalcite calcined at 823 K.

  11. Intramolecular Diels-Alder reactions of pyrimidines, a synthetic and computational study

    NARCIS (Netherlands)

    Stolle, W.A.W.

    1992-01-01

    This thesis deals with an investigation on the ringtransformation reactions of 2and 5-(ω-alkynyl)pyrimidine derivatives, which undergo upon heating an intramolecular Diels-Alder reaction and subsequently a spontaneous retro Diels- Alder reaction. To get a better insight into the

  12. Potassium hydroxide/dimethyl sulfoxide promoted intramolecular cyclization for the synthesis of benzimidazol-2-ones.

    Science.gov (United States)

    Beyer, Astrid; Reucher, Christine M M; Bolm, Carsten

    2011-06-03

    A new protocol for intramolecular N-arylations of ureas to form benzimidazol-2-ones has been developed. The cyclization reaction occurs in the presence of KOH and DMSO at close to ambient temperature. Under these conditions the yields are high and a wide range of functional groups are tolerated.

  13. Optimized measurements of separations and angles between intra-molecular fluorescent markers

    DEFF Research Database (Denmark)

    Mortensen, Kim; Sung, Jongmin; Flyvbjerg, Henrik

    2015-01-01

    We demonstrate a novel, yet simple tool for the study of structure and function of biomolecules by extending two-colour co-localization microscopy to fluorescent molecules with fixed orientations and in intra-molecular proximity. From each colour-separated microscope image in a time-lapse movie...

  14. Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads

    KAUST Repository

    Whited, Matthew T.

    2012-01-01

    We report the synthesis and characterization of symmetric BODIPY dyads where the chromophores are attached at the meso position, using either a phenylene bridge or direct linkage. Both molecules undergo symmetry-breaking intramolecular charge transfer in the excited state, and the directly linked dyad serves as a visible-light-absorbing analogue of 9,9′-bianthryl.

  15. Intramolecular hydrogen bond: Can it be part of the basis set of ...

    Indian Academy of Sciences (India)

    IMHB appears in one of the equivalent complete VIC basis sets, its RFC could be used as a measure of bond strength parameter. Keywords. Hydrogen bond; intramolecular; relaxed force constant; normal mode analysis; bond strength parameter. 1. Introduction. The advantages of the compliance constants (the inverse.

  16. Neutral versus cationic Group 3 metal alkyl catalysts : performance in intramolecular hydroamination/cyclisation

    NARCIS (Netherlands)

    de Araujo Bambirra, Sergio; Tsurugi, H; van Leusen, D; Hessen, B

    2006-01-01

    The relative catalytic activity of neutral dialkyl versus cationic monoalkyl Group 3 metal catalysts in the intramolecular hydroamination/cyclisation of the 2,2-dimethyl-4-pentenylamine reference substrate was investigated. This was found to depend strongly on the nature of the monoanionic ancillary

  17. Isotope effects on chemical shifts in the study of intramolecular hydrogen bonds

    DEFF Research Database (Denmark)

    Hansen, Poul Erik

    2015-01-01

    The paper deals with the use of isotope effects on chemical shifts in characterizing intramolecular hydrogen bonds. Both so-called resonance-assisted (RAHB) and non-RAHB systems are treated. The importance of RAHB will be discussed. Another very important issue is the borderline between “static” ...

  18. Regio-Selective Intramolecular Hydrogen/Deuterium Exchange in Gas-Phase Electron Transfer Dissociation

    Science.gov (United States)

    Hamuro, Yoshitomo

    2017-05-01

    Protein backbone amide hydrogen/deuterium exchange mass spectrometry (HDX-MS) typically utilizes enzymatic digestion after the exchange reaction and before MS analysis to improve data resolution. Gas-phase fragmentation of a peptic fragment prior to MS analysis is a promising technique to further increase the resolution. The biggest technical challenge for this method is elimination of intramolecular hydrogen/deuterium exchange (scrambling) in the gas phase. The scrambling obscures the location of deuterium. Jørgensen's group pioneered a method to minimize the scrambling in gas-phase electron capture/transfer dissociation. Despite active investigation, the mechanism of hydrogen scrambling is not well-understood. The difficulty stems from the fact that the degree of hydrogen scrambling depends on instruments, various parameters of mass analysis, and peptide analyzed. In most hydrogen scrambling investigations, the hydrogen scrambling is measured by the percentage of scrambling in a whole molecule. This paper demonstrates that the degree of intramolecular hydrogen/deuterium exchange depends on the nature of exchangeable hydrogen sites. The deuterium on Tyr amide of neurotensin (9-13), Arg-Pro-Tyr-Ile-Leu, migrated significantly faster than that on Ile or Leu amides, indicating the loss of deuterium from the original sites is not mere randomization of hydrogen and deuterium but more site-specific phenomena. This more precise approach may help understand the mechanism of intramolecular hydrogen exchange and provide higher confidence for the parameter optimization to eliminate intramolecular hydrogen/deuterium exchange during gas-phase fragmentation.

  19. Intramolecular 13C analysis of tree rings provides multiple plant ecophysiology signals covering decades.

    Science.gov (United States)

    Wieloch, Thomas; Ehlers, Ina; Yu, Jun; Frank, David; Grabner, Michael; Gessler, Arthur; Schleucher, Jürgen

    2018-03-22

    Measurements of carbon isotope contents of plant organic matter provide important information in diverse fields such as plant breeding, ecophysiology, biogeochemistry and paleoclimatology. They are currently based on 13 C/ 12 C ratios of specific, whole metabolites, but we show here that intramolecular ratios provide higher resolution information. In the glucose units of tree-ring cellulose of 12 tree species, we detected large differences in 13 C/ 12 C ratios (>10‰) among carbon atoms, which provide isotopically distinct inputs to major global C pools, including wood and soil organic matter. Thus, considering position-specific differences can improve characterisation of soil-to-atmosphere carbon fluxes and soil metabolism. In a Pinus nigra tree-ring archive formed from 1961 to 1995, we found novel 13 C signals, and show that intramolecular analysis enables more comprehensive and precise signal extraction from tree rings, and thus higher resolution reconstruction of plants' responses to climate change. Moreover, we propose an ecophysiological mechanism for the introduction of a 13 C signal, which links an environmental shift to the triggered metabolic shift and its intramolecular 13 C signature. In conclusion, intramolecular 13 C analyses can provide valuable new information about long-term metabolic dynamics for numerous applications.

  20. Synthesis of benzannelated sultams by intramolecular Pd-catalyzed arylation of tertiary sulfonamides

    Directory of Open Access Journals (Sweden)

    Valentin A. Rassadin

    2017-09-01

    Full Text Available A new and efficient approach to five- and six-membered benzannelated sultams by intramolecular C-arylation of tertiary 1-(methoxycarbonylmethanesulfonamides under palladium catalysis is described. In case of the α-toluenesulfonamide derivative, an unexpected formation of a 2,3-diarylindole was observed under the same conditions.

  1. Synthesis of benzannelated sultams by intramolecular Pd-catalyzed arylation of tertiary sulfonamides.

    Science.gov (United States)

    Rassadin, Valentin A; Scholz, Mirko; Klochkova, Anastasiia A; de Meijere, Armin; Sokolov, Victor V

    2017-01-01

    A new and efficient approach to five- and six-membered benzannelated sultams by intramolecular C -arylation of tertiary 1-(methoxycarbonyl)methanesulfonamides under palladium catalysis is described. In case of the α-toluenesulfonamide derivative, an unexpected formation of a 2,3-diarylindole was observed under the same conditions.

  2. Intramolecular butenolide allene photocycloadditions and ensuing retro-ene reactions of some photoadducts

    NARCIS (Netherlands)

    Lutteke, G.; Kleinnijenhuis, R.A.; Jacobs, I.; Wrigstedt, P.J.; Correia, A.C.A.; Nieuwenhuizen, R.; Hue, B.T.B.; Goubitz, K.; Peschar, R.; van Maarseveen, J.H.; Hiemstra, H.

    2011-01-01

    This report describes intramolecular [2+2] photocycloadditions of several butenolides with an allenylmethyl substituent at the 5-position. These photosubstrates were prepared from 2-(silyloxy)furans through silver-mediated reactions with allenylmethyl bromides. Two cases were studied where the

  3. Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.

    Science.gov (United States)

    Peter, Clovis; Geoffroy, Philippe; Miesch, Michel

    2018-02-21

    Starting from a common polyfunctionalized bicyclo[3.2.1]octane-6,8-dione intermediate, a concise synthetic route to tricyclic cores found in quadrane, suberosane, cedrane and related sesquiterpenes was developed using a Morita-Baylis-Hillman intramolecular reaction as a key step.

  4. Synthesis of neplanocin A and its 3'-epimer via an intramolecular Baylis-Hillman reaction.

    Science.gov (United States)

    Tan, Yun Xuan; Santhanakrishnan, Sridhar; Yang, Hai Yan; Chai, Christina L L; Tam, Eric Kwok Wai

    2014-09-05

    The key cyclopentenyl intermediate 11b was synthesized in 4 steps from d-ribose in 41% overall yield via an efficient intramolecular Baylis-Hillman reaction. This novel key intermediate can be modified easily and transformed to neplanocin A (1a) and its 3'-epimer (1b).

  5. Recent applications of intramolecular Diels-Alder reactions to natural product synthesis

    DEFF Research Database (Denmark)

    Juhl, M.; Tanner, David Ackland

    2009-01-01

    This tutorial review presents some recent examples of intramolecular Diels-Alder (IMDA) reactions as key complexity-generating steps in the total synthesis of structurally intricate natural products. The opportunities afforded by transannular (TADA) versions of the IMDA reaction in complex molecule...

  6. Effect of intramolecular hydrogen bonding and electron donation on substituted anthrasemiquinone characteristics

    International Nuclear Information System (INIS)

    Pal, H.; Mukherjee, T.

    1994-01-01

    The acid-base and redox characteristics of the semiquinones of a number of hydroxy and amino-substituted anthraquinones have been investigated. Results are explained on the basis of electron-donating properties and intramolecular hydrogen bond forming capabilities of the substituents. (author). 4 refs., 1 tab., 1 fig

  7. 1 H NMR-Based Kinetic-Mechanistic Study of the Intramolecular ...

    African Journals Online (AJOL)

    A 1H NMR study of the acid-catalyzed, intramolecular trans-esterification between isomeric 2-exo-3-exo-dihydroxybornane monoacrylate esters has afforded insights into the reaction mechanism and permitted the determination of kinetic and thermodynamic parameters for the pseudo-first-order processes. KEYWORDS ...

  8. The first strand transfer during HIV-1 reverse transcription can occur either intramolecularly or intermolecularly

    NARCIS (Netherlands)

    van Wamel, J. L.; Berkhout, B.

    1998-01-01

    Reverse transcription is a complicated process that involves at least two cDNA transfer reactions to produce a full-length copy DNA of the retroviral RNA genome. Because one retrovirus particle contains two identical genomic RNA molecules, the transfers can occur in an intramolecular or

  9. Intramolecular Transannulation of Alkynyl Triazoles via Alkyne-Carbene Metathesis Step: Access to Fused Pyrroles

    Science.gov (United States)

    Shi, Yi; Gevorgyan, Vladimir

    2013-01-01

    An intramolecular Rh-catalyzed transannulation reaction of alkynyl triazoles has been developed. This method allows efficient construction of various 5,5-fused pyrroles, including tetrahydropyrrolo and spiro systems. The method demonstrates excellent functional group compatibility. A rhodium carbene-alkyne metathesis mechanism is proposed for this transformation. PMID:24093728

  10. On prediction of OH stretching frequencies in intramolecularly hydrogen bonded systems

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Spanget-Larsen, Jens

    2012-01-01

    OH stretching frequencies are investigated for a series of non-tautomerizing systems with intramolecular hydrogen bonds. Effective OH stretching wavenumbers are predicted by the application of empirical correlation procedures based on the results of B3LYP/6-31G(d) theoretical calculations in the ...

  11. Rationalizing Ring-Size Selectivity in Intramolecular Pd-Catalyzed Allylations of Resonance-Stabilized Carbanions

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Mader, Mary M.; Vitale, Maxime

    2003-01-01

    Computational methods were applied to the Pd-catalyzed intramolecular allylations of resonance-stabilized carbanions obtained from amide and ketone substrates, with the aim of rationalizing the endo- vs. exo-selectivity in the cyclizations. In addition, ester substrates were prepared and subjecte...

  12. Intramolecular Pnicogen Interactions in PHF(CH2)nPHF (n=26) Systems

    Czech Academy of Sciences Publication Activity Database

    Sanchez-Sanz, Goar; Alkorta, I.; Trujillo, Cristina; Elguero, J.

    2013-01-01

    Roč. 14, č. 8 (2013), s. 1656-1665 ISSN 1439-4235 Institutional support: RVO:61388963 Keywords : electron density shift * intramolecular interactions * ab initio calculations * pnicogens * electrostatic interactions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.360, year: 2013

  13. A new synthesis of enantiomerically pure syn-(S)-β-hydroxy-α-amino acids via asymmetric aldol reactions of aldehydes with a homochiral Ni(II)-glycine/(S)-BPB Schiff base complex

    OpenAIRE

    Belokon, Yuri N.; Kochetkov, Konstantin A.; Ikonnikov, Nikolai S.; Strelkova, Tatiana V.; Harutyunyan, Syuzanna R.; Saghiyan, Ashot S.

    2001-01-01

    syn-(S)-β-Hydroxy-α-amino acids were synthesised stereoselectively via elaboration of the asymmetric aldol reactions of aldehydes with a chiral Ni(II)-(S)-BPB/glycine Schiff base complex in the presence of equimolar NaH in THF. The stereoselectivity of the reaction was studied as a function of time, the reaction conditions, the nature of the carbonyl compounds and the base used. The synthetic potential of this asymmetric method was demonstrated in the preparation of syn-(S)-β-hydroxyleucine o...

  14. Curiosidades sobre a reação aldólica utilizada como etapa chave na síntese Brasileira dos ácidos pterídicos A e B Curiosities about the aldol reaction employed as a key step in the synthesis of pteridic acids A and B

    Directory of Open Access Journals (Sweden)

    Luiz C. Dias

    2010-01-01

    Full Text Available This work describes an overview of our synthesis of pteridic acids A and B and discloses some interesting results related to the lithium enolate-mediated aldol reaction used as key step to set up the C5-C15 fragment of these natural products. This first example, as far we know, of an aldol reaction between a chiral enolate of a (Z enone and a chiral aldehyde has driven us to a series of experiments showing the remarkable relation between enolization selectivity and reaction conditions.

  15. Condensing boiler applications in the process industry

    International Nuclear Information System (INIS)

    Chen, Qun; Finney, Karen; Li, Hanning; Zhang, Xiaohui; Zhou, Jue; Sharifi, Vida; Swithenbank, Jim

    2012-01-01

    Major challenging issues such as climate change, energy prices and fuel security have focussed the attention of process industries on their energy efficiency and opportunities for improvement. The main objective of this research study was to investigate technologies needed to exploit the large amount of low grade heat available from a flue gas condensing system through industrial condensing boilers. The technology and application of industrial condensing boilers in various heating systems were extensively reviewed. As the condensers require site-specific engineering design, a case study was carried out to investigate the feasibility (technically and economically) of applying condensing boilers in a large scale district heating system (40 MW). The study showed that by recovering the latent heat of water vapour in the flue gas through condensing boilers, the whole heating system could achieve significantly higher efficiency levels than conventional boilers. In addition to waste heat recovery, condensing boilers can also be optimised for emission abatement, especially for particle removal. Two technical barriers for the condensing boiler application are corrosion and return water temperatures. Highly corrosion-resistant material is required for condensing boiler manufacture. The thermal design of a 'case study' single pass shell-and-tube condensing heat exchanger/condenser showed that a considerable amount of thermal resistance was on the shell-side. Based on the case study calculations, approximately 4900 m 2 of total heat transfer area was required, if stainless steel was used as a construction material. If the heat transfer area was made of carbon steel, then polypropylene could be used as the corrosion-resistant coating material outside the tubes. The addition of polypropylene coating increased the tube wall thermal resistance, hence the required heat transfer area was approximately 5800 m 2 . Net Present Value (NPV) calculations showed that the choice of a carbon

  16. Condensing embryology teaching: alternative perspectives

    Directory of Open Access Journals (Sweden)

    Hasan M

    2018-03-01

    Full Text Available Mohammad Hasan, Syed Maaz Tariq, Syed Ali Haider Department of MBBS, Jinnah Sindh Medical University, Karachi, PakistanWe read the article “Condensing embryology teaching for medical students: can it be taught in 2 hours?” by Kazzazi and Bartlett quite attentively. The authors were successful in mentioning an effective mode of teaching embryology. Embryology is indeed an important subject that forms the base for appreciating anatomy and has immense practical implementations in different parts of medicine, for example, in pediatrics and ENT surgery. However, it is often neglected and is only taught in preclinical years.1 The authors proposed a method for teaching embryology splendidly from their perspective; therefore, we felt the need to expand the discussion from the perspective of third-year medical students who have just completed their preclinical years. Hence, we would like to mention few limitations to this study as well.Authors’ replyFawz Kazzazi, Jonathan Bartlett School of Clinical Medicine, University of Cambridge, Cambridge, UKWe read with interest the response letter by Hasan et al. We must first commend the editor and journal on their great ability to unify the medical community and extend topics for debate internationally.View the original paper by Kazzazi and Bartlett.

  17. Topology and condensed matter physics

    CERN Document Server

    Mj, Mahan; Bandyopadhyay, Abhijit

    2017-01-01

    This book introduces aspects of topology and applications to problems in condensed matter physics. Basic topics in mathematics have been introduced in a form accessible to physicists, and the use of topology in quantum, statistical and solid state physics has been developed with an emphasis on pedagogy. The aim is to bridge the language barrier between physics and mathematics, as well as the different specializations in physics. Pitched at the level of a graduate student of physics, this book does not assume any additional knowledge of mathematics or physics. It is therefore suited for advanced postgraduate students as well. A collection of selected problems will help the reader learn the topics on one's own, and the broad range of topics covered will make the text a valuable resource for practising researchers in the field.  The book consists of two parts: one corresponds to developing the necessary mathematics and the other discusses applications to physical problems. The section on mathematics is a qui...

  18. Ice-condenser aerosol tests

    International Nuclear Information System (INIS)

    Ligotke, M.W.; Eschbach, E.J.; Winegardner, W.K.

    1991-09-01

    This report presents the results of an experimental investigation of aerosol particle transport and capture using a full-scale height and reduced-scale cross section test facility based on the design of the ice compartment of a pressurized water reactor (PWR) ice-condenser containment system. Results of 38 tests included thermal-hydraulic as well as aerosol particle data. Particle retention in the test section was greatly influenced by thermal-hydraulic and aerosol test parameters. Test-average decontamination factor (DF) ranged between 1.0 and 36 (retentions between ∼0 and 97.2%). The measured test-average particle retentions for tests without and with ice and steam ranged between DF = 1.0 and 2.2 and DF = 2.4 and 36, respectively. In order to apparent importance, parameters that caused particle retention in the test section in the presence of ice were steam mole fraction (SMF), noncondensible gas flow rate (residence time), particle solubility, and inlet particle size. Ice-basket section noncondensible flows greater than 0.1 m 3 /s resulted in stable thermal stratification whereas flows less than 0.1 m 3 /s resulted in thermal behavior termed meandering with frequent temperature crossovers between flow channels. 10 refs., 66 figs., 16 tabs

  19. Ice-condenser aerosol tests

    Energy Technology Data Exchange (ETDEWEB)

    Ligotke, M.W.; Eschbach, E.J.; Winegardner, W.K. (Pacific Northwest Lab., Richland, WA (United States))

    1991-09-01

    This report presents the results of an experimental investigation of aerosol particle transport and capture using a full-scale height and reduced-scale cross section test facility based on the design of the ice compartment of a pressurized water reactor (PWR) ice-condenser containment system. Results of 38 tests included thermal-hydraulic as well as aerosol particle data. Particle retention in the test section was greatly influenced by thermal-hydraulic and aerosol test parameters. Test-average decontamination factor (DF) ranged between 1.0 and 36 (retentions between {approximately}0 and 97.2%). The measured test-average particle retentions for tests without and with ice and steam ranged between DF = 1.0 and 2.2 and DF = 2.4 and 36, respectively. In order to apparent importance, parameters that caused particle retention in the test section in the presence of ice were steam mole fraction (SMF), noncondensible gas flow rate (residence time), particle solubility, and inlet particle size. Ice-basket section noncondensible flows greater than 0.1 m{sup 3}/s resulted in stable thermal stratification whereas flows less than 0.1 m{sup 3}/s resulted in thermal behavior termed meandering with frequent temperature crossovers between flow channels. 10 refs., 66 figs., 16 tabs.

  20. Direct contact condensation in packed beds

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yi; Klausner, James F.; Mei, Renwei; Knight, Jessica [Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, FL 32611 (United States)

    2006-12-15

    A diffusion driven desalination process was recently described where a very effective direct contact condenser with a packed bed is used to condense water vapor out of an air/vapor mixture. A laboratory scale direct contact condenser has been fabricated as a twin tower structure with two stages, co-current and countercurrent. Experiments have been operated in each stage with respective saturated air inlet temperatures of 36, 40 and 43{sup o}C. The temperature and humidity data have been collected at the inlet and exit of the packed bed for different water to air mass flow ratios that vary between 0 and 2.5. A one-dimensional model based on conservation principles has been developed, which predicts the variation of temperature, humidity, and condensation rate through the condenser stages. Agreement between the model and experiments is very good. It is observed that the countercurrent flow stage condensation effectiveness is significantly higher than that for the co-current stage. The condensation heat and mass transfer rates were found to decrease when water blockages occur within the packed bed. Using high-speed digital cinematography, it was observed that this problem can occur at any operating condition, and is dependent on the packing surface wetting characteristics. This observation is used to explain the requirement for two different empirical constants, depending on packing diameter, suggested by Onda for the air side mass transfer coefficient correlation. (author)

  1. Emergency condensator for BWR type reactor

    International Nuclear Information System (INIS)

    Ubakai, Yoichi; Narumi, Yuichi; Sakata, Yuji.

    1992-01-01

    An emergency condensator is constituted with heat transfer pipes, a steam chamber, an upper pipe plate, a lower pipe plate and a condensate chamber. The upper pipe plate is secured by supports, and a steam pipe is connected to the upper pipe plate. A condensate pipeline and a incondensible gas vent pipe are disposed to the condensate chamber. Taking thermal expansion of the steam pipes and thermal expansion of the heat transfer pipes into consideration, the heat transfer pipe is made as an L-shaped pipe having a vertical portion and a horizontal portion so as to absorb each of the thermal expansion smoothly. The L-shaped heat transfer pipes are constituted as a bundle of pipes having the end portions thereof secured to the upper pipe plate and the lower pipe plate. The emergency condensator is disposed in a emergency condensator pool chamber. Cooling water in contact with the outer side of the L-shaped heat transfer pipes is the pool water in the pool chamber, and the condensator chamber is disposed in concrete walls of the pool chamber. With such a constitution, stress due to thermal expansion of the heat transfer pipes is mitigated, and heat transfer performance, earth quake resistance and maintenancability are improved. (I.N.)

  2. Low-temperature Condensation of Carbon

    Science.gov (United States)

    Krasnokutski, S. A.; Goulart, M.; Gordon, E. B.; Ritsch, A.; Jäger, C.; Rastogi, M.; Salvenmoser, W.; Henning, Th.; Scheier, P.

    2017-10-01

    Two different types of experiments were performed. In the first experiment, we studied the low-temperature condensation of vaporized graphite inside bulk liquid helium, while in the second experiment, we studied the condensation of single carbon atoms together with H2, H2O, and CO molecules inside helium nanodroplets. The condensation of vaporized graphite leads to the formation of partially graphitized carbon, which indicates high temperatures, supposedly higher than 1000°C, during condensation. Possible underlying processes responsible for the instant rise in temperature during condensation are discussed. This suggests that such processes cause the presence of partially graphitized carbon dust formed by low-temperature condensation in the diffuse interstellar medium. Alternatively, in the denser regions of the ISM, the condensation of carbon atoms together with the most abundant interstellar molecules (H2, H2O, and CO), leads to the formation of complex organic molecules (COMs) and finally organic polymers. Water molecules were found not to be involved directly in the reaction network leading to the formation of COMs. It was proposed that COMs are formed via the addition of carbon atoms to H2 and CO molecules ({{C}}+{{{H}}}2\\to {HCH},{HCH}+{CO}\\to {{OCCH}}2). Due to the involvement of molecular hydrogen, the formation of COMs by carbon addition reactions should be more efficient at high extinctions compared with the previously proposed reaction scheme with atomic hydrogen.

  3. Active condensation of water by plants

    Directory of Open Access Journals (Sweden)

    Prokhorov Alexey Anatolievich

    2013-10-01

    Full Text Available This paper is devoted to some peculiarities of water condensation on the surface of plants . Arguments in support of the hypothesis that in decreasing temperature of leaves and shoots below the dew point, the plant can actively condense moisture from the air, increasing the duration of dewfall are presented. Evening dewfall on plant surfaces begins before starting the formation of fog. Morning condensation continues for some time after the air temperature exceeds the dew point . The phenomenon in question is found everywhere, but it is particularly important for plants in arid ecosystems.

