Benzoquinones and terphenyl compounds as phosphodiesterase-4B inhibitors from a fungus of the order Chaetothyriales (MSX 47445).

Science.gov (United States)

El-Elimat, Tamam; Figueroa, Mario; Raja, Huzefa A; Graf, Tyler N; Adcock, Audrey F; Kroll, David J; Day, Cynthia S; Wani, Mansukh C; Pearce, Cedric J; Oberlies, Nicholas H

2013-03-22

Three bioactive compounds were isolated from an organic extract of an ascomycete fungus of the order Chaetothyriales (MSX 47445) using bioactivity-directed fractionation as part of a search for anticancer leads from filamentous fungi. Of these, two were benzoquinones [betulinan A (1) and betulinan C (3)], and the third was a terphenyl compound, BTH-II0204-207:A (2). The structures were elucidated using a set of spectroscopic and spectrometric techniques; the structure of the new compound (3) was confirmed via single-crystal X-ray diffraction. Compounds 1-3 were evaluated for cytotoxicity against a human cancer cell panel, for antimicrobial activity against Staphylococcus aureus and Candida albicans, and for phosphodiesterase (PDE4B2) inhibitory activities. The putative binding mode of 1-3 with PDE4B2 was examined using a validated docking protocol, and the binding and enzyme inhibitory activities were correlated.

Supramolecular organization and chiral resolution of p-terphenyl-m-dicarbonitrile on the Ag(111) surface.

Science.gov (United States)

Marschall, Matthias; Reichert, Joachim; Seufert, Knud; Auwärter, Willi; Klappenberger, Florian; Weber-Bargioni, Alexander; Klyatskaya, Svetlana; Zoppellaro, Giorgio; Nefedov, Alexei; Strunskus, Thomas; Wöll, Christof; Ruben, Mario; Barth, Johannes V

2010-05-17

The supramolecular organization and layer formation of the non-linear, prochiral molecule [1, 1';4',1'']-terphenyl-3,3"-dicarbonitrile adsorbed on the Ag(111) surface is investigated by scanning tunneling microscopy (STM) and near-edge X-ray absorption fine-structure spectroscopy (NEXAFS). Upon two-dimensional confinement the molecules are deconvoluted in three stereoisomers, that is, two mirror-symmetric trans- and one cis-species. STM measurements reveal large and regular islands following room temperature deposition, whereby NEXAFS confirms a flat adsorption geometry with the electronic pi-system parallel to the surface plane. The ordering within the expressed supramolecular arrays reflects a substrate templating effect, steric constraints and the operation of weak lateral interactions mainly originating from the carbonitrile endgroups. High-resolution data at room temperature reveal enantiormorphic characteristics of the molecular packing schemes in different domains of the arrays, indicative of chiral resolution during the 2D molecular self-assembly process. At submonolayer coverage supramolecular islands coexist with a disordered fluid phase of highly mobile molecules. Following thermal quenching (down to 6 K) we find extended supramolecular ribbons stabilised again by attractive and directional noncovalent interactions, the formation of which reflects a chiral resolution of trans-species.

Pyrolytic Behaviour of the Commercial Terphenyl Mixtures. Propil OM1, OM2 and OMP; Comportamiento pirolitico de las mezclas terfenilicas comerciales. Progil OM1, OM2 y OMP

Energy Technology Data Exchange (ETDEWEB)

Barrera Pinero, R; Manero Rodriguez, J

1963-07-01

Statistic tests on the thermal stability of the three above mentioned materials and pure para-terphenyl, at temperatures ranging 400-470 degree centigrade, are described. Several conclusions are attained with respect to the kinetics of the pyrolysis decomposition, which was controlled according to the following steps: a) Gas evolution (hydrogen and hydrocarbons). B) Intermediate boiling compound formation, such as biphenyl, benzene.alkyl-benzenes, etc. c