  4. Quark virtuality and QCD vacuum condensates

    International Nuclear Information System (INIS)

    Zhou Lijuan; Ma Weixing

    2004-01-01

    Based on the Dyson-Schwinger equations (DSEs) in the 'rainbow' approximation, the authors investigate the quark virtuality in the vacuum state and quantum-chromodynamics (QCD) vacuum condensates. In particular, authors calculate the local quark vacuum condensate and quark-gluon mixed condensates, and then the virtuality of quark. The calculated quark virtualities are λ u,d 2 =0.7 GeV 2 for u, d quarks, and λ s 2 =1.6 GeV 2 for s quark. The theoretical predictions are consistent with empirical values used in QCD sum rules, and also fit to lattice QCD predictions

  5. Open string decoupling and tachyon condensation

    International Nuclear Information System (INIS)

    Chalmers, G.

    2001-01-01

    The amplitudes in perturbative open string theory are examined as functions of the tachyon condensate parameter. The boundary state formalism demonstrates the decoupling of the open string modes at the non-perturbative minima of the tachyon potential via a degeneration of open world-sheets and identifies an independence of the coupling constants g s and g YM at general values of the tachyon condensate. The closed sector is generated at the quantum level; it is also generated at the classical level through the condensation of the propagating open string modes on the D-brane degrees of freedom.

  6. Preoperational test report, primary ventilation condensate system

    Energy Technology Data Exchange (ETDEWEB)

    Clifton, F.T.

    1997-01-29

    Preoperational test report for Primary Ventilation Condensate System, Project W-030. Project W-030 provides a ventilation upgrade for the four Aging Waste Facility tanks. The system provides a collection point for condensate generated by the W-030 primary vent offgas cooling system serving tanks AYIOI, AY102, AZIOI, AZI02. The system is located inside a shielded ventilation equipment cell and consists of a condensate seal pot, sampling features, a drain line to existing Catch Tank 241-AZ-151, and a cell sump jet pump. The tests verify correct system operation and correct indications displayed by the central Monitor and Control System.

  7. The Dynamics of Aerosols in Condensational Scrubbers

    DEFF Research Database (Denmark)

    Johannessen, Jens Tue; Christensen, Jan A.; Simonsen, Ole

    1997-01-01

    A mathematical model for the simulation of the dynamics of aerosol change in condensational scrubbers and scrubbing condensers is proposed. The model is applicable for packed column gas/liquid contact when plug flow can be assumed. The model is compared with experimental data for particle removal...... in a pilot plant condensational scrubber. The model can satisfactorily predict particle growth and particle deposition by diffusional, convective and inertial mechanisms for a wide range of conditions. The parameters of principal importance for the model precision are identified and a procedure...

  8. Model of a chromomagnetic condensate in QCD

    International Nuclear Information System (INIS)

    Vladimirsky, V.V.

    1996-01-01

    The simplest form of the effective Lagrangian of a gluon field leads to a deep degeneracy of a magnetic condensate that arises when the stability of the standard perturbative vacuum is violated by quantum effects. The inclusion of terms in the effective Lagrangian that conserve color and Lorentz invariance enables the possible types of Abelian and non-Abelian condensate fields to be classified. The degeneracy is partially removed. One of the four types of the condensate permits the emergence of closed vortex lines that correspond to cyclic permutations of colors upon circumventions around stringlike singularities

  9. Bimodal condensation silicone elastomers as dielectric elastomers

    DEFF Research Database (Denmark)

    Yu, Liyun; Madsen, Frederikke Bahrt; Skov, Anne Ladegaard

    unimodal refers to that there is one polymer only in the system. As an alternative to unimodal networks there are the bimodal networks where two polymers with significantly different molecular weights are mixed with one crosslinker. [2]Silicone rubber can be divided into condensation type and addition type...... according to the curing reaction. The advantages of condensation silicones compared to addition are the relatively low cost, the curing rate largely being independent of temperature, the excellent adhesion, and the catalyst being nontoxic. [3]In this work, a series of bimodal condensation silicone...

  10. Holography, Gravity and Condensed Matter

    Energy Technology Data Exchange (ETDEWEB)

    Hartnoll, Sean [Stanford Univ., CA (United States). Dept. of Physics

    2017-12-20

    Over the five years of funding from this grant, I produced 26 publications. These include a book-long monograph on "Holographic Quantum Matter" that is currently in press with MIT press. The remainder were mostly published in Physical Review Letters, the Journal of High Energy Physics, Nature Physics, Classical and Quantum Gravity and Physical Review B. Over this period, the field of holography applied to condensed matter physics developed from a promising theoretical approach to a mature conceptual and practical edifice, whose ideas were realized in experiments. My own work played a central role in this development. In particular, in the final year of this grant, I co-authored two experimental papers in which ideas that I had developed in earlier years were shown to usefully describe transport in strongly correlated materials — these papers were published in Science and in the Proceedings of the National Academy of Sciences (obviously my contribution to these papers was theoretical). My theoretical work in this period developed several new directions of research that have proven to be influential. These include (i) The construction of highly inhomogeneous black hole event horizons, realizing disordered fixed points and describing new regimes of classical gravity, (ii) The conjecture of a bound on diffusivities that could underpin transport in strongly interacting media — an idea which may be proven in the near future and has turned out to be intimately connected to studies of quantum chaos in black holes and strongly correlated media, (iii) The characterization of new forms of hydrodynamic transport, e.g. with phase-disordered order parameters. These studies pertain to key open questions in our understanding of how non-quasiparticle, intrinsically strongly interacting systems can behave. In addition to the interface between holography and strongly interacting condensed matter systems, I made several advances on understanding the role of entanglement in quantum

  11. Efficient, Long-Life Biocidal Condenser, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Environmental control systems for manned lunar and planetary bases will require condensing heat exchangers to control humidity. Condensing surfaces must be...

  12. Malate synthase: proof of a stepwise Claisen condensation using the double-isotope fractionation test

    International Nuclear Information System (INIS)

    Clark, J.D.; O'Keefe, S.J.; Knowles, J.R.

    1988-01-01

    Although aldolase-catalyzed condensations proceed by stepwise mechanisms via the intermediacy of nucleophilic enol(ate)s or enamines, the mechanisms of those enzymes that catalyze Claisen-type condensations are unclear. The reaction pathway followed by an enzyme from this second group, malate synthase, has been studied by the double-isotope fractionation method to determine whether the reaction is stepwise or concerted. In agreement with earlier work, a deuterium kinetic isotope effect /sup D/(V/K) of 1.3 +/- 0.1 has been found when [ 2 H 3 ]acetyl-CoA is the substrate. The 13 C isotope effect at the aldehydic carbon of glyoxylate has also been measured. For this determination, the malate product was quantitatively transformed into a new sample of malate having the carbon of interest at C-4. This material was decarboxylated by malic enzyme to produce the appropriate CO 2 for isotope ratio mass spectrometric analysis. The 13 C isotope effect with [ 1 H 3 ]acetyl-CoA is 1.0037 +/- 0.0004. By use of the known values of the intermolecular and intramolecular deuterium effects and of 13 (V/K)/sub H/, the value of the 13 C isotope effect when deuteriated [ 2 H 3 ]acetyl-CoA is the substrate can be predicted for three possible mechanisms. The results show clearly that the two salient characteristics of enzymes that catalyze Claisen-like condensations, namely, the absence of enzyme-catalyzed proton exchange with solvent and the inversion of the configuration at the nucleophilic center, which had been suggestive of a concerted pathway, are not mechanistically diagnostic

  13. Nautilus Centripetal Capillary Condenser, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A Nautilus Centripetal Capillary Condenser (NCCC) is proposed for the microgravity compatible removal of water from a saturated air stream. Successful development of...

  14. High temperature Bose-Einstein condensation

    Directory of Open Access Journals (Sweden)

    Begun Viktor

    2016-01-01

    Full Text Available The indications of a possible pion condensation at the LHC are summarized. The condensation is predicted by the non-equilibrium hadronization model for 2.76 TeV Pb+Pb collisions at the LHC. The model solves the proton/pion puzzle and reproduces the low pT enhancement of the pion spectra, as well as the spectra of protons and antiprotons, charged kaons, K0S, K*(8920 and ϕ(1020. The obtained parameters allow to estimate the amount of pion condensate on the level of 5% from the total number of pions at the LHC. The condensate is located at pT < 250 MeV.

  15. Kaon condensation in dense stellar matter

    International Nuclear Information System (INIS)

    Lee, Chang-Hwan; Rho, M.; Washington Univ., Seattle, WA

    1995-03-01

    This article combines two talks given by the authors and is based on Works done in collaboration with G.E. Brown and D.P. Min on kaon condensation in dense baryonic medium treated in chiral perturbation theory using heavy-baryon formalism. It contains, in addition to what was recently published, astrophysical backgrounds for kaon condensation discussed by Brown and Bethe, a discussion on a renormalization-group analysis to meson condensation worked out together with H.K. Lee and S.J. Sin, and the recent results of K.M. Westerberg in the bound-state approach to the Skyrme model. Negatively charged kaons are predicted to condense at a critical density 2 approx-lt ρ/ρo approx-lt 4, in the range to allow the intriguing new phenomena predicted by Brown and Bethe to take place in compact star matter

  16. Fundamentals of evaporation and condensation phenomena

    International Nuclear Information System (INIS)

    Munir, Z.A.

    1979-01-01

    Fundamental relationships governing evaporation and condensation processes are reviewed. The terrace-ledge-kink (TLK) model is discussed in terms of atomic steps comprising growth and evaporation of crystals. Recent results in the field are described

  17. Accretion of Ghost Condensate by Black Holes

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, A

    2004-06-02

    The intent of this letter is to point out that the accretion of a ghost condensate by black holes could be extremely efficient. We analyze steady-state spherically symmetric flows of the ghost fluid in the gravitational field of a Schwarzschild black hole and calculate the accretion rate. Unlike minimally coupled scalar field or quintessence, the accretion rate is set not by the cosmological energy density of the field, but by the energy scale of the ghost condensate theory. If hydrodynamical flow is established, it could be as high as tenth of a solar mass per second for 10MeV-scale ghost condensate accreting onto a stellar-sized black hole, which puts serious constraints on the parameters of the ghost condensate model.

  18. Recent developments in Bose-Einstein condensation

    Energy Technology Data Exchange (ETDEWEB)

    Kalman, G.

    1997-09-22

    This paper contains viewgraphs on developments on Bose-Einstein condensation. Some topics covered are: strongly coupled coulomb systems; standard response functions of the first and second kind; dynamical mean field theory; quasi localized charge approximation; and the main equations.

  19. Conditions for maximum isolation of stable condensate during separation in gas-condensate systems

    Energy Technology Data Exchange (ETDEWEB)

    Trivus, N.A.; Belkina, N.A.

    1969-02-01

    A thermodynamic analysis is made of the gas-liquid separation process in order to determine the relationship between conditions of maximum stable condensate separation and physico-chemical nature and composition of condensate. The analysis was made by considering the multicomponent gas-condensate fluid produced from Zyrya field as a ternary system, composed of methane, an intermediate component (propane and butane) and a heavy residue, C/sub 6+/. Composition of 5 ternary systems was calculated for a wide variation in separator conditions. At each separator pressure there is maximum condensate production at a certain temperature. This occurs because solubility of condensate components changes with temperature. Results of all calculations are shown graphically. The graphs show conditions of maximum stable condensate separation.

  20. Stabilization flyuorytopodibnoyi structure in oxide vacuum condensate

    Directory of Open Access Journals (Sweden)

    О.М. Заславський

    2006-01-01

    Full Text Available  The influence of the oxide-stabilizer content, M'-cation radius and film deposition temperature on the stabilization of the fluorite-like solid solutions in the zirconium and hafnium oxides-based vacuum condensates, obtained by Laser-evaporating method, was investigated. The optimum parameters of the coatication of the isotropic thermostable coverings was determined. This results were explained by using of the high-speed condensation in vacuum theory.

  1. Gauge independence of the Ao-condensate

    International Nuclear Information System (INIS)

    Skalozub, V.V.

    1992-01-01

    The problem of gauge dependence of the zero gauge field component condensate. A o =const, in the framework of finite temperature SU(2) gluodynamics is investigated. In straight-forward calculations it is shown that the two-loop effective action W(A o ,ζ) satisfies the generalized Nielsen identity. Thus, the gauge invariance of the A o -condensation is proved. 12 refs. (author)

  2. Condenser cooling water quality at Kaiga

    International Nuclear Information System (INIS)

    Namboodiri, E.G.A.

    1995-01-01

    Once-through circulation of river water is envisaged in Kaiga for cooling the condenser and other related equipment. Water drawn from Kali river will be used for this purpose. After cooling the condenser, the water is let into the river through the outfall system. The materials used in the cooling water system consist mainly of SS 316 and carbon steel. Chlorination is the treatment proposed to the cooling water. The cooling water quality is found to be satisfactory. (author). 2 refs

  3. Condensate of massive graviton and dark matter

    OpenAIRE

    Aoki, Katsuki; Maeda, Kei-ichi

    2018-01-01

    We study coherently oscillating massive gravitons in the ghost-free bigravity theory. This coherent field can be interpreted as a condensate of the massive gravitons. We first define the effective energy-momentum tensor of the coherent massive gravitons in a curved spacetime. We then study the background dynamics of the universe and the cosmic structure formation including the effects of the coherent massive gravitons. We find that the condensate of the massive graviton behaves as a dark matt...

  4. Vector condensate model of electroweak interactions

    International Nuclear Information System (INIS)

    Cynolter, G.; Pocsik, G.

    1997-01-01

    Motivated by the fact that the Higgs is not seen, a new version of the standard model is proposed where the scalar doublet is replaced by a vector doublet and its neutral member forms a nonvanishing condensate. Gauge fields are coupled to the new vector fields B in a gauge invariant way leading to mass terms for the gauge fields by condensation. The model is presented and some implications are discussed. (K.A.)

  5. Fermion condensation and gapped domain walls in topological orders

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Yidun [Department of Physics and Center for Field Theory and Particle Physics, Fudan University,Shanghai 200433 (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing University,Nanjing 210093 (China); Perimeter Institute for Theoretical Physics,Waterloo N2L 2Y5, Ontario (Canada); Wang, Chenjie [Perimeter Institute for Theoretical Physics,Waterloo N2L 2Y5, Ontario (Canada)

    2017-03-31

    We study fermion condensation in bosonic topological orders in two spatial dimensions. Fermion condensation may be realized as gapped domain walls between bosonic and fermionic topological orders, which may be thought of as real-space phase transitions from bosonic to fermionic topological orders. This picture generalizes the previous idea of understanding boson condensation as gapped domain walls between bosonic topological orders. While simple-current fermion condensation was considered before, we systematically study general fermion condensation and show that it obeys a Hierarchy Principle: a general fermion condensation can always be decomposed into a boson condensation followed by a minimal fermion condensation. The latter involves only a single self-fermion that is its own anti-particle and that has unit quantum dimension. We develop the rules of minimal fermion condensation, which together with the known rules of boson condensation, provides a full set of rules for general fermion condensation.

  6. Spatial Control of Condensation using Chemical Micropatterns

    Science.gov (United States)

    Murphy, Kevin; Hansen, Ryan; Nath, Saurabh; Retterer, Scott; Collier, Patrick; Boreyko, Jonathan; Nature-Inspired Fluids; Interfaces Team; CenterNanophase Materials Sciences Team

    2015-11-01

    Surfaces exhibiting wettability patterns can spatially control the nucleation of condensation to enable enhanced fog harvesting and phase-change heat transfer. To date, studies of patterned condensation have utilized a combination of chemical and topographical features, making it difficult to isolate the effects of intrinsic wettability versus surface roughness on spatially controlling the condensate. Here, we fabricate chemical micropatterns consisting of hydrophilic silicon oxide and a smooth hydrophobic silane monolayer to isolate the effects of changes in intrinsic wettability on the spatial control of condensation. Complete spatial control, defined as every nucleation and growth event occurring exclusively on the hydrophilic features, was observed even for supercooled droplets at high water vapor supersaturation. However, this complete spatial control was found to break down beyond a critical spacing that depended upon the extent of supersaturation. The average diameter of condensate was found to be smaller for the chemically micropatterned surfaces compared to a uniformly hydrophobic surface. Control of inter-droplet spacing between supercooled condensate through chemical patterning can be employed to minimize the growth of inter-droplet frost on cold surfaces.

  7. Primes, Geometry and Condensed Matter

    Directory of Open Access Journals (Sweden)

    Al Rabeh R. H.

    2009-07-01

    Full Text Available Fascination with primes dates back to the Greeks and before. Primes are named by some “the elementary particles of arithmetic” as every nonprime integer is made of a unique set of primes. In this article we point to new connections between primes, geometry and physics which show that primes could be called “the elementary particles of physics” too. This study considers the problem of closely packing similar circles / spheres in 2D / 3D space. This is in effect a discretization process of space and the allowable num- ber in a pack is found to lead to some unexpected cases of prime configurations which is independent of the size of the constituents. We next suggest that a non-prime can be considered geometrically as a symmetric collection that is separable (factorable into similar parts- six is two threes or three twos for example. A collection that has no such symmetry is a prime. As a result, a physical prime aggregate is more difficult to split symmetrically resulting in an inherent stability. This “number / physical” stability idea applies to bigger collections made from smaller (prime units leading to larger sta- ble prime structures in a limitless scaling up process. The distribution of primes among numbers can be understood better using the packing ideas described here and we further suggest that differing numbers (and values of distinct prime factors making a nonprime collection is an important factor in determining the probability and method of possible and subsequent disintegration. Disintegration is bound by energy conservation and is closely related to symmetry by Noether theorems. Thinking of condensed matter as the packing of identical elements, we examine plots of the masses of chemical elements of the periodic table, and also those of the elementary particles of physics, and show that prime packing rules seem to play a role in the make up of matter. The plots show con- vincingly that the growth of prime numbers and that

  8. Primes, Geometry and Condensed Matter

    Directory of Open Access Journals (Sweden)

    Al Rabeh R. H.

    2009-07-01

    Full Text Available Fascination with primes dates back to the Greeks and before. Primes are named by some "the elementary particles of arithmetic" as every nonprime integer is made of a unique set of primes. In this article we point to new connections between primes, geometry and physics which show that primes could be called "the elementary particles of physics" too. This study considers the problem of closely packing similar circles/spheres in 2D/3D space. This is in effect a discretization process of space and the allowable number in a pack is found to lead to some unexpected cases of prime configurations which is independent of the size of the constituents. We next suggest that a non-prime can be considered geometrically as a symmetric collection that is separable (factorable into similar parts- six is two threes or three twos for example. A collection that has no such symmetry is a prime. As a result, a physical prime aggregate is more difficult to split symmetrically resulting in an inherent stability. This "number/physical" stability idea applies to bigger collections made from smaller (prime units leading to larger stable prime structures in a limitless scaling up process. The distribution of primes among numbers can be understood better using the packing ideas described here and we further suggest that differing numbers (and values of distinct prime factors making a nonprime collection is an important factor in determining the probability and method of possible and subsequent disintegration. Disintegration is bound by energy conservation and is closely related to symmetry by Noether theorems. Thinking of condensed matter as the packing of identical elements, we examine plots of the masses of chemical elements of the periodic table, and also those of the elementary particles of physics, and show that prime packing rules seem to play a role in the make up of matter. The plots show convincingly that the growth of prime numbers and that of the masses of

  9. Mitotic chromosome condensation in vertebrates

    Energy Technology Data Exchange (ETDEWEB)

    Vagnarelli, Paola, E-mail: P.Vagnarelli@ed.ac.uk

    2012-07-15

    Work from several laboratories over the past 10-15 years has revealed that, within the interphase nucleus, chromosomes are organized into spatially distinct territories [T. Cremer, C. Cremer, Chromosome territories, nuclear architecture and gene regulation in mammalian cells, Nat. Rev. Genet. 2 (2001) 292-301 and T. Cremer, M. Cremer, S. Dietzel, S. Muller, I. Solovei, S. Fakan, Chromosome territories-a functional nuclear landscape, Curr. Opin. Cell Biol. 18 (2006) 307-316]. The overall compaction level and intranuclear location varies as a function of gene density for both entire chromosomes [J.A. Croft, J.M. Bridger, S. Boyle, P. Perry, P. Teague,W.A. Bickmore, Differences in the localization and morphology of chromosomes in the human nucleus, J. Cell Biol. 145 (1999) 1119-1131] and specific chromosomal regions [N.L. Mahy, P.E. Perry, S. Gilchrist, R.A. Baldock, W.A. Bickmore, Spatial organization of active and inactive genes and noncoding DNA within chromosome territories, J. Cell Biol. 157 (2002) 579-589] (Fig. 1A, A'). In prophase, when cyclin B activity reaches a high threshold, chromosome condensation occurs followed by Nuclear Envelope Breakdown (NEB) [1]. At this point vertebrate chromosomes appear as compact structures harboring an attachment point for the spindle microtubules physically recognizable as a primary constriction where the two sister chromatids are held together. The transition from an unshaped interphase chromosome to the highly structured mitotic chromosome (compare Figs. 1A and B) has fascinated researchers for several decades now; however a definite picture of how this process is achieved and regulated is not yet in our hands and it will require more investigation to comprehend the complete process. From a biochemical point of view a vertebrate mitotic chromosomes is composed of DNA, histone proteins (60%) and non-histone proteins (40%) [6]. I will discuss below what is known to date on the contribution of these two different classes

  10. Mitotic chromosome condensation in vertebrates

    International Nuclear Information System (INIS)

    Vagnarelli, Paola

    2012-01-01

    Work from several laboratories over the past 10–15 years has revealed that, within the interphase nucleus, chromosomes are organized into spatially distinct territories [T. Cremer, C. Cremer, Chromosome territories, nuclear architecture and gene regulation in mammalian cells, Nat. Rev. Genet. 2 (2001) 292–301 and T. Cremer, M. Cremer, S. Dietzel, S. Muller, I. Solovei, S. Fakan, Chromosome territories—a functional nuclear landscape, Curr. Opin. Cell Biol. 18 (2006) 307–316]. The overall compaction level and intranuclear location varies as a function of gene density for both entire chromosomes [J.A. Croft, J.M. Bridger, S. Boyle, P. Perry, P. Teague,W.A. Bickmore, Differences in the localization and morphology of chromosomes in the human nucleus, J. Cell Biol. 145 (1999) 1119–1131] and specific chromosomal regions [N.L. Mahy, P.E. Perry, S. Gilchrist, R.A. Baldock, W.A. Bickmore, Spatial organization of active and inactive genes and noncoding DNA within chromosome territories, J. Cell Biol. 157 (2002) 579–589] (Fig. 1A, A'). In prophase, when cyclin B activity reaches a high threshold, chromosome condensation occurs followed by Nuclear Envelope Breakdown (NEB) [1]. At this point vertebrate chromosomes appear as compact structures harboring an attachment point for the spindle microtubules physically recognizable as a primary constriction where the two sister chromatids are held together. The transition from an unshaped interphase chromosome to the highly structured mitotic chromosome (compare Figs. 1A and B) has fascinated researchers for several decades now; however a definite picture of how this process is achieved and regulated is not yet in our hands and it will require more investigation to comprehend the complete process. From a biochemical point of view a vertebrate mitotic chromosomes is composed of DNA, histone proteins (60%) and non-histone proteins (40%) [6]. I will discuss below what is known to date on the contribution of these two different

  11. Theoretical Investigation of Intramolecular Hydrogen Shift Reactions in 3-Methyltetrahydrofuran (3-MTHF) Oxidation.

    Science.gov (United States)

    Parab, Prajakta R; Sakade, Naoki; Sakai, Yasuyuki; Fernandes, Ravi; Heufer, K Alexander

    2015-11-05

    3-Methyltetrahydrofuran (3-MTHF) is proposed to be a promising fuel component among the cyclic oxygenated species. To have detailed insight of its combustion kinetics, intramolecular hydrogen shift reactions for the ROO to QOOH reaction class are studied for eight ROO isomers of 3-MTHF. Rate constants of all possible reaction paths that involve formation of cyclic transition states are computed by employing the CBS-QB3 composite method. A Pitzer-Gwinn-like approximation has been applied for the internal rotations in reactants, products, and transition states for the accurate treatment of hindered rotors. Calculated relative barrier heights highlight that the most favorable reaction channel proceeds via a six membered transition state, which is consistent with the computed rate constants. Comparing total rate constants in ROO isomers of 3-MTHF with the corresponding isomers of methylcyclopentane depicts faster kinetics in 3-MTHF than methylcyclopentane reflecting the effect of ring oxygen on the intramolecular hydrogen shift reactions.

  12. Long-range intramolecular electron transfer in aromatic radical anions and binuclear transition metal complexes

    DEFF Research Database (Denmark)

    Kuznetsov, A. M.; Ulstrup, Jens

    1981-01-01

    radicals containing two aromatic end groups connected by a flexible polymethylene chain or a rigid cyclohexane frame is thus trapped on either aromatic end group, and ET between these groups can be detected by ESR techniques. Intramolecular ET also occurs in binuclear transition metal complexes in which......, and for intramolecular and inner sphere ET for transition metal complexes. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....... the coupling between the metal centers [(Ru(II)/Ru(III) and Ru(II)/Co(III) couples] is sufficiently weak (class I or II mixed valence compounds). The ET mechanism can involve either direct transfer between the donor and acceptor groups or a higher order mechanism in which ET proceeds through intermediate...

  13. Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding.

    Science.gov (United States)

    Parrish, Robert M; Gonthier, Jérôme F; Corminbœuf, Clémence; Sherrill, C David

    2015-08-07

    We develop a simple methodology for the computation of symmetry-adapted perturbation theory (SAPT) interaction energy contributions for intramolecular noncovalent interactions. In this approach, the local occupied orbitals of the total Hartree-Fock (HF) wavefunction are used to partition the fully interacting system into three chemically identifiable units: the noncovalent fragments A and B and a covalent linker C. Once these units are identified, the noninteracting HF wavefunctions of the fragments A and B are separately optimized while embedded in the HF wavefunction of C, providing the dressed zeroth order wavefunctions for A and B in the presence of C. Standard two-body SAPT (particularly SAPT0) is then applied between the relaxed wavefunctions for A and B. This intramolecular SAPT procedure is found to be remarkably straightforward and efficient, as evidenced by example applications ranging from diols to hexaphenyl-ethane derivatives.

  14. Fast and versatile microwave-assisted intramolecular Heck reaction in peptide macrocyclization using microwave energy.

    Science.gov (United States)

    Byk, Gerardo; Cohen-Ohana, Mirit; Raichman, Daniel

    2006-01-01

    We have revisited the intramolecular Heck reaction and investigated the microwave-assisted macrocyclization on preformed peptides using a model series of ring-varying peptides acryloyl-Gly-[Gly](n)-Phe(4-I)NHR; n = 0-4. The method was applied to both solution and solid supported cyclizations. We demonstrate that the intramolecular Heck reaction can be performed in peptides both in solution and solid support using a modified domestic microwave within 1 to 30 minutes in DMF under reflux with moderate yields ranging from 15 to 25% for a scale between 2-45 mg of linear precursors. The approach was applied to the synthesis of a constrained biologically relevant peptidomimetic bearing an Arg-Gly-Asp (RGD) sequence. These results make the microwave-assisted Heck reaction an attractive renovated approach for peptidomimetics. Copyright 2006 Wiley Periodicals, Inc.

  15. Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C-H Bond Activation

    Energy Technology Data Exchange (ETDEWEB)

    Harada, Hitoshi; Thalji, Reema; Bergman, Robert; Ellman, Jonathan

    2008-05-22

    Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe){sub 2}]{sub 2} and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer.

  16. Enantioselective intramolecular hydroarylation of alkenes via directed C-H bond activation.

    Science.gov (United States)

    Harada, Hitoshi; Thalji, Reema K; Bergman, Robert G; Ellman, Jonathan A

    2008-09-05

    Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe)2]2 and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer.

  17. Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C–H Bond Activation

    Science.gov (United States)

    Harada, Hitoshi; Thalji, Reema K.; Bergman, Robert G.; Ellman, Jonathan A.

    2008-01-01

    Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe)2]2 and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer. PMID:18681407

  18. Ciclização intramolecular de 2-(w-Bromoalquiloxi) anilinas /

    OpenAIRE

    Martendal, Adriano

    1999-01-01

    Dissertação (Mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Ciclizações intramoleculares podem ser estudadas como modelos miméticos de catálise enzimática. Esses modelos fundamentam-se no princípio de que os parâmetros físico-químicos que governam a reatividade entre dois grupamentos funcionais em uma reação intramolecular, estejam presentes também no mecanismo da ação enzimática. Os brometos de 2-(w-bromoalquiloxi)anilínio e 2-(w-bromoalquilo...

  19. EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions

    Science.gov (United States)

    Compernolle, S.; Ceulemans, K.; Müller, J.-F.

    2011-09-01

    We present EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for Temperature, Intramolecular, and Non-additivity effects), a method to predict (subcooled) liquid pure compound vapour pressure p0 of organic molecules that requires only molecular structure as input. The method is applicable to zero-, mono- and polyfunctional molecules. A simple formula to describe log10p0(T) is employed, that takes into account both a wide temperature dependence and the non-additivity of functional groups. In order to match the recent data on functionalised diacids an empirical modification to the method was introduced. Contributions due to carbon skeleton, functional groups, and intramolecular interaction between groups are included. Molecules typically originating from oxidation of biogenic molecules are within the scope of this method: aldehydes, ketones, alcohols, ethers, esters, nitrates, acids, peroxides, hydroperoxides, peroxy acyl nitrates and peracids. Therefore the method is especially suited to describe compounds forming secondary organic aerosol (SOA).

  20. A colorimetric and ratiometric fluorescent probe for sulfite based on an intramolecular cleavage mechanism.

    Science.gov (United States)

    Hou, Peng; Chen, Song; Voitchovsky, Kislon; Song, Xiangzhi

    2014-11-01

    A colorimetric and ratiometric fluorescent sulfite probe, the levulinate of 4-hydroxynaphthalimide, was successfully synthesized from 4-hydroxy-naphthalimide and levulinic acid. Through sulfite-mediated intramolecular cleavage, the probe was converted into 4-hydroxynaphthalimide, which when excited at 450 nm, displayed a large Stokes shift due to the intramolecular charge transfer process. The probe exhibited high selectivity and sensitivity towards sulfite over other typical anionic species (F(-), Cl(-), Br(-), I(-), HPO(4)(2-), SO(4)(2-), NO(3)(-), AcO(-), ClO(4)(-), HCO(3)(-)) in HEPES-buffered solution (25 mm, pH 7.4, 50% acetonitrile, v/v). Copyright © 2013 John Wiley & Sons, Ltd.

  1. Implementation of non-condensable gases condensation suppression model into the WCOBRA/TRAC-TF2 LOCA safety evaluation code

    International Nuclear Information System (INIS)

    Liao, J.; Cao, L.; Ohkawa, K.; Frepoli, C.

    2012-01-01

    The non-condensable gases condensation suppression model is important for a realistic LOCA safety analysis code. A condensation suppression model for direct contact condensation was previously developed by Westinghouse using first principles. The model is believed to be an accurate description of the direct contact condensation process in the presence of non-condensable gases. The Westinghouse condensation suppression model is further revised by applying a more physical model. The revised condensation suppression model is thus implemented into the WCOBRA/TRAC-TF2 LOCA safety evaluation code for both 3-D module (COBRA-TF) and 1-D module (TRAC-PF1). Parametric study using the revised Westinghouse condensation suppression model is conducted. Additionally, the performance of non-condensable gases condensation suppression model is examined in the ACHILLES (ISP-25) separate effects test and LOFT L2-5 (ISP-13) integral effects test. (authors)

  2. Some kinetic and spectroscopic evidence on intramolecular relaxation processes in polyatomic molecules

    International Nuclear Information System (INIS)

    Quack, M.

    1983-01-01

    The description and definition of intramolecular vibrational relaxation processes is discussed within the framework of the quantum mechanical and statistical mechanical equations of motion. The evidence from quite different experimental sources is summarized under the common aspect of vibrational relaxation. Although much of the evidence remains ambiguous, there is good indication that a localized vibrational excitation relaxes typically in 0.1 to 10 picoseconds, which is long compared to many optical and reactive processes

  3. A Concomitant Allylic Azide Rearrangement/Intramolecular Azide–Alkyne Cycloaddition Sequence

    Science.gov (United States)

    2015-01-01

    An intramolecular Huisgen cycloaddition of an interconverting set of isomeric allylic azides with alkynes affords substituted triazoles in high yield. The stereoisomeric vinyl-substituted triazoloxazines formed depend on the rate of cycloaddition of the different allylic azide precursors when the reaction is carried out under thermal conditions. In contrast, dimerized macrocyclic products were obtained when the reaction was done using copper(I)-catalyzed conditions, demonstrating the ability to control the reaction products through changing conditions. PMID:24635056

  4. Intramolecular Azide to Alkene Cycloadditions for the Construction of Pyrrolobenzodiazepines and Azetidino-Benzodiazepines

    Directory of Open Access Journals (Sweden)

    Karl Hemming

    2014-10-01

    Full Text Available The coupling of proline- and azetidinone-substituted alkenes to 2-azidobenzoic and 2-azidobenzenesulfonic acid gives precursors that undergo intramolecular azide to alkene 1,3-dipolar cycloadditions to give imine-, triazoline- or aziridine-containing pyrrolo[1,4]benzodiazepines (PBDs, pyrrolo[1,2,5]benzothiadiazepines (PBTDs, and azetidino[1,4]benzodiazepines. The imines and aziridines are formed after loss of nitrogen from a triazoline cycloadduct. The PBDs are a potent class of antitumour antibiotics.

  5. Efficient intramolecular cyclizations of phenoxyethynyl diols into multisubstituted α,β-unsaturated lactones.

    Science.gov (United States)

    Egi, Masahiro; Ota, Yuya; Nishimura, Yuka; Shimizu, Kaori; Azechi, Kenji; Akai, Shuji

    2013-08-16

    AgOTf-catalyzed intramolecular cyclization of phenoxyethynyl diols proceeded under mild conditions to afford the multisubstituted α,β-unsaturated-γ-lactones in 55-98% yields. This method was also applicable to the synthesis of α,β-unsaturated-δ-lactones. A similar cyclization proceeded when AgOTf was replaced with a stoichiometric amount of N-bromosuccinimide to furnish the α-bromo-substituted α,β-unsaturated lactones.

  6. An intramolecular inverse electron demand Diels–Alder approach to annulated α-carbolines

    Directory of Open Access Journals (Sweden)

    Zhiyuan Ma

    2012-06-01

    Full Text Available Intramolecular inverse electron demand cycloadditions of isatin-derived 1,2,4-triazines with acetylenic dienophiles tethered by amidations or transesterifications proceed in excellent yields to produce lactam- or lactone-fused α-carbolines. Beginning with various isatins and alkynyl dienophiles, a pilot-scale library of eighty-eight α-carbolines was prepared by using this robust methodology for biological evaluation.

  7. Intramolecular electron transfer through a bridging carboxylate group coordinated to two cobalt(III)-ions

    International Nuclear Information System (INIS)

    Wieghardt, K.

    1978-01-01

    Reduction of the binuclear μ-p-nitrobenzoato -di-μ-hydroxo -bis[triammine cobalt(III)] cation with (CH 3 ) 2 COH radicals yields a radical cation with the p-nitrobenzoato radical being coordinated to two cobalt(III) ions at the carboxylic group. The unprotonated form of this species undergoes intramolecular electron transfer producing Co(II) (k = (3.3 +- 0.3). x 10 3 s -1 ). The role of the carboxylate group in the intramolecular electron transfer process is tentatively assessed in terms of an intramolecular outer-sphere reaction because of lack of overlap of the donor orbitals (π) and the acceptor orbital (sigma). The protonated form of the radical cation (pKsub(a) = 2.5) disproportionates via a bimolecular process without production of Co(II). The effect of two coordinated Co(III) ions as compared to only one on the properties of the nitrobenzoate radical anion are discussed. (orig.) 891 HK 892 GM [de

  8. THE ROLE OF INTRAMOLECULAR TIES ENERGY IN THE PYROLYSIS PROCESS OF PET

    Directory of Open Access Journals (Sweden)

    P. Iu. Salikov

    2014-01-01

    Full Text Available Summary. Recycling plastic waste to focus on. The main type of used products made of polyethylene terephthalate (PET is a container from the various types of beverages. There was considered a possibility of waste of PET (bottles, bottles, packaging containers by pyrolysis. Most of the proposed methods are not suitable for recycling (recycling of waste consumption contamination. Purpose - to develop technological foundations and optimum modes waste PET to obtain useful secondary products, taking into account the energy of chemical intramolecular bonds. Applied scientific basis of recycling PET into useful forms of secondary products, in particular the establishment of the collapse of the intramolecular bonds, depending on the temperature of the pyrolysis method of mathematical processing - differentiation of polynomial equations change in the degree of pyrolysis temperature-dependent. The optimum modes of processing. The block diagram of apparatus for processing contaminated waste PET pyrolysis methods of control processing in accordance with the specified composition of secondary products. The possibility of controlling the amount and types of fuel components of secondary products due to measurable parameters of the pyrolysis process. The effective temperature pyrolysis of waste PET with the CCA-tures energy intramolecular bonds.

  9. Time-Resolved Signatures across the Intramolecular Response in Substituted Cyanine Dyes

    Science.gov (United States)

    Nairat, Muath; Webb, Morgan; Esch, Michael; Lozovoy, Vadim V.; Levine, Benjamin G.; Dantus, Marcos

    2017-06-01

    The optically populated excited state wave packet propagates along multidimensional intramolecular coordinates soon after photoexcitation. This action occurs alongside an intermolecular response from the surrounding solvent. Disentangling the multidimensional convoluted signal enables the possibility to separate and understand the initial intramolecular relaxation pathways over the excited state potential energy surface. Here we track the initial excited state dynamics by measuring the fluorescence yield from the first excited state as a function of time delay between two color femtosecond pulses for several cyanine dyes, having different electronic configurations. We find that when the high frequency pulse precedes the low frequency one and for timescales up to 200 fs, the excited state can be depleted through stimulated emission with efficiency that is dependent on the molecular electronic structure. A similar observation at even shorter times was made by scanning the chirp (frequencies ordering) of a femtosecond pulse. These changes reflect the rate at which the nuclear coordinates of the excited state leave the Franck-Condon (FC) region and progress towards achieving equilibrium. Through functional group substitution, we explore these dynamic changes as a function of dipolar change following photoexcitation. We show that with proper knowledge and control over the phase of the excitation pulses, we can extract the relative energy relaxation rates through which the early intramolecular modes are populated at the FC geometry soon after excitation

  10. Cold Vacuum Drying facility condensate collection system design description

    International Nuclear Information System (INIS)

    PITKOFF, C.C.

    1999-01-01

    This document describes the Cold Vacuum Drying Facility (CVDF) condensate collection system (CCS). The function of the CCS is to collect cooling coil condensate from air-handling units in the CVDF and to isolate the condensate in collection tanks until the condensate is determined to be acceptable to drain to the effluent drain collection basin

  11. Improved condenser design and condenser-fan operation for air-cooled chillers

    International Nuclear Information System (INIS)

    Yu, F.W.; Chan, K.T.

    2006-01-01

    Air-cooled chillers traditionally operate under head pressure control via staging constant-speed condenser fans. This causes a significant drop in their coefficient of performance (COP) at part load or low outdoor temperatures. This paper describes how the COP of these chillers can be improved by a new condenser design, using evaporative pre-coolers and variable-speed fans. A thermodynamic model for an air-cooled screw-chiller was developed, within which the condenser component considers empirical equations showing the effectiveness of an evaporative pre-cooler in lowering the outdoor temperature in the heat-rejection process. The condenser component also contains an algorithm to determine the number and speed of the condenser fans staged at any given set point of condensing temperature. It is found that the chiller's COP can be maximized by adjusting the set point based on any given chiller load and wet-bulb temperature of the outdoor air. A 5.6-113.4% increase in chiller COP can be achieved from the new condenser design and condenser fan operation. This provides important insights into how to develop more energy-efficient air-cooled chillers

  12. GENOTOXICITY OF TEN CIGARETTE SMOKE CONDENSATES IN FOUR TEST SYSTEMS: COMPARISONS BETWEEN ASSAYS AND CONDENSATES

    Science.gov (United States)

    What is the study? This the first assessment of a set of cigarette smoke condensates from a range of cigarette types in a variety (4) of short-term genotoxicity assays. Why was it done? No such comparative study of cigarette smoke condensates has been reported. H...

  13. Steam condensation modelling in aerosol codes

    International Nuclear Information System (INIS)

    Dunbar, I.H.

    1986-01-01

    The principal subject of this study is the modelling of the condensation of steam into and evaporation of water from aerosol particles. These processes introduce a new type of term into the equation for the development of the aerosol particle size distribution. This new term faces the code developer with three major problems: the physical modelling of the condensation/evaporation process, the discretisation of the new term and the separate accounting for the masses of the water and of the other components. This study has considered four codes which model the condensation of steam into and its evaporation from aerosol particles: AEROSYM-M (UK), AEROSOLS/B1 (France), NAUA (Federal Republic of Germany) and CONTAIN (USA). The modelling in the codes has been addressed under three headings. These are the physical modelling of condensation, the mathematics of the discretisation of the equations, and the methods for modelling the separate behaviour of different chemical components of the aerosol. The codes are least advanced in area of solute effect modelling. At present only AEROSOLS/B1 includes the effect. The effect is greater for more concentrated solutions. Codes without the effect will be more in error (underestimating the total airborne mass) the less condensation they predict. Data are needed on the water vapour pressure above concentrated solutions of the substances of interest (especially CsOH and CsI) if the extent to which aerosols retain water under superheated conditions is to be modelled. 15 refs

  14. Increasing the efficiency of the condensing boiler

    Science.gov (United States)

    Zaytsev, ON; Lapina, EA

    2017-11-01

    Analysis of existing designs of boilers with low power consumption showed that the low efficiency of the latter is due to the fact that they work in most cases when the heating period in the power range is significantly less than the nominal power. At the same time, condensing boilers do not work in the most optimal mode (in condensing mode) in the central part of Russia, a significant part of their total operating time during the heating season. This is due to existing methods of equipment selection and joint operation with heating systems with quantitative control of the coolant. It was also revealed that for the efficient operation of the heating system, it is necessary to reduce the inertia of the heat generating equipment. Theoretical patterns of thermal processes in the furnace during combustion gas at different radiating surfaces location schemes considering the influence of the very furnace configuration, characterized in that to reduce the work condensing boiler in conventional gas boiler operation is necessary to maintain a higher temperature in the furnace (in the part where spiral heat exchangers are disposed), which is possible when redistributing heat flow - increase the proportion of radiant heat from the secondary burner emitter allow Perey For the operation of the condensing boiler in the design (condensation) mode practically the entire heating period.

  15. Laser Isotope Separation Employing Condensation Repression

    Energy Technology Data Exchange (ETDEWEB)

    Eerkens, Jeff W.; Miller, William H.

    2004-09-15

    Molecular laser isotope separation (MLIS) techniques using condensation repression (CR) harvesting are reviewed and compared with atomic vapor laser isotope separation (AVLIS), gaseous diffusion (DIF), ultracentrifuges (UCF), and electromagnetic separations (EMS). Two different CR-MLIS or CRISLA (Condensation Repression Isotope Separation by Laser Activation) approaches have been under investigation at the University of Missouri (MU), one involving supersonic super-cooled free jets and dimer formation, and the other subsonic cold-wall condensation. Both employ mixtures of an isotopomer (e.g. {sup i}QF{sub 6}) and a carrier gas, operated at low temperatures and pressures. Present theories of VT relaxation, dimerization, and condensation are found to be unsatisfactory to explain/predict experimental CRISLA results. They were replaced by fundamentally new models that allow ab-initio calculation of isotope enrichments and predictions of condensation parameters for laser-excited and non-excited vapors which are in good agreement with experiment. Because of supersonic speeds, throughputs for free-jet CRISLA are a thousand times higher than cold-wall CRISLA schemes, and thus preferred for large-quantity Uranium enrichments. For small-quantity separations of (radioactive) medical isotopes, the simpler coldwall CRISLA method may be adequate.

  16. The NSF Condensed Matter Physics Program

    Science.gov (United States)

    Sokol, Paul

    The Condensed Matter Physics (CMP) program in the NSF Division of Materials Research (DMR) supports experimental, as well as combined experiment and theory projects investigating the fundamental physics behind phenomena exhibited by condensed matter systems. CMP is the largest Individual Investigator Award program in DMR and supports a broad portfolio of research spanning both hard and soft condensed matter. Representative research areas include: 1) phenomena at the nano- to macro-scale including: transport, magnetic, and optical phenomena; classical and quantum phase transitions; localization; electronic, magnetic, and lattice structure or excitations; superconductivity; topological insulators; and nonlinear dynamics. 2) low-temperature physics: quantum fluids and solids; 1D & 2D electron systems. 3) soft condensed matter: partially ordered fluids, granular and colloid physics, liquid crystals, and 4) understanding the fundamental physics of new states of matter as well as the physical behavior of condensed matter under extreme conditions e.g., low temperatures, high pressures, and high magnetic fields. In this talk I will review the current CMP portfolio and discuss future funding trends for the program. I will also describe recent activities in the program aimed at addressing the challenges facing current and future principal investigators.

  17. Condensate and feedwater systems, pumps, and water chemistry. Volume seven

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    Subject matter includes condensate and feedwater systems (general features of condensate and feedwater systems, condenser hotwell level control, condensate flow, feedwater flow), pumps (principles of fluid flow, types of pumps, centrifugal pumps, positive displacement pumps, jet pumps, pump operating characteristics) and water chemistry (water chemistry fundamentals, corrosion, scaling, radiochemistry, water chemistry control processes, water pretreatment, PWR water chemistry, BWR water chemistry, condenser circulating water chemistry

  18. Heavy-quark expansion, factorization and 8-dimensional gluon condensates

    International Nuclear Information System (INIS)

    Bagan, E.; Latorre, J.I.; Pascual, P.; Tarrach, R.

    1985-01-01

    We analyze the phenomenon of heavy-quark condensation within the framework of the QCD sum rule approach, and apply the consequences of this analysis to the heavy-quark expansion. This technique allows one to relate 6-dimensional quark condensates with quartic 8-dimensional gluon condensates. Factorization of the quark condensates together with the specific feature of 3 condensates, which we believe to be well-founded. (orig.)

  19. Intramolecular stable isotope distributions detect plant metabolic responses on century time scales

    Science.gov (United States)

    Schleucher, Jürgen; Ehlers, Ina; Augusti, Angela; Betson, Tatiana

    2014-05-01

    Plants respond to environmental changes on a vast range of time scales, and plant gas exchanges constitute important feedback mechanisms in the global C cycle. Responses on time scales of decades to centuries are most important for climate models, for prediction of crop productivity, and for adaptation to climate change. Unfortunately, responses on these timescale are least understood. We argue that the knowledge gap on intermediate time scales is due to a lack of adequate methods that can bridge between short-term manipulative experiments (e.g. FACE) and paleo research. Manipulative experiments in plant ecophysiology give information on metabolism on time scales up to years. However, this information cannot be linked to results from retrospective studies in paleo research, because little metabolic information can be derived from paleo archives. Stable isotopes are prominent tools in plant ecophysiology, biogeochemistry and in paleo research, but in all applications to date, isotope ratios of whole molecules are measured. However, it is well established that stable isotope abundance varies among intramolecular groups of biochemical metabolites, that is each so-called "isotopomer" has a distinct abundance. This intramolecular variation carries information on metabolic regulation, which can even be traced to individual enzymes (Schleucher et al., Plant, Cell Environ 1999). Here, we apply intramolecular isotope distributions to study the metabolic response of plants to increasing atmospheric [CO2] during the past century. Greenhouse experiments show that the deuterium abundance among the two positions in the C6H2 group of photosynthetic glucose depends on [CO2] during growth. This is observed for all plants using C3 photosynthesis, and reflects the metabolic flux ratio between photorespiration and photosynthesis. Photorespiration is a major C flux that limits assimilation in C3 plants, which encompass the overwhelming fraction of terrestrial photosynthesis and the

  20. Preoperational test report, recirculation condenser cooling systems

    Energy Technology Data Exchange (ETDEWEB)

    Clifton, F.T.

    1997-11-04

    This represents a preoperational test report for Recirculation Condenser Systems, Project W-030. Project W-030 provides a ventilation upgrade for the four Aging Waste Facility tanks. The four system provide condenser cooling water for vapor space cooling of tanks AY1O1, AY102, AZ1O1, AZ102. Each system consists of a valved piping loop, a pair of redundant recirculation pumps, a closed-loop evaporative cooling tower, and supporting instrumentation; equipment is located outside the farm on concrete slabs. Piping is routed to the each ventilation condenser inside the farm via below-grade concrete trenches. The tests verify correct system operation and correct indications displayed by the central Monitor and Control System.

  1. Preoperational test report, recirculation condenser cooling systems

    International Nuclear Information System (INIS)

    Clifton, F.T.

    1997-01-01

    This represents a preoperational test report for Recirculation Condenser Systems, Project W-030. Project W-030 provides a ventilation upgrade for the four Aging Waste Facility tanks. The four system provide condenser cooling water for vapor space cooling of tanks AY1O1, AY102, AZ1O1, AZ102. Each system consists of a valved piping loop, a pair of redundant recirculation pumps, a closed-loop evaporative cooling tower, and supporting instrumentation; equipment is located outside the farm on concrete slabs. Piping is routed to the each ventilation condenser inside the farm via below-grade concrete trenches. The tests verify correct system operation and correct indications displayed by the central Monitor and Control System

  2. Bose-Einstein condensation of atomic gases

    International Nuclear Information System (INIS)

    Anglin, J. R.; Ketterle, W.

    2003-01-01

    The early experiments on Bose-Einstein condensation in dilute atomic gases accomplished three longstanding goals. First, cooling of neutral atoms into their motional state, thus subjecting them to ultimate control, limited only by Heisenberg uncertainty relation. Second, creation of a coherent sample of atoms, in which all occupy the same quantum states, and the realization of atom lasers - devices that output coherent matter waves. And third, creation of gaseous quantum fluid, with properties that are different from the quantum liquids helium-3 and helium-4. The field of Bose-Einstein condensation of atomic gases has continued to progress rapidly, driven by the combination of new experimental techniques and theoretical advances. The family of quantum degenerate gases has grown, and now includes metastable and fermionic atoms. condensates have become an ultralow-temperature laboratory for atom optics, collisional physics and many-body physics, encompassing phonons, superfluidity, quantized vortices, Josephson junctions and quantum phase transitions. (author)

  3. From particle condensation to polymer aggregation

    Science.gov (United States)

    Janke, Wolfhard; Zierenberg, Johannes

    2018-01-01

    We draw an analogy between droplet formation in dilute particle and polymer systems. Our arguments are based on finite-size scaling results from studies of a two-dimensional lattice gas to three-dimensional bead-spring polymers. To set the results in perspective, we compare with in part rigorous theoretical scaling laws for canonical condensation in a supersaturated gas at fixed temperature, and derive corresponding scaling predictions for an undercooled gas at fixed density. The latter allows one to efficiently employ parallel multicanonical simulations and to reach previously not accessible scaling regimes. While the asymptotic scaling can not be observed for the comparably small polymer system sizes, they demonstrate an intermediate scaling regime also observable for particle condensation. Altogether, our extensive results from computer simulations provide clear evidence for the close analogy between particle condensation and polymer aggregation in dilute systems.

  4. Dropwise condensation on inclined textured surfaces

    CERN Document Server

    Khandekar, Sameer

    2014-01-01

    Dropwise Condensation on Textured Surfaces presents a holistic framework for understanding dropwise condensation through mathematical modeling and meaningful experiments. The book presents a review of the subject required to build up models as well as to design experiments. Emphasis is placed on the effect of physical and chemical texturing and their effect on the bulk transport phenomena. Application of the model to metal vapor condensation is of special interest. The unique behavior of liquid metals, with their low Prandtl number and high surface tension, is also discussed. The model predicts instantaneous drop size distribution for a given level of substrate subcooling and derives local as well as spatio-temporally averaged heat transfer rates and wall shear stress.

  5. Condensate of massive graviton and dark matter

    Science.gov (United States)

    Aoki, Katsuki; Maeda, Kei-ichi

    2018-02-01

    We study coherently oscillating massive gravitons in the ghost-free bigravity theory. This coherent field can be interpreted as a condensate of the massive gravitons. We first define the effective energy-momentum tensor of the coherent massive gravitons in a curved spacetime. We then study the background dynamics of the Universe and the cosmic structure formation including the effects of the coherent massive gravitons. We find that the condensate of the massive graviton behaves as a dark matter component of the Universe. From the geometrical point of view the condensate is regarded as a spacetime anisotropy. Hence, in our scenario, dark matter is originated from the tiny deformation of the spacetime. We also discuss a production of the spacetime anisotropy and find that the extragalactic magnetic field of a primordial origin can yield a sufficient amount for dark matter.

  6. Temporal dynamics of Bose-condensed gases

    Energy Technology Data Exchange (ETDEWEB)

    Trujillo Martinez, Mauricio

    2014-03-19

    We perform a detailed quantum dynamical study of non-equilibrium trapped, interacting Bose-condensed gases. We investigate Josephson oscillations between interacting Bose-Einstein condensates confined in a finite size double-well trap and the non-trivial time evolution of a coherent state placed at the center of a two dimensional optical lattice. For the Josephson oscillations three time scales appear. We find that Josephson junction can sustain multiple undamped oscillations up to a characteristic time scale τ{sub c} without exciting atoms out of the condensates. Beyond the characteristic time scale τ{sub c} the dynamics of the junction are governed by fast, non-condensed particles assisted Josephson tunnelling as well as the collisions between non-condensed particles. In the non-condensed particles dominated regime we observe strong damping of the oscillations due to inelastic collisions, equilibrating the system leading to an effective loss of details of the initial conditions. In addition, we predict that an initially self-trapped BEC state will be destroyed by these fast dynamics. The time evolution of a coherent state released at the center of a two dimensional optical lattice shows a ballistic expansion with a decreasing expansion velocity for increasing two-body interactions strength and particle number. Additionally, we predict that if the two-body interactions strength exceeds a certain value, a forerunner splits up from the expanding coherent state. We also observe that this system, which is prepared far from equilibrium, can evolve to a quasistationary non-equilibrium state.

  7. Composition of gases vented from a condenser

    Energy Technology Data Exchange (ETDEWEB)

    Lyon, R.N.

    1980-08-01

    Designers of systems that involve condensers often need to predict the amount of process vapor that accompanies the noncondensable gases that are vented from the condensers. An approximation is given that appears to provide, in many cases, reasonably accurate values for the mole ratio of process vapor to noncondensable gases in the vented mixture. The approximation is particularly applicable to flash and direct-contact power systems for geothermal brines and ocean thermal energy conversion (OTEC). More regorous relationships are available for exceptional cases.

  8. Bose-condensation through resonance decay

    International Nuclear Information System (INIS)

    Ornik, U.; Pluemer, M.; Strottman, D.

    1993-04-01

    We show that a system described by an equation of state which contains a high number of degrees of freedom (resonances) can create a considerable amount of superfluid (condensed) pions through the decay of short-lived resonances, if baryon number and entropy are large and the dense matter decouples from chemical equilibrium earlier than from thermal equilibrium. The system cools down faster in the presence of a condensate, an effect that may partially compensate the enhancement of the lifetime expected in the case of quark-gluon-plasma formation. (orig.). 3 figs

  9. Tunneling problems between Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Watabe, Shohei; Kato, Yusuke

    2009-01-01

    We investigate transmission and reflection of Bose-Einstein condensate excitations in the low-energy limit across a potential barrier separating two condensates with different densities. Bogoliubov excitation in the low-energy limit has an incident angle where perfect transmission occurs. This condition corresponds to the Brewster's law for the electromagnetic wave. There also exists the total internal reflection of the Bogoliubov excitation in the low-energy limit. In the case of the normal incidence, our result in the low-energy limit is consistent with a result for weakly interacting one-dimensional Bose gases treated as Tomonaga-Luttinger liquids.

  10. Tunneling problems between Bose-Einstein condensates

    Energy Technology Data Exchange (ETDEWEB)

    Watabe, Shohei [Department of Physics, University of Tokyo, Tokyo, Tokyo, 113-0033 (Japan); Kato, Yusuke [Department of Basic Science, University of Tokyo, Tokyo, 153-8902 (Japan)], E-mail: watabe@vortex.c.u-tokyo.ac.jp

    2009-02-01

    We investigate transmission and reflection of Bose-Einstein condensate excitations in the low-energy limit across a potential barrier separating two condensates with different densities. Bogoliubov excitation in the low-energy limit has an incident angle where perfect transmission occurs. This condition corresponds to the Brewster's law for the electromagnetic wave. There also exists the total internal reflection of the Bogoliubov excitation in the low-energy limit. In the case of the normal incidence, our result in the low-energy limit is consistent with a result for weakly interacting one-dimensional Bose gases treated as Tomonaga-Luttinger liquids.

  11. Turbulent meson condensation in quark deconfinement

    Directory of Open Access Journals (Sweden)

    Koji Hashimoto

    2015-06-01

    Full Text Available In a QCD-like strongly coupled gauge theory at large Nc, using the AdS/CFT correspondence, we find that heavy quark deconfinement is accompanied by a coherent condensation of higher meson resonances. This is revealed in non-equilibrium deconfinement transitions triggered by static, as well as quenched electric fields even below the Schwinger limit. There, we observe a “turbulent” energy flow to higher meson modes, which finally results in the quark deconfinement. Our observation is consistent with seeing deconfinement as a condensation of long QCD strings.

  12. Colored condensates deep inside neutron stars

    Directory of Open Access Journals (Sweden)

    Blaschke David

    2014-01-01

    Full Text Available It is demonstrated how in the absence of solutions for QCD under conditions deep inside compact stars an equation of state can be obtained within a model that is built on the basic symmetries of the QCD Lagrangian, in particular chiral symmetry and color symmetry. While in the vacuum the chiral symmetry is spontaneously broken, it gets restored at high densities. Color symmetry, however, gets broken simultaneously by the formation of colorful diquark condensates. It is shown that a strong diquark condensate in cold dense quark matter is essential for supporting the possibility that such states could exist in the recently observed pulsars with masses of 2 Mʘ.

  13. Pollen grains are efficient cloud condensation nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Pope, F D, E-mail: fdp21@cam.ac.uk [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2010-10-15

    This letter presents a laboratory study investigating the ability of pollen grains to act as cloud condensation nuclei. The hygroscopicity of pollen is measured under subsaturated relative humidities using an electrodynamic balance. It is found, along with other results, that pollen exhibits bulk uptake of water under subsaturated conditions. Through the use of an environmental scanning electron microscope it was observed that the surface of pollen is wettable at high subsaturated humidities. The hygroscopic response of the pollen to subsaturated relative humidities is parametrized using {kappa}-Koehler theory and values of the parameter {kappa} for pollen are between 0.05 and 0.1. It is found that while pollen grains are only moderately hygroscopic, they can activate at critical supersaturations of 0.001% and lower, and thus pollen grains will readily act as cloud condensation nuclei. While the number density of pollen grains is too low for them to represent a significant global source of cloud condensation nuclei, the large sizes of pollen grains suggest that they will be an important source of giant cloud condensation nuclei. Low temperature work using the environmental scanning electron microscope indicated that pollen grains do not act as deposition ice nuclei at temperatures warmer than - 15 deg. C.

  14. The quark condensate in a nuclear environment

    Energy Technology Data Exchange (ETDEWEB)

    Weise, W. [Regensburg Univ. (Germany). Inst. of Theoretical Physics

    1995-12-31

    A summary and survey on the change of the chiral condensate in dense (and hot) matter is presented. Implications for nuclear physics and relativistic heavy ion collisions are discussed, such as the strong Dirac scalar mean field that results from the density dependence of , and possible consequences for decreasing hadron masses in matter. (author). 22 refs., 4 figs.

  15. Condensation energy of the superconducting bilayer cuprates

    Indian Academy of Sciences (India)

    May & June 2002 physics pp. 861–866. Condensation energy of the superconducting bilayer cuprates. GOVIND1, AJAY2 and S K JOSHI1,3,∗. 1Theory Group, National Physical Laboratory, Dr. K.S. ... 2Department of Physics, G.B. Pant University of Agriculture and Technology, ..... [1] B Batlogg, Physics Today 44, 45 (1991).

  16. Cloud condensation nuclei from biomass burning

    International Nuclear Information System (INIS)

    Rogers, C.F.; Hudson, J.G.; Zielinska, B.; Tanner, R.L.; Hallett, J.; Watson, J.G.

    1991-01-01

    In this work, the authors have analyzed biomass and crude oil smoke samples for ionic and organic species. The cloud condensation nuclei activities of the smoke particles are discussed in terms of the measured chemical compositions of the smoke samples. The implications of biomass burning to global climatic change are discussed

  17. Free convective condensation in a vertical enclosure

    Energy Technology Data Exchange (ETDEWEB)

    Fox, R.J.; Peterson, P.F. [Univ. of California, Berkeley, CA (United States); Corradini, M.L.; Pernsteiner, A.P. [Univ. of Wisconsin, Madison, WI (United States)

    1995-09-01

    Free convective condensation in a vertical enclosure was studied numerically and the results were compared with experiments. In both the numerical and experimental investigations, mist formation was observed to occur near the cooling wall, with significant droplet concentrations in the bulk. Large recirculation cells near the end of the condensing section were generated as the heavy noncondensing gas collecting near the cooling wall was accelerated downward. Near the top of the enclosure the recirculation cells became weaker and smaller than those below, ultimately disappearing near the top of the condenser. In the experiment the mist density was seen to be highest near the wall and at the bottom of the condensing section, whereas the numerical model predicted a much more uniform distribution. The model used to describe the formation of mist was based on a Modified Critical Saturation Model (MCSM), which allows mist to be generated once the vapor pressure exceeds a critical value. Equilibrium, nonequilibrium, and MCSM calculations were preformed, showing the experimental results to lie somewhere in between the equilibrium and nonequilibrium predictions of the numerical model. A single adjustable constant (indicating the degree to which equilibrium is achieved) is used in the model in order to match the experimental results.

  18. Mathematical modelling of dropwise condensation on textured ...

    Indian Academy of Sciences (India)

    Abstract. Vapor-to-liquid phase change in the form of discrete drops on or under- neath a substrate is called dropwise condensation. The process is hierarchical in the sense that it occurs over a wide range of length and timescales. As the associated heat transfer coefficient is much higher than the film and mixed mode of ...

  19. Fractional condensation of biomass pyrolysis vapors

    NARCIS (Netherlands)

    Westerhof, Roel Johannes Maria; Brilman, Derk Willem Frederik; Garcia Perez, M.; Wang, Zhouhong; Oudenhoven, Stijn; van Swaaij, Willibrordus Petrus Maria; Kersten, Sascha R.A.

    2011-01-01

    In this paper, we have investigated the possibilities to steer the composition and, thus, the quality of pyrolysis liquids by the reactor temperature and the pyrolysis vapor condenser temperature. Pine wood was pyrolyzed in a 1 kg/h fluidized-bed pyrolysis reactor operated at 330 or 480 °C. The

  20. Production of clean gasoline from the condensate

    Directory of Open Access Journals (Sweden)

    Noureddin Bentahar

    2013-12-01

    Full Text Available The locally available Algerian bentonite is explored to prepare catalysts for the isomerization of the light fractions of Algerian condensate to produce high quality gasoline of high octane number. Satisfying results are obtained which render these catalysts applicable for a large scale production.

  1. Scalar Condensation of Holographic Superconductors using ...

    Indian Academy of Sciences (India)

    2016-01-27

    Landau action with the -quartic term |Ψ|4. Our results show that -term plays a role in the scalar condensation. It is found that the system displays two kinds of critical temperatures. One is independent of . But the other increases ...

  2. Thermal condensation mode in a dusty plasma

    Indian Academy of Sciences (India)

    Abstract. In the present work, the radiative condensation instability is investigated in the presence of dust charge fluctuations. We find that the charge variability of the grain reduces the growth rate of radiative mode only for fluctuation wavelength smaller or of the order of the Debye length and this reduction is not very large.

  3. optimal evaporating and condensing temperatures of organic

    African Journals Online (AJOL)

    user

    36, No. 1, January, 2017 111. The heat input to the ORCplants is dependent on a wide range of heat sources ‒ namely waste heat from the condenser of a conventional or a nuclear power plant, waste heat from industrial processes, solar radiation, and geothermal energy. The solar power plant has a well-.

  4. Factorised steady states and condensation transitions in ...

    Indian Academy of Sciences (India)

    I will then consider a more general class of mass trans- port models, encompassing continuous mass variables and discrete time updating, and present a necessary and sufficient condition for the steady state to factorise. The prop- erty of factorisation again allows an analysis of the condensation transitions which may occur.

  5. CONVECTION IN CONDENSIBLE-RICH ATMOSPHERES

    Energy Technology Data Exchange (ETDEWEB)

    Ding, F. [Department of the Geophysical Sciences, University of Chicago, Chicago, IL 60637 (United States); Pierrehumbert, R. T., E-mail: fding@uchicago.edu [Department of Physics, University of Oxford, Oxford OX1 3PU (United Kingdom)

    2016-05-01

    Condensible substances are nearly ubiquitous in planetary atmospheres. For the most familiar case—water vapor in Earth’s present climate—the condensible gas is dilute, in the sense that its concentration is everywhere small relative to the noncondensible background gases. A wide variety of important planetary climate problems involve nondilute condensible substances. These include planets near or undergoing a water vapor runaway and planets near the outer edge of the conventional habitable zone, for which CO{sub 2} is the condensible. Standard representations of convection in climate models rely on several approximations appropriate only to the dilute limit, while nondilute convection differs in fundamental ways from dilute convection. In this paper, a simple parameterization of convection valid in the nondilute as well as dilute limits is derived and used to discuss the basic character of nondilute convection. The energy conservation properties of the scheme are discussed in detail and are verified in radiative-convective simulations. As a further illustration of the behavior of the scheme, results for a runaway greenhouse atmosphere for both steady instellation and seasonally varying instellation corresponding to a highly eccentric orbit are presented. The latter case illustrates that the high thermal inertia associated with latent heat in nondilute atmospheres can damp out the effects of even extreme seasonal forcing.

  6. Tunneling of trapped-atom Bose condensates

    Indian Academy of Sciences (India)

    Abstract. We obtain the dynamics in number and phase difference, for Bose condensates that tun- nel between two wells of a double-well atomic trap, using the (nonlinear) Gross–Pitaevskii equation. The dynamical equations are of the canonical form for the two conjugate variables, and the Hamil- tonian corresponds to that ...

  7. Condensate formation in a Bose gas

    NARCIS (Netherlands)

    Stoof, H.T.C.

    1995-01-01

    Using magnetically trapped atomic hydrogen as an example, we investigate the prospects of achieving Bose-Einstein condensation in a dilute Bose gas. We show that, if gas is quenched sufficiently far into the critical region of the phase transition, the typical time scale for the nucleation of the

  8. A transport-based condensed history algorithm

    International Nuclear Information System (INIS)

    Tolar, D. R. Jr.

    1999-01-01

    Condensed history algorithms are approximate electron transport Monte Carlo methods in which the cumulative effects of multiple collisions are modeled in a single step of (user-specified) path length s 0 . This path length is the distance each Monte Carlo electron travels between collisions. Current condensed history techniques utilize a splitting routine over the range 0 le s le s 0 . For example, the PEnELOPE method splits each step into two substeps; one with length ξs 0 and one with length (1 minusξ)s 0 , where ξ is a random number from 0 0 is fixed (not sampled from an exponential distribution), conventional condensed history schemes are not transport processes. Here the authors describe a new condensed history algorithm that is a transport process. The method simulates a transport equation that approximates the exact Boltzmann equation. The new transport equation has a larger mean free path than, and preserves two angular moments of, the Boltzmann equation. Thus, the new process is solved more efficiently by Monte Carlo, and it conserves both particles and scattering power

  9. ISOSPIN BREAKING AND THE CHIRAL CONDENSATE.

    Energy Technology Data Exchange (ETDEWEB)

    CREUTZ, M.

    2005-07-25

    With two degenerate quarks, the chiral condensate exhibits a jump as the quark masses pass through zero. I discuss how this single transition splits into two Ising like transitions when the quarks are made non-degenerate. The order parameter is the expectation of the neutral pion field. The transitions represent long distance coherent phenomena occurring without the Dirac operator having vanishingly small eigenvalues.

  10. Orientifold Planar Equivalence: The Chiral Condensate

    DEFF Research Database (Denmark)

    Armoni, Adi; Lucini, Biagio; Patella, Agostino

    2008-01-01

    ) representation and $N_f$ flavours of Majorana fermions in the adjoint representation have the same large $N$ value for any value of the mass of the (degenerate) fermions. Assuming the invariance of the theory under charge conjugation, we prove this statement on the lattice for staggered quenched condensates...

  11. PECVD silicon nitride diaphragms for condenser microphones

    NARCIS (Netherlands)

    Scheeper, P.R.; Scheeper, P.R.; Voorthuyzen, J.A.; Voorthuyzen, J.A.; Bergveld, Piet

    1991-01-01

    The application of plasma-enhanced chemical vapour deposited (PECVD) silicon nitride as a diaphragm material for condenser microphones has been investigated. By means of adjusting the SiH4/NH3 gas-flow composition, silicon-rich silicon nitride films have been obtained with a relatively low tensile

  12. Connections between quantum chromodynamics and condensed ...

    Indian Academy of Sciences (India)

    Recently some of the analyses that originated in condensed matter physics have found applications in QCD. Using examples we discuss some of the connections between the two fields and show how progress can be made by exploiting this connection. Some of the challenges that remain in the two fields are quite similar.

  13. Tachyon condensation and black hole entropy.

    Science.gov (United States)

    Dabholkar, Atish

    2002-03-04

    String propagation on a cone with deficit angle 2pi(1-1 / N) is considered for the purpose of computing the entropy of a large mass black hole. The entropy computed using the recent results on condensation of twisted-sector tachyons in this theory is found to be in precise agreement with the Bekenstein-Hawking entropy.

  14. Tunneling of trapped-atom Bose condensates

    Indian Academy of Sciences (India)

    We obtain the dynamics in number and phase difference, for Bose condensates that tunnel between two wells of a double-well atomic trap, using the (nonlinear) Gross–Pitaevskii equation. The dynamical equations are of the canonical form for the two conjugate variables, and the Hamiltonian corresponds to that of a ...

  15. Condensation in a two-phase pool

    International Nuclear Information System (INIS)

    Duffey, R.B.; Hughes, E.D.

    1991-01-01

    We consider the case of vapor condensation in a liquid pool, when the heat transfer is controlled by heat losses through the walls. The analysis is based on drift flux theory for phase separation in the pool, and determines the two-phase mixture height for the pool. To our knowledge this is the first analytical treatment of this classic problem that gives an explicit result, previous work having established the result for the evaporative case. From conservation of mass and energy in a one-dimensional steady flow, together with a void relation between the liquid and vapor fluxes, we determine the increase in the mixture level from the base level of the pool. It can be seen that the thermal and hydrodynamic influences are separable. Thus, the thermal influence of the wall heat transfer appears through its effect on the condensing length L*, so that at high condensation rates the pool is all liquid, and at low rates overflows (the level swell or foaming effect). Similarly, the phase separation effect hydrodynamically determines the height via the relative velocity of the mixture to the entering flux. We examine some practical applications of this result to level swell in condensing flows, and also examine some limits in ideal cases

  16. Vast Antimatter Regions and Scalar Condensate Baryogenesis

    OpenAIRE

    Kirilova, D P; Panayotova, M P; Valchanov, T

    2002-01-01

    The possibility of natural and abundant creation of antimatter in the Universe in a SUSY-baryogenesis model with a scalar field condensate is described. This scenario predicts vast quantities of antimatter, corresponding to galaxy and galaxy cluster scales today, separated from the matter ones by baryonically empty voids. Theoretical and observational constraints on such antimatter regions are discussed.

  17. Activity, purification, and analysis of condensed tannins

    Science.gov (United States)

    As a class of plant polyphenolic compounds contained in some forages (i.e., sanfoin, big trefoil, birdfoot trefoil), condensed tannins (CTs), also referred to as proanthocyanidins (PAs), exhibit a variety of biological effects on ruminants and on the dairy farm nitrogen cycle. Interest in CTs stems ...

  18. Condensed matter studies by nuclear methods

    International Nuclear Information System (INIS)

    Krolas, K.; Tomala, K.

    1988-01-01

    The separate abstract was prepared for 1 of the papers in this volume. The remaining 13 papers dealing with the use but not with advances in the use of nuclear methods in studies of condensed matter, were considered outside the subject scope of INIS. (M.F.W.)

  19. Fundamentals of neutron scattering by condensed matter

    Energy Technology Data Exchange (ETDEWEB)

    Scherm, R. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1996-12-31

    The purpose of this introductory lecture is to give the basic facts about the scattering of neutrons by condensed matter. This lecture is restricted to nuclear scattering, whereas magnetic scattering will be dealt with in an other course. Most of the formalism, however, can also be easily extended to magnetic scattering. (author) 17 figs., 3 tabs., 10 refs.

  20. A simple analytic solution for Tachyon condensation

    Czech Academy of Sciences Publication Activity Database

    Erler, T.; Schnabl, Martin

    -, č. 10 (2009), 066/1-066/35 ISSN 1126-6708 Grant - others:EUROHORC and ESF(XE) EYI/07/E010 Institutional research plan: CEZ:AV0Z10100502 Keywords : string field theory * Tachyon condensation Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 6.019, year: 2009 http://arxiv.org/abs/0906.0979

  1. Spermine Condenses DNA, but Not RNA Duplexes

    Energy Technology Data Exchange (ETDEWEB)

    Katz, Andrea M.; Tolokh, Igor S.; Pabit, Suzette A.; Baker, Nathan; Onufriev, Alexey V.; Pollack, Lois

    2017-01-01

    Interactions between the polyamine spermine and nucleic acids drive important cellular processes. Spermine condenses DNA, and some RNAs such as poly(rA):poly(rU). A large fraction of the spermine present in cells is bound to RNA, but apparently does not condense it. Here, we study the effect of spermine binding to short duplex RNA and DNA and compare our findings with predictions of molecular dynamics simulations. When small numbers of spermine are introduced, RNA with a designed sequence, containing a mixture of 14 GC pairs and 11 AU pairs, resists condensation relative to DNA of an equivalent sequence or to 25 base pair poly(rA):poly(rU) RNA. Comparison of wide-angle x-ray scattering profiles with simulation suggests that spermine is sequestered deep within the major groove of mixed sequence RNA, preventing condensation by limiting opportunities to bridge to other molecules as well as stabilizing the RNA by locking it into a particular conformation. In contrast, for DNA, simulations suggest that spermine binds external to the duplex, offering opportunities for intermolecular interaction. The goal of this study is to explain how RNA can remain soluble, and available for interaction with other molecules in the cell, despite the presence of spermine at concentrations high enough to precipitate DNA.

  2. Condensation enhancement by means of electrohydrodynamic techniques

    Directory of Open Access Journals (Sweden)

    Butrymowicz Dariusz

    2014-12-01

    Full Text Available Short state-of-the-art on the enhancement of condensation heat transfer techniques by means of condensate drainage is presented in this paper. The electrohydrodynamic (EHD technique is suitable for dielectric media used in refrigeration, organic Rankine cycles and heat pump devices. The electric field is commonly generated in the case of horizontal tubes by means of a rod-type electrode or mesh electrodes. Authors proposed two geometries in the presented own experimental investigations. The first one was an electrode placed just beneath the tube bottom and the second one consisted of a horizontal finned tube with a double electrode placed beneath the tube. The experimental investigations of these two configurations for condensation of refrigerant R-123 have been accomplished. The obtained results confirmed that the application of the EHD technique for the investigated tube and electrode arrangement caused significant increase in heat transfer coefficient. The condensation enhancement depends both on the geometry of the electrode system and on the applied voltage.

  3. Counterion condensation and release in micellar solutions

    Science.gov (United States)

    Hsiao, Chin Chieh; Wang, Tzu-Yu; Tsao, Heng-Kwong

    2005-04-01

    Counterion condensation and release in micellar solutions are investigated by direct measurement of counterion concentration with ion-selective electrode. Monte Carlo simulations based on the cell model are also performed to analyze the experimental results. The degree of counterion condensation is indicated by the concentration ratio of counterions in the bulk to the total ionic surfactant added, α⩽1. The ionic surfactant is completely dissociated below the critical micelle concentration (cmc). However, as cmc is exceeded, the free counterion ratio α declines with increasing the surfactant concentration and approaches an asymptotic value owing to counterion condensation to the surface of the highly charged micelles. Micelle formation leads to much stronger electrostatic attraction between the counterion and the highly charged sphere in comparison to the attraction of single surfactant ion with its counterion. A simple model is developed to obtain the true degree of ionization, which agrees with our Monte Carlo results. Upon addition of neutral polymer or monovalent salts, some of the surfactant counterions are released to the bulk. The former is due to the decrease of the intrinsic charge (smaller aggregation number) and the degree of ionization is increased. The latter is attributed to competitive counterion condensation, which follows the Hefmeister series. This consequence indicates that the specific ion effect plays an important role next to the electrostatic attraction.

  4. Condensed tannins. Structure of the "phenolic scids"

    Science.gov (United States)

    Peter E. Laks; Richard W. Hemingway

    1987-01-01

    Conifer bark-derived condensed tannins can be used in formulating adhesives. Under some extraction conditions and during normal adhesive formulation, the tannin is exposed to strongly alkaline conditions. Alkaline rearrangement results in partial or total rearrangement of tannins of the procyanidin class to "phenolic acids" which have less phloroglucinol...

  5. Scalar Condensation of Holographic Superconductors using ...

    Indian Academy of Sciences (India)

    Abstract. We study holographic superconductors analytically by using the Ginzburg–Landau action with the γ-quartic term | |4. Our results show that γ-term plays a role in the scalar condensation. It is found that the system displays two kinds of critical temperatures. One is independent of γ. But the other increases with ...

  6. Syntheses of strychnine, norfluorocurarine, dehydrodesacetylretuline, and valparicine enabled by intramolecular cycloadditions of Zincke aldehydes.

    Science.gov (United States)

    Martin, David B C; Nguyen, Lucas Q; Vanderwal, Christopher D

    2012-01-06

    A full account of the development of the base-mediated intramolecular Diels-Alder cycloadditions of tryptamine-derived Zincke aldehydes is described. This important complexity-generating transformation provides the tetracyclic core of many indole monoterpene alkaloids in only three steps from commercially available starting materials and played a key role in short syntheses of norfluorocurarine (five steps), dehydrodesacetylretuline (six steps), valparicine (seven steps), and strychnine (six steps). Reasonable mechanistic possibilities for this reaction, a surprisingly facile dimerization of the products, and an unexpected cycloreversion to regenerate Zincke aldehydes under specific conditions are also discussed.

  7. Deuterium isotope effect on the intramolecular electron transfer in Pseudomonas aeruginosa azurin

    DEFF Research Database (Denmark)

    Farver, O.; Zhang, Jingdong; Chi, Qijin

    2001-01-01

    rather than negative. Isotope effects are, however, also inherent in the nuclear reorganization Gibbs free energy and in the tunneling factor for the electron transfer process. A slightly larger thermal protein expansion in H2O than in D2O (0.001 nm K-1) is sufficient both to account for the activation......Intramolecular electron transfer in azurin in water and deuterium oxide has been studied over a broad temperature range. The kinetic deuterium isotope effect, k(H)/k(D), is smaller than unity (0.7 at 298 K), primarily caused by the different activation entropies in water (-56.5 J K-1 mol(-1...

  8. A concise, efficient synthesis of sugar-based benzothiazoles through chemoselective intramolecular C-S coupling

    KAUST Repository

    Shen, Chao

    2012-01-01

    Sugar-based benzothiazoles are a new class of molecules promising for many biological applications. Here, we have synthesized a wide range of sugar-based benzothiazoles from readily accessible glycosyl thioureas by chemoselective, palladium-catalyzed C-S coupling reactions. Corroborated by theoretical calculations, a mechanistic investigation indicates that the coordination to the palladium by a pivaloyl carbonyl group and the presence of intramolecular hydrogen bonding play important roles in the efficiency and chemoselectivity of reaction. These fluorescent glycoconjugates can be observed to readily enter mammalian tumor cells and exhibit potential in vitro antitumor activity. This journal is © The Royal Society of Chemistry 2012.

  9. Path-integral calculation of the second virial coefficient including intramolecular flexibility effects

    Energy Technology Data Exchange (ETDEWEB)

    Garberoglio, Giovanni, E-mail: garberoglio@fbk.eu [Interdisciplinary Laboratory for Computational Science (LISC), FBK-CMM and University of Trento, via Sommarive 18, I-38123 Povo (Italy); Jankowski, Piotr [Department of Quantum Chemistry, Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, PL-87-100 Toruń (Poland); Szalewicz, Krzysztof [Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716 (United States); Harvey, Allan H. [Applied Chemicals and Materials Division, National Institute of Standards and Technology, 325 Broadway, Boulder, Colorado 80305-3337 (United States)

    2014-07-28

    We present a path-integral Monte Carlo procedure for the fully quantum calculation of the second molecular virial coefficient accounting for intramolecular flexibility. This method is applied to molecular hydrogen (H{sub 2}) and deuterium (D{sub 2}) in the temperature range 15–2000 K, showing that the effect of molecular flexibility is not negligible. Our results are in good agreement with experimental data, as well as with virials given by recent empirical equations of state, although some discrepancies are observed for H{sub 2} between 100 and 200 K.

  10. Dynamics of excited-state intramolecular proton transfer reactions in piroxicam. Role of triplet states

    Science.gov (United States)

    Cho, Dae Won; Kim, Yong Hee; Yoon, Minjoong; Jeoung, Sae Chae; Kim, Dongho

    1994-08-01

    The picosecond time-resolved fluorescence and transient absorption behavior of piroxicam at room temperature are reported. The keto tautomer in the excited singlet state ( 1K*) formed via the fast intramolecular proton transfer (≈ 20 ps) is observed. The short-lived (7.5 ns) triplet state of keto tauomer ( 3K*) is generated from 1K * in toluene whereas it is hardly observed in ethanol. Consequently, rapid reverse proton transfer takes place from 3K * to the enol triplet state ( 3E *.

  11. The Preparation and Intramolecular Radical Cyclisation Reactions of Chiral Oxime Ethers

    Directory of Open Access Journals (Sweden)

    Booth Susan E.

    1998-01-01

    Full Text Available Chiral oxime ether 2 and Oxime ester 4 have been prepared by alkylation and esterification of the oxime 1. Racemic hydroxylamine 6 and chiral hydroxylamine 10 have been synthesised from N-hydroxysuccinimide and the corresponding alcohol in the presence of diethylazodicarboxylate, the two products were converted into the oxime ethers 7 and 11 respectively. The intramolecular radical cyclisation reactions of these oxime ethers and esters has been studied, successful reaction was observed to produce alkyl hydroxylamines 3, 8 and 12.

  12. Some Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen Bonding

    Directory of Open Access Journals (Sweden)

    Lucjan Sobczyk

    2016-12-01

    Full Text Available A review of selected literature data related to intramolecular hydrogen bonding in ortho-hydroxyaryl Schiff bases, ortho-hydroxyaryl ketones, ortho-hydroxyaryl amides, proton sponges and ortho-hydroxyaryl Mannich bases is presented. The paper reports on the application of experimental spectroscopic measurements (IR and NMR and quantum-mechanical calculations for investigations of the proton transfer processes, the potential energy curves, tautomeric equilibrium, aromaticity etc. Finally, the equilibrium between the intra- and inter-molecular hydrogen bonds in amides is discussed.

  13. Use of ionic model for analysis of intramolecular movement in alkali metal metaborate molecules

    International Nuclear Information System (INIS)

    Ezhov, Yu.S.; Vinogradov, V.S.

    1978-01-01

    To clear out the peculiarities of intramolecular movement in MBO 2 (where M=Li, Na, K, Rb, Cs) molecules the energy dependence of cation electrostatic interaction with BO 2 anion on the charge value of oxygen, values of the MOB valence angle and internuclear distance r(M-O) is calculated. The calculation results on the base of ionic model show that the minimum of potential energy function corresponds to angular configuration of the MBO 2 molecules. Parameters of potential function of deformation oscillation connected with the change of MOB angle, are evaluated

  14. Samarium(II) iodide-mediated intramolecular conjugate additions of alpha,beta-unsaturated lactones.

    Science.gov (United States)

    Molander, Gary A; St Jean, David J

    2002-05-31

    Samarium(II) iodide, in the presence of catalytic amounts of nickel(II) iodide, has been used to promote intramolecular conjugate additions of alkyl halides onto alpha,beta-unsaturated lactones. This process has been shown to be applicable to a number of alpha,beta-unsaturated lactones, including tetrasubstituted olefins, and has been demonstrated to be quite general for the formation of saturated bicyclic and tricyclic lactones. The method presented herein provides a mild, efficient process to form structurally complex lactones from simple precursors.

  15. Intramolecular hydrogen bond in molecular and proton-transfer forms of Schiff bases

    Energy Technology Data Exchange (ETDEWEB)

    Filarowski, A.; Koll, A.; Karpfen, A.; Wolschann, P

    2004-02-16

    The force field and structural parameters modifications upon the formation of intramolecular hydrogen bond and proton transfer reaction in N-methyl-2-hydroxybenzylidene amine (HBZA) are determined on the basis of ab initio and DFT calculations. Reliability of the calculations is verified by comparing of the theoretical vibrational spectra with those experimentally determined in the gas phase. A model of resonance interactions is applied and the quantitative contribution of ortho-quinoid structure in the particular conformers is estimated. A comparison is also made to the systems without {pi}-electron coupling (Mannich bases)

  16. Cooperative Metal–Ligand Catalyzed Intramolecular Hydroamination and Hydroalkoxylation of Allenes Using a Stable Iron Catalyst

    KAUST Repository

    El-Sepelgy, Osama

    2018-01-18

    A new iron-catalyzed chemoselective intramolecular hydroamination and hydroalkoxylation of the readily available α-allenic amines and alcohols to valuable unsaturated 5-membered heterocycles, 2,3-dihydropyrrole and 2,3-dihydrofuran, is reported. Effective selectivity control is achieved by a metal–ligand cooperative activation of the substrates. The mild reaction conditions and the use of low amounts of an air and moisture stable iron catalyst allow for the hydrofunctionalization of a wide range of allenes bearing different functional groups in good yields in the absence of base or any sensitive additives.

  17. Pulse radiolytic and electrochemical investigations of intramolecular electron transfer in carotenoporphyrins and carotenoporphyrin-quinone triads

    International Nuclear Information System (INIS)

    Land, E.J.; Lexa, D.; Bensasson, R.V.; Gust, D.; Moore, T.A.; Moore, A.L.; Liddell, P.A.; Nemeth, G.A.

    1987-01-01

    Thermodynamic and kinetic aspects of intramolecular electron-transfer reactions in carotenoporphyrin dyads and carotenoid-porphyrin-quinone triads have been studied by using pulse radiolysis and cyclic voltammetry. Rapid (<1 μs) electron transfer from carotenoid radical anions to attached porphyrins has been inferred. Carotenoid cations, on the other hand, do not readily accept electrons from attached porphyrins or pyropheophorbides. Electrochemical studies provide the thermodynamic basis for these observations and also allow estimation of the energetics of photoinitiated two-step electron transfer and two-step charge recombination in triad models for photosynthetic charge separation

  18. Homogeneous cosmologies as group field theory condensates

    Energy Technology Data Exchange (ETDEWEB)

    Gielen, Steffen [Perimeter Institute for Theoretical Physics,31 Caroline St. N., Waterloo, Ontario N2L 2Y5 (Canada); Oriti, Daniele; Sindoni, Lorenzo [Max Planck Institute for Gravitational Physics (Albert Einstein Institute),Am Mühlenberg 1, 14476 Golm (Germany)

    2014-06-03

    We give a general procedure, in the group field theory (GFT) formalism for quantum gravity, for constructing states that describe macroscopic, spatially homogeneous universes. These states are close to coherent (condensate) states used in the description of Bose-Einstein condensates. The condition on such states to be (approximate) solutions to the quantum equations of motion of GFT is used to extract an effective dynamics for homogeneous cosmologies directly from the underlying quantum theory. The resulting description in general gives nonlinear and nonlocal equations for the ‘condensate wavefunction’ which are analogous to the Gross-Pitaevskii equation in Bose-Einstein condensates. We show the general form of the effective equations for current quantum gravity models, as well as some concrete examples. We identify conditions under which the dynamics becomes linear, admitting an interpretation as a quantum-cosmological Wheeler-DeWitt equation, and give its semiclassical (WKB) approximation in the case of a kinetic term that includes a Laplace-Beltrami operator. For isotropic states, this approximation reproduces the classical Friedmann equation in vacuum with positive spatial curvature. We show how the formalism can be consistently extended from Riemannian signature to Lorentzian signature models, and discuss the addition of matter fields, obtaining the correct coupling of a massless scalar in the Friedmann equation from the most natural extension of the GFT action. We also outline the procedure for extending our condensate states to include cosmological perturbations. Our results form the basis of a general programme for extracting effective cosmological dynamics directly from a microscopic non-perturbative theory of quantum gravity.

  19. Gravitationally Driven Wicking for Enhanced Condensation Heat Transfer.

    Science.gov (United States)

    Preston, Daniel J; Wilke, Kyle L; Lu, Zhengmao; Cruz, Samuel S; Zhao, Yajing; Becerra, Laura L; Wang, Evelyn N

    2018-04-05

    Vapor condensation is routinely used as an effective means of transferring heat or separating fluids. Filmwise condensation is prevalent in typical industrial-scale systems, where the condensed fluid forms a thin liquid film due to the high surface energy associated with many industrial materials. Conversely, dropwise condensation, where the condensate forms discrete liquid droplets which grow, coalesce, and shed, results in an improvement in heat transfer performance of an order of magnitude compared to filmwise condensation. However, current state-of-the-art dropwise technology relies on functional hydrophobic coatings, for example, long chain fatty acids or polymers, which are often not robust and therefore undesirable in industrial conditions. In addition, low surface tension fluid condensates, such as hydrocarbons, pose a unique challenge because common hydrophobic condenser coatings used to shed water (with a surface tension of 73 mN/m) often do not repel fluids with lower surface tensions (heat transfer using gravitationally driven flow through a porous metal wick, which takes advantage of the condensate's affinity to wet the surface and also eliminates the need for condensate-phobic coatings. The condensate-filled wick has a lower thermal resistance than the fluid film observed during filmwise condensation, resulting in an improved heat transfer coefficient of up to an order of magnitude and comparable to that observed during dropwise condensation. The improved heat transfer realized by this design presents the opportunity for significant energy savings in natural gas processing, thermal management, heating and cooling, and power generation.

  20. Condensation shocks in high momentum two-phase flows in condensing injectors

    International Nuclear Information System (INIS)

    Anand, G.; Christensen, R.N.

    1993-01-01

    This study presents a phenomenological and mathematical model of condensation shocks in high momentum two-phase flows in condensing injectors. The characteristics of the shock were related to the mode of vapor bubble collapse. Using cavitation terminology, the bubble collapse can be classified as inertially controlled or thermally controlled. Inertial bubble collapse occurs rapidly whereas, a thermally controlled collapse results in a significantly longer collapse time. The interdependence between the bubble collapse mode and the momentum and pressure of the flow, was analyzed in this study. For low-temperature-high-velocity flows a steep pressure rise with complete condensation was obtained. For a high-temperature-low velocity flow with noncondensables, low pressure recovery with incomplete condensation was observed. These trends are in agreement with previous experimental observations

  1. A Test Condenser to Measure Condensate Inundation Effects in a Tube Bundle.

    Science.gov (United States)

    1981-03-01

    total weight of a steam propulsion plant by reducing the size and amount of material required. Depending upon the condenser material , initial and...water heater ( feedwater tank) (not required) 4. #4 - Condensate pumps 5 #5 - Boiler (not required) 6. #6 - Cooling tower 7. #7 - Cooling water pump...coefficient for a column of N tubes (W/m 2 -OK) - Heat transfer coefficient calculated from the hNu Nusselt equation (W/m2-°K) h I - Experimentally determined

  2. Bubbler condenser related research work. Present situation

    International Nuclear Information System (INIS)

    2001-02-01

    Intensive discussions within the OECD Support Group on 'VVER-440 Bubbler Condenser Containment Research Work' between 1991 and 1994 demonstrated the need for supplementary research work to achieve an adequate level of basic knowledge. In 1994, the European Commission (EC) asked for a specific 'VVER-440/213 Bubble Condenser Qualification Feasibility Study', which was finished early in 1996, confirming the need for additional research in this field. The Feasibility study formed the basis for the Bubble Condenser Experimental Qualification Project (BCEQ) with two separate experimental activities to be executed within the frame of the PHARE/TACIS 2.13/95 project of the European Commission. A first activity served to study the thermal-hydraulic phenomena and the associated structure dynamic interactions. This part of the project was performed at EREC, in Elektrogorsk, Russia. The design of the test facility was based on the prototypical bubbler condenser configuration for the Hungarian Paks nuclear power plant. A second activity addressed the structural integrity of certain components of the bubbler condenser steel structures under DBA-typical conditions. This part of the project was performed at VUEZ, in Levice, Slovak Republic. The design of the components of this facility was based on the structural properties of the Dukovany and/or Bohunice nuclear power plants. A third component of the BCEQ project was specified later asking for analytical studies, which should be supported by a number of small-scale separate effects tests to be performed at SVUSS, in Bechovice, Czech Republic. The main experimental and analytical results of the BCEQ test campaigns have been presented and discussed within the frame of the 4. meeting of the Technical Advisory Committee to the BCEQ (Bubble Condenser Experimental Qualification) Project in Brussels in December 1999 and on occasion of the 11. OECD Support Group Meeting in Berlin in April 2000. The discussions had evidenced several

  3. Condensation: Passenger Not Driver in Atmospheric Thermodynamics

    Directory of Open Access Journals (Sweden)

    Jack Denur

    2016-11-01

    Full Text Available The second law of thermodynamics states that processes yielding work or at least capable of yielding work are thermodynamically spontaneous, and that those costing work are thermodynamically nonspontaneous. Whether a process yields or costs heat is irrelevant. Condensation of water vapor yields work and hence is thermodynamically spontaneous only in a supersaturated atmosphere; in an unsaturated atmosphere it costs work and hence is thermodynamically nonspontaneous. Far more of Earth’s atmosphere is unsaturated than supersaturated; based on this alone evaporation is far more often work-yielding and hence thermodynamically spontaneous than condensation in Earth’s atmosphere—despite condensation always yielding heat and evaporation always costing heat. Furthermore, establishment of the unstable or at best metastable condition of supersaturation, and its maintenance in the face of condensation that would wipe it out, is always work-costing and hence thermodynamically nonspontaneous in Earth’s atmosphere or anywhere else. The work required to enable supersaturation is most usually provided at the expense of temperature differences that enable cooling to below the dew point. In the case of most interest to us, convective weather systems and storms, it is provided at the expense of vertical temperature gradients exceeding the moist adiabatic. Thus, ultimately, condensation is a work-costing and hence thermodynamically nonspontaneous process even in supersaturated regions of Earth’s or any other atmosphere. While heat engines in general can in principle extract all of the work represented by any temperature difference until it is totally neutralized to isothermality, convective weather systems and storms in particular cannot. They can extract only the work represented by partial neutralization of super-moist-adiabatic lapse rates to moist-adiabaticity. Super-moist-adiabatic lapse rates are required to enable convection of saturated air

  4. Confinement and magnetic condensation for N → infinity

    International Nuclear Information System (INIS)

    Olesen, P.

    1982-01-01

    The author discusses why magnetic condensation is necessary for confinement. Using the Makeenko-Migdal equation he then indicates that for N → infinity (in SU(N)) one has a condensate of magnetic strings in the QCD vacuum. (Auth.)

  5. Refrigeration. Heat Transfer. Part I: Evaporators and Condensers

    DEFF Research Database (Denmark)

    Knudsen, Hans-Jørgen Høgaard

    2002-01-01

    The note gives an introduction to heat transfer with phase shift. Pool Boiling, Flow Boiling, Condensation.......The note gives an introduction to heat transfer with phase shift. Pool Boiling, Flow Boiling, Condensation....

  6. Condensation of water vapor in the gravitational field

    Energy Technology Data Exchange (ETDEWEB)

    Gorshkov, V. G.; Makarieva, A. M.; Nefiodov, A. V., E-mail: anef@thd.pnpi.spb.ru [Konstantinov Petersburg Nuclear Physics Institute (Russian Federation)

    2012-10-15

    Physical peculiarities of water vapor condensation under conditions of hydrostatic equilibrium are considered. The power of stationary dynamic air fluxes and the vertical temperature distribution caused by condensation on large horizontal scales are estimated.

  7. Theoretical Investigations of Trapped Interacting Bose-Einstein Condensates

    National Research Council Canada - National Science Library

    You, Li

    1999-01-01

    .... Primary topics being addressed are: (1) To understand the properties of atomic Bose-Einstein condensates, in particular, the low energy excitations, dynamics of Bose-Einstein condensation, vortex states creation and detection. (2...

  8. NAMMA CVI CLOUD CONDENSED WATER CONTENT V1

    Data.gov (United States)

    National Aeronautics and Space Administration — In the NAMMA CVI Cloud Condensed Water Content dataset the counterflow virtual impactor (CVI) was used to measure condensed water content (liquid water or ice in...

  9. Approach to Interfacial and Intramolecular Electron Transfer of the Diheme Protein Cytochrome c(4) Assembled on Au(111) Surfaces

    DEFF Research Database (Denmark)

    Chi, Qijin; Zhang, Jingdong; Taner, Arslan

    2010-01-01

    protein Pseudomonas stutzeri cytochrome c(4) has been a target for intramolecular, interheme ET. We report here voltammetric and in situ scanning tunneling microscopy (STM) data for P. stutzeri cyt c(4) at single-crystal, atomically planar Au(111)-electrode surfaces modified by variable-length omega...... direction and a single two-ET peak in the anodic direction. Intramolecular, interheme ET with high, 8,000-30,000 s(-1), rate constants is notably an essential part of this mechanism. The high rate constants are in striking contrast to ET reactions of P. stutzeri cyt c4 with small reaction partners...... in homogeneous solution for which kinetic analysis clearly testifies to electrostatic cooperative effects but no intramolecular, interheme ET higher than 0.1-10 s(-1). This difference suggests a strong gating feature of the process. On the basis of the three-dimensional structure of P. stutzeri cyt c(4), gating...

  10. Spin-Orbit Coupled Bose-Einstein Condensates

    Science.gov (United States)

    2016-11-03

    Spin-Orbit Coupled Bose- Einstein Condensates This ARO research proposal entitled "SPIN-ORBIT COUPLED BOSE- EINSTEIN CONDENSATES" (SOBECs) explored...Administration 3112 Lee Building 7809 Regents Drive College Park, MD 20742 -5141 ABSTRACT Final Report: Spin-Orbit Coupled Bose- Einstein Condensates...Report Title This ARO research proposal entitled "SPIN-ORBIT COUPLED BOSE- EINSTEIN CONDENSATES" (SOBECs) explored properties of the fundamentally new

  11. Intramolecular Hydrogen Bonding Involving Organic Fluorine: NMR Investigations Corroborated by DFT-Based Theoretical Calculations

    Directory of Open Access Journals (Sweden)

    Sandeep Kumar Mishra

    2017-03-01

    Full Text Available The combined utility of many one and two dimensional NMR methodologies and DFT-based theoretical calculations have been exploited to detect the intramolecular hydrogen bond (HB in number of different organic fluorine-containing derivatives of molecules, viz. benzanilides, hydrazides, imides, benzamides, and diphenyloxamides. The existence of two and three centered hydrogen bonds has been convincingly established in the investigated molecules. The NMR spectral parameters, viz., coupling mediated through hydrogen bond, one-bond NH scalar couplings, physical parameter dependent variation of chemical shifts of NH protons have paved the way for understanding the presence of hydrogen bond involving organic fluorine in all the investigated molecules. The experimental NMR findings are further corroborated by DFT-based theoretical calculations including NCI, QTAIM, MD simulations and NBO analysis. The monitoring of H/D exchange with NMR spectroscopy established the effect of intramolecular HB and the influence of electronegativity of various substituents on the chemical kinetics in the number of organic building blocks. The utility of DQ-SQ technique in determining the information about HB in various fluorine substituted molecules has been convincingly established.

  12. Organometallic copper I, II or III species in an intramolecular dechlorination reaction

    KAUST Repository

    Poater, Albert

    2013-03-15

    The present paper gives insight into an intramolecular dechlorination reaction involving Copper (I) and an ArCH2Cl moiety. The discussion of the presence of a CuIII organometallic intermediate becomes a challenge, and because of the lack of clear experimental detection of this proposed intermediate, and due to the computational evidence that it is less stable than other isomeric species, it can be ruled out for the complex studied here. Our calculations are completely consistent with the key hypothesis of Karlin et al. that TMPA-CuI is the substrate of intramolecular dechlorination reactions as well as the source to generate organometallic species. However the organometallic character of some intermediates has been refused because computationally these species are less stable than other isomers. Thus this study constitutes an additional piece towards the full understanding of a class of reaction of biological relevance. Further, the lack of high energy barriers and deep energy wells along the reaction pathway explains the experimental difficulties to trap other intermediates. © Springer-Verlag Berlin Heidelberg 2013.

  13. Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals.

    Science.gov (United States)

    Cho, Daeheum; Ko, Kyoung Chul; Ikabata, Yasuhiro; Wakayama, Kazufumi; Yoshikawa, Takeshi; Nakai, Hiromi; Lee, Jin Yong

    2015-01-14

    The intramolecular magnetic coupling constant (J) of diradical systems linked with five- or six-membered aromatic rings was calculated to obtain the scaling factor (experimental J/calculated J ratio) for various density functional theory (DFT) functionals. Scaling factors of group A (PBE, TPSSh, B3LYP, B97-1, X3LYP, PBE0, and BH&HLYP) and B (M06-L, M06, M06-2X, and M06-HF) were shown to decrease as the amount of Hartree-Fock exact exchange (HFx) increases, in other words, overestimation of calculated J becomes more severe as the HFx increases. We further investigated the effect of HFx fraction of DFT functional on J value, spin contamination, and spin density distributions by comparing the B3LYP analogues containing different amount of HFx. It was revealed that spin contamination and spin densities at each atom increases as the HFx increases. Above all, newly developed BLYP-5 functional, which has 5% of HFx, was found to have the scaling factor of 1.029, indicating that calculated J values are very close to that of experimental values without scaling. BLYP-5 has potential to be utilized for accurate evaluation of intramolecular magnetic coupling constant (J) of diradicals linked by five- or six-membered aromatic ring couplers.

  14. Discovery of intramolecular signal transduction network based on a new protein dynamics model of energy dissipation.

    Directory of Open Access Journals (Sweden)

    Cheng-Wei Ma

    Full Text Available A novel approach to reveal intramolecular signal transduction network is proposed in this work. To this end, a new algorithm of network construction is developed, which is based on a new protein dynamics model of energy dissipation. A key feature of this approach is that direction information is specified after inferring protein residue-residue interaction network involved in the process of signal transduction. This enables fundamental analysis of the regulation hierarchy and identification of regulation hubs of the signaling network. A well-studied allosteric enzyme, E. coli aspartokinase III, is used as a model system to demonstrate the new method. Comparison with experimental results shows that the new approach is able to predict all the sites that have been experimentally proved to desensitize allosteric regulation of the enzyme. In addition, the signal transduction network shows a clear preference for specific structural regions, secondary structural types and residue conservation. Occurrence of super-hubs in the network indicates that allosteric regulation tends to gather residues with high connection ability to collectively facilitate the signaling process. Furthermore, a new parameter of propagation coefficient is defined to determine the propagation capability of residues within a signal transduction network. In conclusion, the new approach is useful for fundamental understanding of the process of intramolecular signal transduction and thus has significant impact on rational design of novel allosteric proteins.

  15. Dynamic intramolecular regulation of the histone chaperone nucleoplasmin controls histone binding and release.

    Science.gov (United States)

    Warren, Christopher; Matsui, Tsutomu; Karp, Jerome M; Onikubo, Takashi; Cahill, Sean; Brenowitz, Michael; Cowburn, David; Girvin, Mark; Shechter, David

    2017-12-20

    Nucleoplasmin (Npm) is a highly conserved histone chaperone responsible for the maternal storage and zygotic release of histones H2A/H2B. Npm contains a pentameric N-terminal core domain and an intrinsically disordered C-terminal tail domain. Though intrinsically disordered regions are common among histone chaperones, their roles in histone binding and chaperoning remain unclear. Using an NMR-based approach, here we demonstrate that the Xenopus laevis Npm tail domain controls the binding of histones at its largest acidic stretch (A2) via direct competition with both the C-terminal basic stretch and basic nuclear localization signal. NMR and small-angle X-ray scattering (SAXS) structural analyses allowed us to construct models of both the tail domain and the pentameric complex. Functional analyses demonstrate that these competitive intramolecular interactions negatively regulate Npm histone chaperone activity in vitro. Together these data establish a potentially generalizable mechanism of histone chaperone regulation via dynamic and specific intramolecular shielding of histone interaction sites.

  16. EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions

    Directory of Open Access Journals (Sweden)

    S. Compernolle

    2011-09-01

    Full Text Available We present EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for Temperature, Intramolecular, and Non-additivity effects, a method to predict (subcooled liquid pure compound vapour pressure p0 of organic molecules that requires only molecular structure as input. The method is applicable to zero-, mono- and polyfunctional molecules. A simple formula to describe log10p0(T is employed, that takes into account both a wide temperature dependence and the non-additivity of functional groups. In order to match the recent data on functionalised diacids an empirical modification to the method was introduced. Contributions due to carbon skeleton, functional groups, and intramolecular interaction between groups are included. Molecules typically originating from oxidation of biogenic molecules are within the scope of this method: aldehydes, ketones, alcohols, ethers, esters, nitrates, acids, peroxides, hydroperoxides, peroxy acyl nitrates and peracids. Therefore the method is especially suited to describe compounds forming secondary organic aerosol (SOA.

  17. The role of hydrogen bonding in excited state intramolecular charge transfer.

    Science.gov (United States)

    Chipem, Francis A S; Mishra, Anasuya; Krishnamoorthy, G

    2012-07-07

    Intramolecular charge transfer (ICT) that occurs upon photoexcitation of molecules is a vital process in nature and it has ample applications in chemistry and biology. The ICT process of the excited molecules is affected by several environmental factors including polarity, viscosity and hydrogen bonding. The effect of polarity and viscosity on the ICT processes is well understood. But, despite the fact that hydrogen bonding significantly influences the ICT process, the specific role of hydrogen bonding in the formation and stabilization of the ICT state is not unambiguously established. Some literature reports predicted that the hydrogen bonding of the solvent with a donor promotes the formation of a twisted intramolecular charge transfer (TICT) state. Some other reports stated that it inhibits the formation of the TICT state. Alternatively, it was proposed that the hydrogen bonding of the solvent with an acceptor favors the TICT state. It is also observed that a dynamic equilibrium is established between the free and the hydrogen bonded ICT states. This perspective focuses on the specific role played by hydrogen bonding of the solvent with the donor and the acceptor, and by proton transfer in the ICT process. The utility of such influence in molecular recognition and anion sensing is discussed with a few recent literature examples in the end.

  18. Instantaneous normal mode analysis for intermolecular and intramolecular vibrations of water from atomic point of view

    Science.gov (United States)

    Chen, Yu-Chun; Tang, Ping-Han; Wu, Ten-Ming

    2013-11-01

    By exploiting the instantaneous normal mode (INM) analysis for models of flexible molecules, we investigate intermolecular and intramolecular vibrations of water from the atomic point of view. With two flexible SPC/E models, our investigations include three aspects about their INM spectra, which are separated into the unstable, intermolecular, bending, and stretching bands. First, the O- and H-atom contributions in the four INM bands are calculated and their stable INM spectra are compared with the power spectra of the atomic velocity autocorrelation functions. The unstable and intermolecular bands of the flexible models are also compared with those of the SPC/E model of rigid molecules. Second, we formulate the inverse participation ratio (IPR) of the INMs, respectively, for the O- and H-atom and molecule. With the IPRs, the numbers of the three species participated in the INMs are estimated so that the localization characters of the INMs in each band are studied. Further, by the ratio of the IPR of the H atom to that of the O atom, we explore the number of involved OH bond per molecule participated in the INMs. Third, by classifying simulated molecules into subensembles according to the geometry of their local environments or their H-bond configurations, we examine the local-structure effects on the bending and stretching INM bands. All of our results are verified to be insensible to the definition of H-bond. Our conclusions about the intermolecular and intramolecular vibrations in water are given.

  19. Redox-Tag Processes: Intramolecular Electron Transfer and Its Broad Relationship to Redox Reactions in General.

    Science.gov (United States)

    Okada, Yohei; Chiba, Kazuhiro

    2017-12-08

    Explosive growth in the use of open shell reactivity, including neutral radicals and radical ions, in the field of synthetic organic chemistry has been observed in the past decade, particularly since the advent of ruthenium complexes in 2008. These complexes generally induce single-electron transfer (SET) processes via visible-light absorption. Additionally, recent significant advancements in organic electrochemistry involving SET processes to provide open shell reactivity offer a complementary method to traditional polarity-driven reactions described by two-electron transfer processes. In this Review, we highlight the importance of intramolecular SET processes in the field of synthetic organic chemistry, which seem to be more elusive than the intermolecular versions, since they are net redox-neutral and thus cannot simply be regarded as oxidations or reductions. Such intramolecular SET processes can rationally be understood in combination with concomitant bond formations and/or cleavages, and are regulated by a structural motif that we call a "redox tag." In order to describe modern radical-driven reactions involving SET processes, we focus on a classical formalism in which electrons are treated as particles rather than waves, which offers a practical yet powerful approach to explain and/or predict synthetic outcomes.

  20. Instantaneous normal mode analysis for intermolecular and intramolecular vibrations of water from atomic point of view.

    Science.gov (United States)

    Chen, Yu-Chun; Tang, Ping-Han; Wu, Ten-Ming

    2013-11-28

    By exploiting the instantaneous normal mode (INM) analysis for models of flexible molecules, we investigate intermolecular and intramolecular vibrations of water from the atomic point of view. With two flexible SPC/E models, our investigations include three aspects about their INM spectra, which are separated into the unstable, intermolecular, bending, and stretching bands. First, the O- and H-atom contributions in the four INM bands are calculated and their stable INM spectra are compared with the power spectra of the atomic velocity autocorrelation functions. The unstable and intermolecular bands of the flexible models are also compared with those of the SPC/E model of rigid molecules. Second, we formulate the inverse participation ratio (IPR) of the INMs, respectively, for the O- and H-atom and molecule. With the IPRs, the numbers of the three species participated in the INMs are estimated so that the localization characters of the INMs in each band are studied. Further, by the ratio of the IPR of the H atom to that of the O atom, we explore the number of involved OH bond per molecule participated in the INMs. Third, by classifying simulated molecules into subensembles according to the geometry of their local environments or their H-bond configurations, we examine the local-structure effects on the bending and stretching INM bands. All of our results are verified to be insensible to the definition of H-bond. Our conclusions about the intermolecular and intramolecular vibrations in water are given.

  1. Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

    DEFF Research Database (Denmark)

    Schrøder, Sidsel Dahl

    and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

  2. On the nature of intramolecular vibrational energy transfer in dense molecular environments

    Energy Technology Data Exchange (ETDEWEB)

    Benten, Rebekka S. von [Institut fuer Physikalische Chemie der Universitaet Goettingen, Tammannstrasse 6, D-37077 Goettingen (Germany); Abel, Bernd, E-mail: Bernd.Abel@uni-lepzig.de [Wilhelm-Ostwald-Institut fuer Physikalische und Theoretische Chemie, Universitaet Leipzig, Linne-Strasse 2, D-04103 Leipzig (Germany)

    2010-12-09

    Graphical abstract: Mechanisms of IVR in multi-tiers of intramolecular energy levels in different molecular environments are investigated. - Abstract: Transient femtosecond-IR-pump-UV-absorption probe-spectroscopy has been employed to shed light on the nature of intramolecular vibrational energy transfer (IVR) in dense molecular environments ranging from the diluted gas phase to the liquid. A general feature in our experiments and those of others is that IVR proceeds via multiple timescales if overtones or combination vibrations of high frequency modes are excited. It has been found that collisions enhance IVR if its (slower) timescales can compete with collisions. This enhancement is, however, much more weaker and rather inefficient as opposed to the effect of collisions on intermolecular energy transfer which is well known. In a series of experiments we found that IVR depends not significantly on the average energy transferred in a collision but rather on the number of collisions. The collisions are much less efficient in affecting IVR than VET. We conclude that collision induced broadening of vibrational energy levels reduces the energy gaps and enhances existing couplings between tiers. The present results are an important step forward to rationalize and understand apparently different and not consistent results from different groups on different molecular systems between gas and liquid phases.

  3. Multiwall nanotubes with intramolecular junctions (CNx/C): Preparation, rectification, logic gates, and application

    Science.gov (United States)

    Hu, Ping'an; Xiao, Kai; Liu, Yunqi; Yu, Gui; Wang, Xianbao; Fu, Lei; Cui, Guanglei; Zhu, Daoben

    2004-06-01

    We prepared a large quantity of multiwall nanotubes with intramolecular junctions (CNx/C) by pyrolysis of iron phthalocyanine with or without an inlet of ammonia gas. The nanotubes consist of two sections, one section made of carbon nitride featuring bamboo-like structure and the other one made of carbon featuring empty hollow cylinder structure, and thus the intramolecular junctions were formed in the middle as a result of being doped or undoped with nitrogen. Nanodiode based on a single CNx/C junction shows reproducible rectifying behavior with a rectification ratio of 1.3×103 at ±2 V. In addition, the nanodiode demonstrated as a half-wave rectifier worked at an input sine wave of 1 kHz. Two CNx/C junctions were configured together to exhibit functions of OR and AND logic gates. Moreover, after substituting the wave-detection silicon diode in common transistor radio set with our nanodiode, the radio set still worked normally, representing an important step toward the potential application for nano-scale devices.

  4. An excited-state intramolecular photon transfer fluorescence probe for localizable live cell imaging of cysteine

    Science.gov (United States)

    Liu, Wei; Chen, Wen; Liu, Si-Jia; Jiang, Jian-Hui

    2017-03-01

    Small molecule probes suitable for selective and specific fluorescence imaging of some important but low-concentration intracellular reactive sulfur species such as cysteine (Cys) pose a challenge in chemical biology. We present a readily available, fast-response fluorescence probe CHCQ-Ac, with 2-(5‧-chloro-2-hydroxyl-phenyl)-6-chloro-4(3 H)-quinazolinone (CHCQ) as the fluorophore and acrylate group as the functional moiety, that enables high-selectivity and high-sensitivity for detecting Cys in both solution and biological system. After specifically reacted with Cys, the probe undergoes a seven-membered intramolecular cyclization and released the fluorophore CHCQ with excited-state intramolecular photon transfer effect. A highly fluorescent, insoluble aggregate was then formed to facilitate high-sensitivity and high-resolution imaging. The results showed that probe CHCQ-Ac affords a remarkably large Stokes shift and can detect Cys under physiological pH condition with no interference from other analytes. Moreover, this probe was proved to have excellent chemical stability, low cytotoxicity and good cell permeability. Our design of this probe provides a novel potential tool to visualize and localize cysteine in bioimaging of live cells that would greatly help to explore various Cys-related physiological and pathological cellular processes in cell biology and diagnostics.

  5. Estimating the energy of intramolecular hydrogen bonds from1H NMR and QTAIM calculations.

    Science.gov (United States)

    Afonin, Andrei V; Vashchenko, Alexander V; Sigalov, Mark V

    2016-11-29

    The values of the downfield chemical shift of the bridge hydrogen atom were estimated for a series of compounds containing an intramolecular hydrogen bond O-HO, O-HN, O-HHal, N-HO, N-HN, C-HO, C-HN and C-HHal. Based on these values, the empirical estimation of the hydrogen bond energy was obtained by using known relationships. For the compounds containing an intramolecular hydrogen bond, the DFT B3LYP/6-311++G(d,p) method was used both for geometry optimization and for QTAIM calculations of the topological parameters (electron density ρ BCP and the density of potential energy V in the critical point of the hydrogen bond). The calculated geometric and topological parameters of hydrogen bonds were also used to evaluate the energy of the hydrogen bond based on the equations from the literature. Comparison of calibrating energies from the 1 H NMR data with the energies predicted by calculations showed that the most reliable are the linear dependence on the topological ρ BCP and V parameters. However, the correct prediction of the hydrogen bond energy is determined by proper fitting of the linear regression coefficients. To obtain them, new linear relationships were found between the calculated ρ BCP and V parameters and the hydrogen bond energies obtained from empirical 1 H NMR data. These relationships allow the comparison of the energies of different types of hydrogen bonds for various molecules and biological ensembles.

  6. Characteristics of Intramolecular Charge Transfer by J-Aggregates in Merocyanine Dye LB Films.

    Science.gov (United States)

    Yang, Chang Heon; Kwon, Young-Soo; Shin, Hoon-Kyu

    2016-06-01

    In this study, for the development of future molecular electronic devices, we have investigated the characteristics of the aggregates of Langmuir-Blodgett films. The characteristics of intramolecular charge transfer by J-aggregates in merocyanine dye LB films have been studied experimentally by using UV irradiation and heat treatment. In addition to intramolecular charge transfer, we also studied the conjugation and energy changes of the molecules. In case a dye is thinned by LB method, the alkyl chain is often displaced in order to form a mono-molecular film with ease. Since the molecular association form is often made by self-organization of molecules themselves, in case the dye and the alkyl chain are strongly bonded by the covalent bond, it may be said that the properties of the LB film to be built up are almost determined at the time of synthesis of film-forming molecules. Meanwhile, since, in case LB film is fabricated by the diffusion absorption method, the cohesive force between the water-soluble dye and the surface-active mono-molecular film is electrostatic, the dye molecule can move relatively freely on the air/water interface, which may be regarded as a two-dimensional crystal growth process.

  7. Intramolecular proton transfer and tunnelling reactions of hydroxyphenylbenzoxazole derivatives in Xenon at 15 K

    Energy Technology Data Exchange (ETDEWEB)

    Walla, Peter J. [Max-Planck-Institute for Biophysical Chemistry, Department 010, Spectroscopy and Photochemical Kinetics, Am Fassberg 11, D-37077 Goettingen (Germany) and Department for Biophysical Chemistry, Technical University of Brunswick, Institute for Physical and Theoretical Chemistry, Hans-Sommerstr. 10, D-38106 Braunschweig (Germany)]. E-mail: pwalla@gwdg.de; Nickel, Bernhard [Max-Planck-Institute for Biophysical Chemistry, Department 010, Spectroscopy and Photochemical Kinetics, Am Fassberg 11, D-37077 Goettingen (Germany)

    2005-06-06

    We investigated the site dependence and the tunnelling processes of the intramolecular proton and deuteron transfer in the triplet state of the compounds 2-(2'-hydroxy-4'-methylphenyl)benzoxazole (m-MeHBO) and 2-(2'-hydroxy-3'-methylphenyl)benzoxazoles (o-MeHBO) and their deuterio-oxy analogues in a solid xenon matrix. After singlet excitation there occurs an ultrafast intramolecular enol {yields} keto proton transfer and subsequent intersystem crossing mainly to the keto triplet state. In the triplet state of m-MeHBO, the proton transfer back to the lower enol triplet state is governed by tunnelling processes. In o-MeHBO, however, the enol triplet state is higher and therefore normally no tunnel reaction can be observed. Because of the external heavy atom-effect in a xenon matrix, we were able to investigate the reverse enol-keto-tunnelling after exciting directly the enol triplet state of deuterated o-MeHBO. The time constants of the reverse enol-keto tautomerization are similar to those of the normal keto-enol tautomerization. In a xenon matrix, the observed site-selective phosphorescence spectra are very well-resolved vibrationally. This allowed the study of the tunnel rates in different well-defined sites. The vibrational energies obtained in the spectra are in good agreement with vibrational energies found in resonant Raman and IR spectra of 2-(2'-hydroxyphenyl)benzoxazole (HBO)

  8. Hydroxyalkoxy radicals: importance of intramolecular hydrogen bonding on chain branching reactions in the combustion and atmospheric decomposition of hydrocarbons.

    Science.gov (United States)

    Davis, Alexander C; Francisco, Joseph S

    2014-11-20

    During both the atmospheric oxidation and combustion of volatile organic compounds, sequential addition of oxygen can lead to compounds that contain multiple hydrogen-bonding sites. The presence of two or more of these sites on a hydrocarbon introduces the possibility of intramolecular H-bonding, which can have a stabilizing effect on the reactants, products, and transition states of subsequent reactions. The present work compares the absolute energies of two sets of conformations, those that contain intramolecular H-bonds and those that lack intramolecular H-bonds, for each reactant, product, and transition state species in the 1,2 through 1,7 H-migrations and Cα-Cβ, Cα-H, and Cα-OH-bond scission reactions in the n-hydroxyeth-1-oxy through n-hydroxyhex-1-oxy radicals, for n ranging from 1 to 6. The difference in energy between the two conformations represents the balance between the stabilizing effects of H-bonds and the steric cost of bringing the two H-bonding sites together. The effect of intramolecular H-bonding and the OH group is assessed by comparing the net intramolecular H-bond stabilization energies, the reaction enthalpies, and barrier heights of the n-hydroxyalkoxy radical reactions with the corresponding alkoxy radicals values. The results suggest that there is a complex dependence on the location of the two H-bonding groups, the location of the abstraction or bond scission, and the shape of the transition state that dictates the extent to which intramolecular H-bonding effects the relative importance of H-migration and bond scission reactions for each n-hydroxyalkoxy radical. These findings have important implications for future studies on hydrocarbons with multiple H-bonding sites.

  9. Film condensation on non-isothermal vertical plates

    NARCIS (Netherlands)

    Brouwers, Jos

    1989-01-01

    An analytical study is presented of the condensation of a pure saturated vapour on a cooled channel plate, including the interaction between the cooling liquid, the condensate and the vapour. The governing equations of co-, counter- and cross-current condensation are derived, set dimensionless and

  10. 21 CFR 131.120 - Sweetened condensed milk.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 2 2010-04-01 2010-04-01 false Sweetened condensed milk. 131.120 Section 131.120... FOR HUMAN CONSUMPTION MILK AND CREAM Requirements for Specific Standardized Milk and Cream § 131.120 Sweetened condensed milk. (a) Description. Sweetened condensed milk is the food obtained by partial removal...

  11. Collapsing dynamics of attractive Bose-Einstein condensates

    DEFF Research Database (Denmark)

    Bergé, L.; Juul Rasmussen, J.

    2002-01-01

    The self-similar collapse of 3D and quasi-2D atom condensates with negative scattering length is examined. 3D condensates are shown to blow up following the scenario of weak collapse, for which 3-body recombination weakly dissipates the atoms. In contrast, 2D condensates undergo a strong collapse...

  12. CFD modelling of condensers for freeze-drying processes

    Indian Academy of Sciences (India)

    ... the condenser, in order to evaluate condenser efficiency and gain deeper insights of the process to be used for the improvement of its design. Both a complete laboratory-scale freeze-drying apparatus and an industrial-scale condenser have been investigated in this work, modelling the process of water vapour deposition.

  13. 40 CFR 63.447 - Clean condensate alternative.

    Science.gov (United States)

    2010-07-01

    ... concentrations in the pulping process water used within the clean condensate alternative affected source. (c... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Clean condensate alternative. 63.447... Standards for Hazardous Air Pollutants from the Pulp and Paper Industry § 63.447 Clean condensate...

  14. Condensate storage vessel cleaning device for nuclear power plant

    International Nuclear Information System (INIS)

    Nagase, Tatsuo; Yamamoto, Osamu

    1998-01-01

    An ordinary condensate storage vessel which is a water source of an ordinary water absorbing load and an emergency condensate storage vessel which is a water source such as of an emergency reactor core cooling facility are disposed separately and connected by a water feeding line, and there is disposed a returning line connecting a filtering desalting device of a fuel pool cleaning facility for cooling and cleaning spent fuel pool water and the emergency condensate storage vessel, a suppression pool. When condensate stored in the emergency condensate storage vessel is cleaned by the filtering desalting device of the fuel pool cleaning facility and returned to the emergency condensate storage vessel by the returning line, the condensate can be cleaned periodically. In addition, condensate after purification is optionally supplied from the ordinary condensate storage vessel to the emergency condensate storage vessel to store water. Then, the emergency condensate storage vessel can be reduced in the size, and the construction cost for the ordinary condensate storage vessel can be reduced. (N.H.)

  15. Variability in condensed tannins and bitterness in spider plant ...

    African Journals Online (AJOL)

    Total phenolic compounds and condensed tannins were quantified in five genotypes. The amount of total phenolic compounds were not significant, but quite significant (P<0.001) for condensed tannins. Genotype CGSKGP had the highest (0.49 mg g-1) and twice as much condensed tannins as CGKEX and CGSKP.

  16. Formaldehyde condensation products of model phenols for conifer bark tannins

    Science.gov (United States)

    Richard W. Hemingway; Gerald W. McGraw

    1978-01-01

    Gel permeation chromatography of the condensation products of phenols and formaldehyde proved effective in understanding the reactions of condensed tannins with formaldehyde. Rates of condensation of phloroglucinols, resorcinols, catechols, (+)catechins, and (-)epicatechin were examined to determine if methylol-tannins from southern pine bark could be prepared as resin...

  17. Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome c4

    DEFF Research Database (Denmark)

    Natzmutdinov, Renat R.; Bronshtein, Michael D.; Zinkicheva, Tamara T.

    2012-01-01

    ligands in both low- and high-spin states by structure-optimized DFT. The computations enable estimating the intramolecular reorganization energy of the ET process for different combinations of low- and high-spin heme couples. Environmental reorganization free energies, work terms (‘‘gating’’) and driving...... performed computational modeling of the intramolecular ET process by a combination of density functional theory (DFT) and quantum mechanical charge transfer theory to disclose reasons for this difference. We first address the electronic structures of the model heme core with histidine and methionine axial...

  18. Evaporation and Condensation Flows of a Vapor-Gas Mixture from or onto the Condensed Phase with an Internal Structure

    National Research Council Canada - National Science Library

    Onishi, Yoshimoto; Yamada, Ken

    2005-01-01

    Transient motions of a vapor-gas mixture due to the evaporation and condensation processes from or onto the plane condensed phase, with a temperature field as its internal structure, have been studied...

  19. Bose-Einstein condensation in microgravity.

    Science.gov (United States)

    van Zoest, T; Gaaloul, N; Singh, Y; Ahlers, H; Herr, W; Seidel, S T; Ertmer, W; Rasel, E; Eckart, M; Kajari, E; Arnold, S; Nandi, G; Schleich, W P; Walser, R; Vogel, A; Sengstock, K; Bongs, K; Lewoczko-Adamczyk, W; Schiemangk, M; Schuldt, T; Peters, A; Könemann, T; Müntinga, H; Lämmerzahl, C; Dittus, H; Steinmetz, T; Hänsch, T W; Reichel, J

    2010-06-18

    Albert Einstein's insight that it is impossible to distinguish a local experiment in a "freely falling elevator" from one in free space led to the development of the theory of general relativity. The wave nature of matter manifests itself in a striking way in Bose-Einstein condensates, where millions of atoms lose their identity and can be described by a single macroscopic wave function. We combine these two topics and report the preparation and observation of a Bose-Einstein condensate during free fall in a 146-meter-tall evacuated drop tower. During the expansion over 1 second, the atoms form a giant coherent matter wave that is delocalized on a millimeter scale, which represents a promising source for matter-wave interferometry to test the universality of free fall with quantum matter.

  20. Quantum monodromy in trapped Bose condensates

    International Nuclear Information System (INIS)

    Waalkens, H.

    2002-01-01

    Bose-Einstein condensation of ultra cold atoms is typically realized in magnetic traps which effectively lead to an axially symmetric harmonic potential. This letter shows that the spectrum of collective vibrational modes of a repulsive condensate in a prolate potential displays a defect known as quantum monodromy. The monodromy is analysed on the basis of the dynamics of quasiparticles. In terms of the quasiparticles the regime of collective modes or the so-called hydrodynamic regime is characterized through kinetic energies much smaller than the chemical potential. In this limit the classical dynamics of the quasiparticles is integrable. The monodromy is quantitatively described by a monodromy matrix that is calculated from classical actions. (authors)

  1. Condensing Heat Exchanger with Hydrophilic Antimicrobial Coating

    Science.gov (United States)

    Thomas, Christopher M. (Inventor); Ma, Yonghui (Inventor)

    2014-01-01

    A multi-layer antimicrobial hydrophilic coating is applied to a substrate of anodized aluminum, although other materials may form the substrate. A silver layer is sputtered onto a thoroughly clean anodized surface of the aluminum to about 400 nm thickness. A layer of crosslinked, silicon-based macromolecular structure about 10 nm thickness overlies the silver layer, and the outermost surface of the layer of crosslinked, silicon-based macromolecular structure is hydroxide terminated to produce a hydrophilic surface with a water drop contact angle of less than 10.degree.. The coated substrate may be one of multiple fins in a condensing heat exchanger for use in the microgravity of space, which has narrow channels defined between angled fins such that the surface tension of condensed water moves water by capillary flow to a central location where it is pumped to storage. The antimicrobial coating prevents obstruction of the capillary passages.

  2. Hydrogen behavior in ice condenser containments

    Energy Technology Data Exchange (ETDEWEB)

    Lundstroem, P.; Hongisto, O. [Power Plant Lab., Helsinki (Finland); Theofanous, T.G. [Univ. of California, Santa Barbara, CA (United States)] [and others

    1995-09-01

    A new hydrogen management strategy is being developed for the Loviisa ice condenser containment. The strategy relies on containment-wide natural circulations that develop, once the ice condenser doors are forced open, to effectively produce a well-mixed behavior, and a correspondingly slow rise in hydrogen concentration. Levels can then be kept low by a distributed catalytic recombiner system, and (perhaps) an igniter system as a backup, while the associated energy releases can be effectively dissipated in the ice bed. Verification and fine-tuning of the approach is carried out experimentally in the VICTORIA facility and by associated scaling/modelling studies. VICTORIA represents an 1/15th scale model of the Loviisa containment, hydrogen is simulated by helium, and local concentration measurements are obtained by a newly developed instrument specifically for this purpose, called SPARTA. This paper is focused on experimental results from several key experiments that provide a first delineation of key behaviors.

  3. Faraday waves in Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Nicolin, Alexandru I.; Carretero-Gonzalez, R.; Kevrekidis, P. G.

    2007-01-01

    Motivated by recent experiments on Faraday waves in Bose-Einstein condensates we investigate both analytically and numerically the dynamics of cigar-shaped Bose-condensed gases subject to periodic modulation of the strength of the transverse confinement. We offer a fully analytical explanation of the observed parametric resonance, based on a Mathieu-type analysis of the non-polynomial Schroedinger equation. The theoretical prediction for the pattern periodicity versus the driving frequency is directly compared to the experimental data, yielding good qualitative and quantitative agreement between the two. These results are corroborated by direct numerical simulations of both the one-dimensional non-polynomial Schroedinger equation and of the fully three-dimensional Gross-Pitaevskii equation

  4. Condensation Mechanism of Hydrocarbon Field Formation.

    Science.gov (United States)

    Batalin, Oleg; Vafina, Nailya

    2017-08-31

    Petroleum geology explains how hydrocarbon fluids are generated, but there is a lack of understanding regarding how oil is expelled from source rocks and migrates to a reservoir. To clarify the process, the multi-layer Urengoy field in Western Siberia was investigated. Based on this example, we have identified an alternative mechanism of hydrocarbon field formation, in which oil and gas accumulations result from the phase separation of an upward hydrocarbon flow. There is evidence that the flow is generated by the gases released by secondary kerogen destruction. This study demonstrates that oil components are carried by the gas flow and that when the flow reaches a low-pressure zone, it condenses into a liquid with real oil properties. The transportation of oil components in the gas flow provides a natural explanation for the unresolved issues of petroleum geology concerning the migration process. The condensation mechanism can be considered as the main process of oil field formation.

  5. Development status of condensed cluster fusion theory

    International Nuclear Information System (INIS)

    Takahashi, Akito

    2015-01-01

    The condensed cluster fusion theory has been developed since 1989, under the view that dynamic ordering processes of confined transient clusters of D(H)-particles in catalytic surface sites, vacancies and global mesoscopic potential well of metal nanoparticles may induce simultaneous multi-body fusion reactions. One thorough answer is obtained for the condensation motion of clusters under platonic symmetry like 4D(H)/TSC, 6D(H)/RDC and 8D(H)/RDC and their fusion reaction rates. Theoretical analysis for initial dynamic clustering process on/in catalytic sites is still speculative and under searching a technique to combine the electron density functional method and the QM Langevin method. (author)

  6. Laser Processed Condensing Heat Exchanger Technology Development

    Science.gov (United States)

    Hansen, Scott; Wright, Sarah; Wallace, Sarah; Hamilton, Tanner; Dennis, Alexander; Zuhlke, Craig; Roth, Nick; Sanders, John

    2017-01-01

    The reliance on non-permanent coatings in Condensing Heat Exchanger (CHX) designs is a significant technical issue to be solved before long-duration spaceflight can occur. Therefore, high reliability CHXs have been identified by the Evolvable Mars Campaign (EMC) as critical technologies needed to move beyond low earth orbit. The Laser Processed Condensing Heat Exchanger project aims to solve these problems through the use of femtosecond laser processed surfaces, which have unique wetting properties and potentially exhibit anti-microbial growth properties. These surfaces were investigated to identify if they would be suitable candidates for a replacement CHX surface. Among the areas researched in this project include microbial growth testing, siloxane flow testing in which laser processed surfaces were exposed to siloxanes in an air stream, and manufacturability.

  7. Performance characterization of isolation condenser of SBWR

    International Nuclear Information System (INIS)

    Khan, H.J.; Rohatgi, U.S.

    1992-01-01

    A systematic study of the performance of the Isolation Condenser (IC) for a conceptual design of SBWR is presented. The objective of the IC is to passively remove heat and control the pressure variation in the Reactor Pressure Vessel (RPV). According to the observed trends, the IC cooling capacity and condensate flow can independently influence the ultimate performance of the IC. The transient pressure profile for the IC reaches different equilibrium values for each of the cases analyzed. The absolute magnitude of these values are a function of the cooling capacity and flow rates. With appropriate control of the liquid flow loss coefficients, the performance of the IC can be well predicted. Due to the lack of useful data, this study is limited to the numerical simulation of the IC

  8. A superheated Bose-condensed gas

    Science.gov (United States)

    Gaunt, Alexander L.; Fletcher, Richard J.; Smith, Robert P.; Hadzibabic, Zoran

    2013-05-01

    Our understanding of various states of matter usually relies on the assumption of thermodynamic equilibrium. However, the transitions between different phases of matter can be strongly affected by non-equilibrium phenomena. Here we demonstrate and explain an example of non-equilibrium stalling of a continuous, second-order phase transition. We create a superheated atomic Bose gas, in which a Bose-Einstein condensate (BEC) persists above the equilibrium critical temperature, Tc, if its coupling to the surrounding thermal bath is reduced by tuning interatomic interactions. For vanishing interactions the BEC persists in the superheated regime for a minute. However, if strong interactions are suddenly turned on, it rapidly boils away. Our observations can be understood within a two-fluid picture, treating the condensed and thermal components of the gas as separate equilibrium systems with a tunable inter-component coupling. We experimentally reconstruct a non-equilibrium phase diagram of our gas, and theoretically reproduce its main features.

  9. A tumbling top-quark condensate model

    International Nuclear Information System (INIS)

    Martin, S.P.

    1992-01-01

    We propose a renormalizable model with no fundamental scalars which breaks itself in the manner of a ''tumbling'' gauge theory down to the standard model with a top-quark condensate. Because of anomaly cancellation requirements, this model contains two color sextet fermions (quixes), which are vector-like with respect to the standard model gauge group. The model also has a large number of pseudo-Nambu-Goldstone bosons, some of which can be light. The top-quark condensate is responsible for breaking the electroweak gauge symmetry and gives the top quark a large mass. We discuss the qualitative features and instructive shortcomings of the model in its present form. We also show that this model can be naturally embedded into an aesthetically pleasing model in which the standard model fermion appear symmetrically

  10. Essence of the Vacuum Quark Condensate

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, Stanley J.; /SLAC /Southern Denmark U., CP3-Origins; Roberts, Craig D.; /Argonne, PHY /Peking U.; Shrock, Robert; /YITP, Stony Brook; Tandy, Peter C.; /Kent State U.

    2010-08-25

    We show that the chiral-limit vacuum quark condensate is qualitatively equivalent to the pseudoscalar meson leptonic decay constant in the sense that they are both obtained as the chiral-limit value of well-defined gauge-invariant hadron-to-vacuum transition amplitudes that possess a spectral representation in terms of the current-quark mass. Thus, whereas it might sometimes be convenient to imagine otherwise, neither is essentially a constant mass-scale that fills all spacetime. This means, in particular, that the quark condensate can be understood as a property of hadrons themselves, which is expressed, for example, in their Bethe-Salpeter or light-front wavefunctions.

  11. Kaon condensation and multi-strange matter

    Czech Academy of Sciences Publication Activity Database

    Gazda, Daniel; Friedman, E.; Gal, A.; Mareš, Jiří

    2010-01-01

    Roč. 835, 1-4 (2010), s. 287-294 ISSN 0375-9474. [10th International Conference on Hypernuclear and Strange Particle Physics. Tokai, 14.09.2009-18.09.2009] Institutional research plan: CEZ:AV0Z10480505 Keywords : K)over-bar deeply bound nuclear states * multi-(K)over-bar nuclei * kaon condensation Subject RIV: BE - Theoretical Physics Impact factor: 1.986, year: 2010

  12. Bouncing cosmologies from quantum gravity condensates

    Science.gov (United States)

    Oriti, Daniele; Sindoni, Lorenzo; Wilson-Ewing, Edward

    2017-02-01

    We show how the large-scale cosmological dynamics can be obtained from the hydrodynamics of isotropic group field theory condensate states in the Gross-Pitaevskii approximation. The correct Friedmann equations are recovered in the classical limit for some choices of the parameters in the action for the group field theory, and quantum gravity corrections arise in the high-curvature regime causing a bounce which generically resolves the big-bang and big-crunch singularities.

  13. Inflation induced by Gravitino Condensation in Supergravity

    CERN Document Server

    Ellis, John

    2013-01-01

    We discuss the emergence of an inflationary phase in supergravity with the super-Higgs effect due to dynamical spontaneous breaking of supersymmetry, in which the role of the inflaton is played by the gravitino condensate. Realistic models compatible with the Planck satellite CMB data are found in conformal supergravity scenarios with dynamical gravitino masses that are small compared to the Planck mass, as could be induced by a non-trivial vacuum expectation value of the dilaton superfield of appropriate magnitude.

  14. THE COLOUR GLASS CONDENSATE: AN INTRODUCTION

    International Nuclear Information System (INIS)

    Iancu, E.; Leonidov, A.; McLerran, L.

    2001-01-01

    In these lectures, the authors develop the theory of the Colour Glass Condensate. This is the matter made of gluons in the high density environment characteristic of deep inelastic scattering or hadron-hadron collisions at very high energy. The lectures are self contained and comprehensive. They start with a phenomenological introduction, develop the theory of classical gluon fields appropriate for the Colour Glass, and end with a derivation and discussion of the renormalization group equations which determine this effective theory

  15. THE COLOUR GLASS CONDENSATE: AN INTRODUCTION

    Energy Technology Data Exchange (ETDEWEB)

    IANCU,E.; LEONIDOV,A.; MCLERRAN,L.

    2001-08-06

    In these lectures, the authors develop the theory of the Colour Glass Condensate. This is the matter made of gluons in the high density environment characteristic of deep inelastic scattering or hadron-hadron collisions at very high energy. The lectures are self contained and comprehensive. They start with a phenomenological introduction, develop the theory of classical gluon fields appropriate for the Colour Glass, and end with a derivation and discussion of the renormalization group equations which determine this effective theory.

  16. Synthesis of double condensed cesium gallium phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Chudinova, N.N.; Grunze, I.; Guzeeva, L.S.; Avaliani, M.A.

    1987-09-01

    By crystallization from melts of polyphosphoric acids there are obtained double condensed phosphates of cesium and gallium of the following compositions: Cs/sub 2/GaH/sub 3/(P/sub 2/O/sub 7/)/sub 2/, CsGaHP/sub 3/O/sub 10/, Cs/sub 3/Ga/sub 3/P/sub 12/O/sub 36/. Their x-ray characteristics are given.

  17. A simple analytic solution for tachyon condensation

    Czech Academy of Sciences Publication Activity Database

    Erler, Theodore

    2010-01-01

    Roč. 163, č. 3 (2010), s. 705-709 ISSN 0040-5779 Grant - others:EUROHORC(XE) EYI/07/E010 Institutional research plan: CEZ:AV0Z10100502 Keywords : tachyon condensation * string field theory Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 0.748, year: 2010 http://www.springerlink.com/content/h22568xk246j1781/

  18. Landau damping in trapped Bose condensed gases

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, B; Zaremba, E [Department of Physics, Queen' s University, Kingston, ON K7L 3N6 (Canada)

    2003-07-01

    We study Landau damping in dilute Bose-Einstein condensed gases in both spherical and prolate ellipsoidal harmonic traps. We solve the Bogoliubov equations for the mode spectrum in both of these cases, and calculate the damping by summing over transitions between excited quasiparticle states. The results for the spherical case are compared to those obtained in the Hartree-Fock (HF) approximation, where the excitations take on a single-particle character, and excellent agreement between the two approaches is found. We have also taken the semiclassical limit of the HF approximation and obtain a novel expression for the Landau damping rate involving the time-dependent self-diffusion function of the thermal cloud. As a final approach, we study the decay of a condensate mode by making use of dynamical simulations in which both the condensate and thermal cloud are evolved explicitly as a function of time. A detailed comparison of all these methods over a wide range of sample sizes and trap geometries is presented.

  19. Measuring non-condensable gases in steam.

    Science.gov (United States)

    van Doornmalen, J P C M; Kopinga, K

    2013-11-01

    In surgery, medical devices that are used should be sterilized. To obtain surface steam sterilization conditions, not only in the sterilizer chamber itself but also in the loads to be sterilized, the amount of non-condensable gases (NCGs), for instance air, should be very low. Even rather small fractions of NCGs (below 1%) seriously hamper steam penetration in porous materials or devices with hollow channels (e.g., endoscopes). A recently developed instrument which might detect the presence of residual NCGs in a reliable and reproducible way is the 3M(TM) Electronic Test System (ETS). In this paper, a physical model is presented that describes the behavior of this instrument. This model has been validated by experiments in which known fractions of NCGs were introduced in a sterilizer chamber in which an ETS was placed. Despite several approximations made in the model, a good agreement is found between the model predictions and the experimental results. The basic principle of the ETS, measuring the heat transfer by condensation on a cooled surface, permits a very sensitive detection of NCGs in harsh environments like water vapor at high temperatures and pressures. Our model may serve to develop adapted and optimized versions of this instrument for use outside the field of sterilization, e.g., in heat exchangers based on steam condensation.

  20. Physics of hollow Bose-Einstein condensates

    Science.gov (United States)

    Padavić, Karmela; Sun, Kuei; Lannert, Courtney; Vishveshwara, Smitha

    2017-10-01

    Bose-Einstein condensate shells, while occurring in ultracold systems of coexisting phases and potentially within neutron stars, have yet to be realized in isolation on Earth due to the experimental challenge of overcoming gravitational sag. Motivated by the expected realization of hollow condensates by the space-based Cold Atomic Laboratory in microgravity conditions, we study a spherical condensate undergoing a topological change from a filled sphere to a hollow shell. We argue that the collective modes of the system show marked and robust signatures of this hollowing transition accompanied by the appearance of a new boundary. In particular, we demonstrate that the frequency spectrum of the breathing modes shows a pronounced depression as it evolves from the filled-sphere limit to the hollowing transition. Furthermore, when the center of the system becomes hollow surface modes show a global restructuring of their spectrum due to the availability of a new, inner, surface for supporting density distortions. We pinpoint universal features of this topological transition as well as analyse the spectral evolution of collective modes in the experimentally relevant case of a bubble-trap.

  1. Geysers advanced direct contact condenser research

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, J.; Bahning, T.; Bharathan, D.

    1997-12-31

    The first geothermal application of the Advanced Direct Contact Condenser (ADCC) technology developed by the National Renewable Energy Laboratory (NREL) is now operational and is being tested at The Geysers Power Plant Unit 11. This major research effort is being supported through the combined efforts of NREL, The Department of Energy (DOE), and Pacific Gas and Electric (PG&E). NREL and PG&E have entered into a Cooperative Research And Development Agreement (CRADA) for a project to improve the direct-contact condenser performance at The Geysers Power Plant. This project is the first geothermal adaptation of an advanced condenser design developed for the Ocean Thermal Energy Conversion (OTEC) systems. PG&E expects this technology to improve power plant performance and to help extend the life of the steam field by using steam more efficiently. In accordance with the CRADA, no money is transferred between the contracting parties. In this case the Department of Energy is funding NREL for their efforts in this project and PG&E is contributing funds in kind. Successful application of this technology at The Geysers will provide a basis for NREL to continue to develop this technology for other geothermal and fossil power plant systems.

  2. Improvements of condenser performance with granulate balls

    International Nuclear Information System (INIS)

    Bratthaell, L.

    1986-05-01

    At the nuclear power plant Oskarshamn has during time Nov 1983 - Apr 1985 test series been done to investigate the improvements of condensor performance with granulate balls. This type of ball is a normal sponge rubber ball coated with granulated plastic material. This material is, different from carborundum and pumice not abrasive to the tube material. The test results show that granulate balls give an improvement of the overall heat transfer coefficient of 5-7 percent compared to continous cleaning with normal sponge rubber balls. Granulate balls remove the utmost thin coating of organic material that the spong rubber balls are not able to remove and a practically metallic clean surface is established. This has been verified by laboratory inspection of tubes withdrawn from the tube bundle and site inspections of the condenser. When the condenser is cleaned by granulate balls during a period of about three days it is possible to keep the performance at a high level for a long time with continous cleaning with normal sponge rubber balls. After about three days the plastic layer on the balls is practically worned out. The balls have during that time fulfilled their function. The improvement in condenser temperature is 1,0-1,5 degree C. For the 02-turbine this means additional delivered energy of about 15000 MWh per year. (author)

  3. Enantiodivergent synthesis of either enantiomer of ABCDE-ring analogue of antitumor antibiotic fredericamycin A via intramolecular [4 + 2] cycloaddition approach.

    Science.gov (United States)

    Akai, S; Tsujino, T; Fukuda, N; Iio, K; Takeda, Y; Kawaguchi Ki, K; Naka, T; Higuchi, K; Kita, Y

    2001-12-13

    [reaction: see text] An intramolecular enantiodivergent synthesis of both enantiomers of the ABCDE-ring analogue 22 of fredericamycin A is reported. Key steps involve an intramolecular [4 + 2] cycloaddition of 17 and an aromatic Pummerer-type reaction of 19. A lipase-catalyzed enantioselective desymmetrization of prochiral diol 2 using 1-ethoxyvinyl 2-furoate 3 led to the pivotal intermediate (R)-4.

  4. On inflation in the presence of a gaugino condensate

    International Nuclear Information System (INIS)

    Lebedev, Oleg; Papineau, Chloe

    2009-07-01

    We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe. (orig.)

  5. On inflation in the presence of a gaugino condensate

    International Nuclear Information System (INIS)

    Lebedev, Oleg; Papineau, Chloe; Postma, Marieke

    2010-01-01

    We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model-independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe.

  6. On inflation in the presence of a gaugino condensate

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, Oleg; Papineau, Chloe [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group; Postma, Marieke [NIKHEF, Amsterdam (Netherlands)

    2009-07-15

    We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe. (orig.)

  7. On inflation in the presence of a gaugino condensate

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, Oleg [DESY Theory Group, Notkestrasse 85, D-22607 Hamburg (Germany); Papineau, Chloe, E-mail: chloe.papineau@desy.d [DESY Theory Group, Notkestrasse 85, D-22607 Hamburg (Germany); Postma, Marieke [NIKHEF, Kruislaan 409, 1098 Amsterdam (Netherlands)

    2010-02-08

    We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model-independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe.

  8. Competition between Bose-Einstein Condensation and Spin Dynamics.

    Science.gov (United States)

    Naylor, B; Brewczyk, M; Gajda, M; Gorceix, O; Maréchal, E; Vernac, L; Laburthe-Tolra, B

    2016-10-28

    We study the impact of spin-exchange collisions on the dynamics of Bose-Einstein condensation by rapidly cooling a chromium multicomponent Bose gas. Despite relatively strong spin-dependent interactions, the critical temperature for Bose-Einstein condensation is reached before the spin degrees of freedom fully thermalize. The increase in density due to Bose-Einstein condensation then triggers spin dynamics, hampering the formation of condensates in spin-excited states. Small metastable spinor condensates are, nevertheless, produced, and they manifest in strong spin fluctuations.

  9. 40 CFR 405.110 - Applicability; description of the condensed whey subcategory.

    Science.gov (United States)

    2010-07-01

    ... condensed whey subcategory. 405.110 Section 405.110 Protection of Environment ENVIRONMENTAL PROTECTION... Condensed Whey Subcategory § 405.110 Applicability; description of the condensed whey subcategory. The... whey and condensed acid whey. ...

  10. Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tsung-Lung, E-mail: quantum@mail.ncyu.edu.tw [Department of Electrophysics, National Chia-Yi University, 300 Hsueh-Fu Road, Chiayi, 60004, Taiwan, ROC (China); Lu, Wen-Cai, E-mail: wencailu@jlu.edu.cn [Laboratory of Fiber Materials and Modern Textile, Growing Base for State Key Laboratory, College of Physics, Qingdao University, Qingdao, Shandong 266071 (China); State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021 (China)

    2016-11-01

    The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li{sub 1} Rub and Na{sub 1} Rub) isomers are investigated and compared with monopotassium-rubrene (K{sub 1} Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li{sub 1} Rub and Na{sub 1} Rub are intercalated structures, whereas the minimum-energy K{sub 1} Rub is adsorbed. The fact that the intercalated Li{sub 1} Rub and Na{sub 1} Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li{sub 1} Rub/Na{sub 1} Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K{sub 1} Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li{sub 1} Rub/Na{sub 1} Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of

  11. Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

    International Nuclear Information System (INIS)

    Li, Tsung-Lung; Lu, Wen-Cai

    2016-01-01

    The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li 1 Rub and Na 1 Rub) isomers are investigated and compared with monopotassium-rubrene (K 1 Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li 1 Rub and Na 1 Rub are intercalated structures, whereas the minimum-energy K 1 Rub is adsorbed. The fact that the intercalated Li 1 Rub and Na 1 Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li 1 Rub/Na 1 Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K 1 Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li 1 Rub/Na 1 Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of distributing over the central two fused rings than over the outer two

  12. Quantification of chromatin condensation level by image processing.

    Science.gov (United States)

    Irianto, Jerome; Lee, David A; Knight, Martin M

    2014-03-01

    The level of chromatin condensation is related to the silencing/activation of chromosomal territories and therefore impacts on gene expression. Chromatin condensation changes during cell cycle, progression and differentiation, and is influenced by various physicochemical and epigenetic factors. This study describes a validated experimental technique to quantify chromatin condensation. A novel image processing procedure is developed using Sobel edge detection to quantify the level of chromatin condensation from nuclei images taken by confocal microscopy. The algorithm was developed in MATLAB and used to quantify different levels of chromatin condensation in chondrocyte nuclei achieved through alteration in osmotic pressure. The resulting chromatin condensation parameter (CCP) is in good agreement with independent multi-observer qualitative visual assessment. This image processing technique thereby provides a validated unbiased parameter for rapid and highly reproducible quantification of the level of chromatin condensation. Copyright © 2013 IPEM. Published by Elsevier Ltd. All rights reserved.

  13. Intramolecular Valence and Spin Interaction in meso and rac Diastereomers of a p-Quinonoid-Bridged Diruthenium Complex

    Czech Academy of Sciences Publication Activity Database

    Kumbhakar, D.; Sarkar, B.; Maji, S.; Mobin, S. M.; Fiedler, Jan; Urbanos, F. A.; Jimenez-Aparicio, R.; Kaim, W.; Lahiri, G. K.

    2008-01-01

    Roč. 130, č. 51 (2008), s. 17575-17583 ISSN 0002-7863 R&D Projects: GA MŠk OC 139; GA MŠk LC510 Institutional research plan: CEZ:AV0Z40400503 Keywords : intramolecular valence * spin interaction * diruthenium complex Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.091, year: 2008

  14. On Hydrogen Bonding in the Intramolecularly Chelated Taitomers of Enolic Malondialdehyde and its Mono- and Dithio-Analogues

    DEFF Research Database (Denmark)

    Carlsen, Lars; Duus, Fritz

    1980-01-01

    The intramolecular hydrogen bondings in enolic malondialdehyde and it mono- and dithio-analogues have been evaluated by a semiempricial SCF–MO–CNDO method. The calculations predict that the hydrogen bonds play an important part in the stabilities of malondialdehyde and monothiomalondialdehyde...

  15. Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome c4

    DEFF Research Database (Denmark)

    Natzmutdinov, Renat R.; Bronshtein, Michael D.; Zinkicheva, Tamara T.

    2012-01-01

    The di-heme protein Pseudomonas stutzeri cytochrome c4 (cyt c4) has emerged as a useful model for studying long-range protein electron transfer (ET). Recent experimental observations have shown a dramatically different pattern of intramolecular ET between the two heme groups in different local...

  16. Enantioselective synthesis of benzofurans and benzoxazines via an olefin cross-metathesis-intramolecular oxo-Michael reaction.

    Science.gov (United States)

    Zhang, Jun-Wei; Cai, Quan; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li

    2013-09-11

    Chiral phosphoric acid and Hoveyda-Grubbs II were found to catalyze an olefin cross-metathesis-intramolecular oxo-Michael cascade reaction of the ortho-allylphenols and enones to provide a variety of benzofuran and benzoxazine derivatives in moderate to good yields and enantioselectivity.

  17. The effect of driving force on intramolecular electron transfer in proteins. Studies on single-site mutated azurins

    DEFF Research Database (Denmark)

    Farver, O; Skov, L K; van de Kamp, M

    1992-01-01

    An intramolecular electron-transfer process has previously been shown to take place between the Cys3--Cys26 radical-ion (RSSR-) produced pulse radiolytically and the Cu(II) ion in the blue single-copper protein, azurin [Farver, O. & Pecht, I. (1989) Proc. Natl Acad. Sci. USA 86, 6868-6972]. To fu...

  18. Asymmetric Synthesis of (-)-Incarvillateine Employing an Intramolecular Alkylation via Rh-Catalyzed Olefinic C-H Bond Activation

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, Andy; Bergman, Robert; Ellman, Jonathan

    2008-02-18

    An asymmetric total synthesis of (-)-incarvillateine, a natural product having potent analgesic properties, has been achieved in 11 steps and 15.4% overall yield. The key step is a rhodium-catalyzed intramolecular alkylation of an olefinic C-H bond to set two stereocenters. Additionally, this transformation produces an exocyclic, tetrasubstituted alkene through which the bicyclic piperidine moiety can readily be accessed.

  19. Environment-sensitive quinolone demonstrating long-lived fluorescence and unusually slow excited-state intramolecular proton transfer kinetics

    Czech Academy of Sciences Publication Activity Database

    Zamotaiev, O. M.; Shvadchak, Volodymyr; Sych, T. P.; Melnychuk, N. A.; Yushchenko, Dmytro A.; Mely, Y.; Pivovarenko, V. G.

    2016-01-01

    Roč. 4, č. 3 (2016), č. článku 034004. ISSN 2050-6120 Institutional support: RVO:61388963 Keywords : quinolone * fluorescent probes * local polarity * hydration * excited-state intramolecular proton transfer * kinetics Subject RIV: CC - Organic Chemistry Impact factor: 2.656, year: 2016

  20. Bifunctional ferrocene-based squaramide-phosphine as an organocatalyst for highly enantioselective intramolecular Morita-Baylis-Hillman reaction.

    Science.gov (United States)

    Zhang, Xiaorui; Ma, Pengfei; Zhang, Dongxu; Lei, Yang; Zhang, Shengyong; Jiang, Ru; Chen, Weiping

    2014-04-21

    This work demonstrates that, in accord with metal catalysis, ferrocene could be an excellent scaffold for organocatalysts. The simple and easily accessible bifunctional ferrocene-based squaramide-phosphine shows high enantioselectivity in the intramolecular Morita-Baylis-Hillman reaction of 7-aryl-7-oxo-5-heptenals, giving a variety of 2-aroyl-2-cyclohexenols in up to 96% ee.

  1. Intramolecular TAT triplex in (dA).sub.58. (dT).sub.58. Influence of ions

    Czech Academy of Sciences Publication Activity Database

    Pečinka, Petr; Huertas, D.; Azorín, F.; Paleček, Emil

    1995-01-01

    Roč. 13, č. 1 (1995), s. 029-046 ISSN 0739-1102 R&D Projects: GA AV ČR IAA504402; GA ČR GA204/93/2336 Keywords : intramolecular triplex * H-DNA * chemical probing * osmium tetroxide complex * DEPC Impact factor: 1.528, year: 1995

  2. Assessment of RELAP5/MOD3.3 condensation models for the tube bundle condensation in the PCCS of ESBWR

    International Nuclear Information System (INIS)

    Zhou, W.; Wolf, B.; Revankar, S.T.

    2011-01-01

    The passive containment condenser system (PCCS) in an ESBWR reactor consists of vertical tube bundle submerged in a large pool of water. The condensation model for the PCCS in a thermalhydraulics code RELAP5/MOD3.3 consists of the default Nusselt model and an alternate condensation model from UCB condensation correlation. An assessment of the PCCS condensation model in RELAP5/MOD3.3 was carried out using experiments conducted on a single tube and tube bundle PCCS tests at Purdue University. The experimental conditions were simulated with the default and the alternate condensation models in the REALP5/MOD3.3 beta version of the code. The default model and the UCB model (alternate model) give quite different results on condensation heat transfer for the PCCS. The default model predicts complete condensation well whereas the UCB model predicts the through flow condensation well. Based on this study it was found that none of the models in REALP5 can predict complete condensation as well as the through flow condensation well. (author)

  3. Deuterium isotope effect on the intramolecular electron transfer in Pseudomonas aeruginosa azurin

    DEFF Research Database (Denmark)

    Farver, O.; Zhang, Jingdong; Chi, Qijin

    2001-01-01

    -0' is also different, yielding entropy changes of -57 J K-1 mol-l in water and -84 J K-1 mol(-1) in deuterium oxide. The driving force difference of 10 mV is in keeping with the kinetic isotope effect, but the contribution to DeltaS(double dagger) from the temperature dependence of E-0' is positive......Intramolecular electron transfer in azurin in water and deuterium oxide has been studied over a broad temperature range. The kinetic deuterium isotope effect, k(H)/k(D), is smaller than unity (0.7 at 298 K), primarily caused by the different activation entropies in water (-56.5 J K-1 mol(-1...... entropy difference and to compensate for the different temperature dependencies of E-0'. Thus, differences in driving force and thermal expansion appear as the most straightforward rationale for the observed isotope effect....

  4. Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.

    Science.gov (United States)

    Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G; Glorius, Frank

    2017-05-10

    A bicyclic olefin was discovered as a cocatalyst in a Cp*Rh(III)-catalyzed C-H bond amidation proceeding by an intramolecular amide transfer in N-phenoxyacetamide derivatives. Combining experimental and theoretical studies, we propose that the olefin promotes a Rh(III) intermediate to undergo oxidative addition into the O-N bond to form a Rh(V) nitrenoid species and subsequently direct the nitrenoid to add to the ortho position. The amide directing group plays a dual role as a cleavable coordinating moiety as well as an essential coupling partner for the C-H amidation. This methodology was successfully applied to the late-stage diversification of natural products and a marketed drug under mild conditions.

  5. GTP binding to the ROC domain of DAP-kinase regulates its function through intramolecular signalling

    Science.gov (United States)

    Carlessi, Rodrigo; Levin-Salomon, Vered; Ciprut, Sara; Bialik, Shani; Berissi, Hanna; Albeck, Shira; Peleg, Yoav; Kimchi, Adi

    2011-01-01

    Death-associated protein kinase (DAPk) was recently suggested by sequence homology to be a member of the ROCO family of proteins. Here, we show that DAPk has a functional ROC (Ras of complex proteins) domain that mediates homo-oligomerization and GTP binding through a defined P-loop motif. Upon binding to GTP, the ROC domain negatively regulates the catalytic activity of DAPk and its cellular effects. Mechanistically, GTP binding enhances an inhibitory autophosphorylation at a distal site that suppresses kinase activity. This study presents a new mechanism of intramolecular signal transduction, by which GTP binding operates in cis to affect the catalytic activity of a distal domain in the protein. PMID:21738225

  6. Di- and sesquiterpenoids from Cystoseira genus: structure, intra-molecular transformations and biological activity.

    Science.gov (United States)

    Gouveia, Vera; Seca, Ana M L; Barreto, M Carmo; Pinto, Diana C G A

    2013-06-01

    Natural products have been the single most productive source of leads for the development of drugs, because of the great variety of their chemical structures. Previous chemical investigation of members of the genus Cystoseira resulted in the discovery of various bioactive secondary metabolites. The secondary metabolites isolated and characterized are very interesting, both from the biological activity and structural complexity points of view, which make this genus an attractive target for further investigations. The present review covers the research progress on natural products isolated from this genus since January 1995 until now, concerning the isolation and structural elucidation of the secondary metabolites from Cystoseira species. In this contribution significant biological properties are briefly discussed. Simultaneously, we gradually construct an intra-molecular pathway that logically interrelates the isolated compounds.

  7. Electron capture dissociation proceeds with a low degree of intramolecular migration of peptide amide hydrogens

    DEFF Research Database (Denmark)

    Rand, Kasper D; Adams, Christopher M; Zubarev, Roman A

    2008-01-01

    ECD using peptides with a unique selective deuterium incorporation. Our results show that only limited amide hydrogen migration occurs upon ECD, provided that vibrational excitation prior to the electron capture event is minimized. Peptide ions that are excessively vibrationally excited......Hydrogen (1H/2H) exchange combined with mass spectrometry (HX-MS) has become a recognized method for the analysis of protein structural dynamics. Presently, the incorporated deuterons are typically localized by enzymatic cleavage of the labeled proteins and single residue resolution is normally...... only obtained for a few residues. Determination of site-specific deuterium levels by gas-phase fragmentation in tandem mass spectrometers would greatly increase the applicability of the HX-MS method. The biggest obstacle in achieving this goal is the intramolecular hydrogen migration (i.e., hydrogen...

  8. Photophysical Model of 10-Hydroxybenzo[h]quinoline: Internal Conversion and Excited State Intramolecular Proton Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Junghwa; Joo, Taiha [Pohang Univ. of Science and Technology, Pohang (Korea, Republic of)

    2014-03-15

    Photophysics of 10-hydroxybenzo[h]quinoline (HBQ) has been in controversy, in particular, on the nature of the electronic states before and after the excited state intramolecular proton transfer (ESIPT), even though the dynamics and mechanism of the ESIPT have been well established. We report highly time resolved fluorescence spectra over the full emission frequency regions of the enol and keto isomers and the anisotropy in time domain to determine the accurate rates of the population decay, spectral relaxation and anisotropy decay of the keto isomer. We have shown that the ∼300 fs component observed frequently in ESIPT dynamics arises from the S{sub 2}→S{sub 1} internal conversion in the reaction product keto isomer and that the ESIPT occurs from the enol isomer in S{sub 1} state to the keto isomer in S{sub 2} state.

  9. Intramolecular synergistic effect of glutamic acid, cysteine and glycine against copper corrosion in hydrochloric acid solution

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Daquan, E-mail: zhdq@sh163.net [Department of Environmental Engineering, Shanghai University of Electric Power, Shanghai 200090 (China); Xie Bin; Gao Lixin; Cai Qirui [Department of Environmental Engineering, Shanghai University of Electric Power, Shanghai 200090 (China); Joo, Hyung Goun; Lee, Kang Yong [Stress Analysis and Failure Design Laboratory, School of Mechanical Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of)

    2011-10-31

    The corrosion protection of copper by glutamic acid, cysteine, glycine and their derivative (glutathione) in 0.5 M hydrochloric acid solution has been studied by the electrochemical impedance spectroscopy and cyclic voltammetry. The inhibition efficiency of the organic inhibitors on copper corrosion increases in the order: glutathione > cysteine > cysteine + glutamic acid + glycine > glutamic acid > glycine. Maximum inhibition efficiency for cysteine reaches about 92.9% at 15 mM concentration level. The glutathione can give 96.4% inhibition efficiency at a concentration of 10 mM. The molecular structure parameters were obtained by PM3 (Parametric Method 3) semi-empirical calculation. The intramolecular synergistic effect of glutamic acid, cysteine and glycine moieties in glutathione is attributed to the lower energy of the lowest unoccupied molecular orbital (E{sub LUMO}) level and to the excess hetero-atom adsorption centers and the bigger coverage on the copper surface.

  10. Intramolecular migration of amide hydrogens in protonated peptides upon collisional activation

    DEFF Research Database (Denmark)

    Jørgensen, Thomas J D; Gårdsvoll, Henrik; Ploug, Michael

    2005-01-01

    if collision-induced dissociation (CID) should provide reliable site-specific information from (1)H/(2)H exchange experiments. We have explored a series of unique, regioselectively deuterium-labeled peptides as model systems to probe for intramolecular amide hydrogen migration under low-energy collisional...... are protected against exchange with the solvent, while the amide hydrogens of the nonbinding sequences exchange rapidly with the solvent. We have utilized such long-lived complexes to generate peptides labeled with deuterium in either the binding or nonbinding region, and the expected regioselectivity...... of this labeling was confirmed after pepsin proteolysis. CID of such deuterated peptides, [M + 2H](2+), yielded fragment ions (b- and y-ions) having a deuterium content that resemble the theoretical values calculated for 100% scrambling. Thus, complete randomization of all hydrogen atoms attached to nitrogen...

  11. Unusual NHC-Iridium(I) Complexes and Their Use in the Intramolecular Hydroamination of Unactivated Aminoalkenes

    KAUST Repository

    Sipos, Gellért

    2016-04-10

    N-heterocyclic carbene (NHC) ligands with naphthyl side chains were employed for the synthesis of unsaturated, yet isolable [(NHC)Ir(cod)]+ (cod=1,5-cyclooctadiene) complexes. These compounds are stabilised by an interaction of the aromatic wingtip that leads to a sideways tilt of the NHC-Ir bond. Detailed studies show how the tilting of such N-heterocyclic carbenes affects the electronic shielding properties of the carbene carbon atom and how this is reflected by significant upfield shifts in the 13CNMR signals. When employed in the intramolecular hydroamination, these [(NHC)Ir(cod)]+ species show very high catalytic activity under mild reaction conditions. An enantiopure version of the catalyst system produces pyrrolidines with excellent enantioselectivities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Controlling Long-Lived Triplet Generation from Intramolecular Singlet Fission in the Solid State

    KAUST Repository

    Pace, Natalie A.

    2017-11-30

    The conjugated polymer poly(benzothiophene dioxide) (PBTDO1) has recently been shown to exhibit efficient intramolecular singlet fission in solution. In this paper, we investigate the role of intermolecular interactions in triplet separation dynamics after singlet fission. We use transient absorption spectroscopy to determine the singlet fission rate and triplet yield in two polymers differing only by side chain motif in both solution and the solid state. Whereas solid-state films show singlet fission rates identical to those measured in solution, the average lifetime of the triplet population increases dramatically, and is strongly dependent on side-chain identity. These results show that it may be necessary to carefully engineer the solid-state microstructure of these “singlet fission polymers” in order to produce the long-lived triplets needed to realize efficient photovoltaic devices.

  13. Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory.

    Science.gov (United States)

    Pandey, Indresh Kumar; Natarajan, Mookan; Faujdar, Hemlata; Hussain, Firasat; Stein, Matthias; Kaur-Ghumaan, Sandeep

    2018-04-03

    The mono-substituted complex [Fe2(CO)5(μ-naphthalene-2-thiolate)2(P(PhOMe-p)3)] was prepared taking after the structural principles from both [NiFe] and [FeFe]-hydrogenase enzymes. Crystal structures are reported for this complex and the all carbonyl analogue. The bridging naphthalene thiolates resemble μ-bridging cysteine amino acids. One of the naphthyl moieties forms π-π stacking interactions with the terminal bulky phosphine ligand in the crystal structure and in calculations. This interaction stabilizes the reduced and protonated forms during electrocatalytic proton reduction in the presence of acetic acid and hinders the rotation of the phosphine ligand. The intramolecular π-π stabilization, the electrochemistry and the mechanism of the hydrogen evolution reaction were investigated using computational approaches.

  14. Voltage Losses in Organic Solar Cells: Understanding the Contributions of Intramolecular Vibrations to Nonradiative Recombinations

    KAUST Repository

    Chen, Xiankai

    2017-12-18

    The large voltage losses usually encountered in organic solar cells significantly limit the power conversion efficiencies (PCEs) of these devices, with the result that the current highest PCE values in single-junction organic photovoltaic remain smaller than for other solar cell technologies, such as crystalline silicon or perovskite solar cells. In particular, the nonradiative recombinations to the electronic ground state from the lowest-energy charge-transfer (CT) states at the donor-acceptor interfaces in the active layer of organic devices, are responsible for a significant part of the voltage losses. Here, to better comprehend the nonradiative voltage loss mechanisms, a fully quantum-mechanical rate formula is employed within the framework of time-dependent perturbation theory, combined with density functional theory. The objective is to uncover the specific contributions of intramolecular vibrations to the CT-state nonradiative recombinations in several model systems, which include small-molecule and polymer donors as well as fullerene and nonfullerene acceptors.

  15. Intramolecular synergistic effect of glutamic acid, cysteine and glycine against copper corrosion in hydrochloric acid solution

    International Nuclear Information System (INIS)

    Zhang Daquan; Xie Bin; Gao Lixin; Cai Qirui; Joo, Hyung Goun; Lee, Kang Yong

    2011-01-01

    The corrosion protection of copper by glutamic acid, cysteine, glycine and their derivative (glutathione) in 0.5 M hydrochloric acid solution has been studied by the electrochemical impedance spectroscopy and cyclic voltammetry. The inhibition efficiency of the organic inhibitors on copper corrosion increases in the order: glutathione > cysteine > cysteine + glutamic acid + glycine > glutamic acid > glycine. Maximum inhibition efficiency for cysteine reaches about 92.9% at 15 mM concentration level. The glutathione can give 96.4% inhibition efficiency at a concentration of 10 mM. The molecular structure parameters were obtained by PM3 (Parametric Method 3) semi-empirical calculation. The intramolecular synergistic effect of glutamic acid, cysteine and glycine moieties in glutathione is attributed to the lower energy of the lowest unoccupied molecular orbital (E LUMO ) level and to the excess hetero-atom adsorption centers and the bigger coverage on the copper surface.

  16. Comparative analysis of intramolecular parameters of nitrocompounds: crystalline and gas phases

    Science.gov (United States)

    Arnautova, Elena A.; Pivina, Tatyana S.; Gladkikh, Olga P.; Vilkov, Lev V.

    1996-01-01

    The results of a study of intramolecular parameters for chemical classes of nitrocompounds in different states of aggregation are collected and analyzed: electron-diffraction experiments and microwave spectroscopy for the gas phase, and X-ray diffraction (from the Cambridge Bank of X-ray and neutron-diffraction data) for molecules in crystals. Systematic analysis of molecular structural parameters for valence bonds and angles of the nitrogroups in these compounds shows these properties to be conserved. This allows us to use the calculated geometrical molecular parameters of nitrocompounds (obtained theoretically by quantum-chemical schemes) when building models of base (rigid) molecules for constructing elementary cells within different structural classes, with the aim of a subsequent computer search for dense packing in the corresponding molecular crystals.

  17. Mechanisms of intramolecular communication in a hyperthermophilic acylaminoacyl peptidase: a molecular dynamics investigation.

    Science.gov (United States)

    Papaleo, Elena; Renzetti, Giulia; Tiberti, Matteo

    2012-01-01

    Protein dynamics and the underlying networks of intramolecular interactions and communicating residues within the three-dimensional (3D) structure are known to influence protein function and stability, as well as to modulate conformational changes and allostery. Acylaminoacyl peptidase (AAP) subfamily of enzymes belongs to a unique class of serine proteases, the prolyl oligopeptidase (POP) family, which has not been thoroughly investigated yet. POPs have a characteristic multidomain three-dimensional architecture with the active site at the interface of the C-terminal catalytic domain and a β-propeller domain, whose N-terminal region acts as a bridge to the hydrolase domain. In the present contribution, protein dynamics signatures of a hyperthermophilic acylaminoacyl peptidase (AAP) of the prolyl oligopeptidase (POP) family, as well as of a deletion variant and alanine mutants (I12A, V13A, V16A, L19A, I20A) are reported. In particular, we aimed at identifying crucial residues for long range communications to the catalytic site or promoting the conformational changes to switch from closed to open ApAAP conformations. Our investigation shows that the N-terminal α1-helix mediates structural intramolecular communication to the catalytic site, concurring to the maintenance of a proper functional architecture of the catalytic triad. Main determinants of the effects induced by α1-helix are a subset of hydrophobic residues (V16, L19 and I20). Moreover, a subset of residues characterized by relevant interaction networks or coupled motions have been identified, which are likely to modulate the conformational properties at the interdomain interface.

  18. Tether-directed synthesis of highly substituted oxasilacycles via an intramolecular allylation employing allylsilanes

    Directory of Open Access Journals (Sweden)

    Cox Liam R

    2007-02-01

    Full Text Available Abstract Background Using a silyl tether to unite an aldehyde electrophile and allylsilane nucleophile into a single molecule allows a subsequent Lewis-acid-mediated allylation to proceed in an intramolecular sense and therefore receive all the benefits associated with such processes. However, with the ability to cleave the tether post allylation, a product that is the result of a net intermolecular reaction can be obtained. In the present study, four diastereoisomeric β-silyloxy-α-methyl aldehydes, which contain an allylsilane tethered through the β-carbinol centre, have been prepared, in order to probe how the relative configuration of the two stereogenic centres affects the efficiency and selectivity of the intramolecular allylation. Results Syn-aldehydes, syn-4a and syn-4b, both react poorly, affording all four possible diastereoisomeric oxasilacycle products. In contrast, the anti aldehydes anti-4a and anti-4b react analogously to substrates that lack substitution at the α-site, affording only two of the four possible allylation products. Conclusion The outcome of the reaction with anti-aldehydes is in accord with reaction proceeding through a chair-like transition state (T.S.. In these systems, the sense of 1,3-stereoinduction can be rationalised by the aldehyde electrophile adopting a pseudoaxial orientation, which will minimise dipole-dipole interactions in the T.S. The 1,4-stereoinduction in these substrates is modest and seems to be modulated by the R substituent in the starting material. In the case of the syn-substrates, cyclisation through a chair T.S. is unlikely as this would require the methyl substituent α to the reacting carbonyl group to adopt an unfavourable pseudoaxial position. It is therefore proposed that these substrates react through poorly-defined T.S.s and consequently exhibit essentially no stereoselectivity.

  19. Reaction Coordinate, Free Energy, and Rate of Intramolecular Proton Transfer in Human Carbonic Anhydrase II.

    Science.gov (United States)

    Paul, Sanjib; Paul, Tanmoy Kumar; Taraphder, Srabani

    2018-03-22

    The role of structure and dynamics of an enzyme has been investigated at three different stages of its function including the chemical event it catalyzes. A one-pot computational method has been designed for each of these stages on the basis of classical and/or quantum mechanical-molecular mechanical molecular dynamics and transition path sampling simulations. For a pair of initial and final states A and B separated by a high free-energy barrier, using a two-stage selection process, several collective variables (CVs) are identified that can delineate A and B. However, these CVs are found to exhibit strong cross-coupling over the transition paths. A set of mutually orthogonal order parameters is then derived from these CVs and an optimal reaction coordinate, r, determined applying half-trajectory likelihood maximization along with a Bayesian information criterion. The transition paths are also used to project the multidimensional free energy surface and barrier crossing dynamics along r. The proposed scheme has been applied to the rate-determining intramolecular proton transfer reaction of the well-known enzyme human carbonic anhydrase II. The potential of mean force, F( r), in the absence of the chemical step is found to reproduce earlier results on the equilibrium population of two side-chain orientations of key residue His-64. Estimation of rate constants, k, from mean first passage times for the three different stages of catalysis shows that the rate-determining step of intramolecular proton transfer occurs with k ≃ 1.0 × 10 6 s -1 , in close agreement with known experimental results.

  20. Structural and biochemical characterizations of an intramolecular tandem coiled coil protein.

    Science.gov (United States)

    Shin, Donghyuk; Kim, Gwanho; Kim, Gyuhee; Zheng, Xu; Kim, Yang-Gyun; Lee, Sangho

    2014-12-12

    Coiled coil has served as an excellent model system for studying protein folding and developing protein-based biomaterials. Most designed coiled coils function as oligomers, namely intermolecular coiled coils. However, less is known about structural and biochemical behavior of intramolecular coiled coils where coiled coil domains are covalently linked in one polypeptide. Here we prepare a protein which harbors three coiled coil domains with two short linkers, termed intramolecular tandem coiled coil (ITCC) and characterize its structural and biochemical behavior in solution. ITCC consists of three coiled coil domains whose sequences are derived from Coil-Ser and its domain swapped dimer. Modifications include positioning E (Glu) residue at "e" and K (Lys) at "g" positions throughout heptad repeats to enhance ionic interaction among its constituent coiled coil domains. Molecular modeling of ITCC suggests a compact triple helical bundle structure with the second and the third coiled coil domains forming a canonical coiled coil. ITCC exists as a mixture of monomeric and dimeric species in solution. Small-angle X-ray scattering reveals ellipsoidal molecular envelopes for both dimeric and monomeric ITCC in solution. The theoretically modeled structures of ITCC dock well into the envelopes of both species. Higher ionic strength shifts the equilibrium into monomer with apparently more compact structure while secondary structure remains unchanged. Taken together, our results suggest that our designed ITCC is predominantly monomeric structure through the enhanced ionic interactions, and its conformation is affected by the concentration of ionic species in the buffer. Copyright © 2014 Elsevier Inc. All rights reserved.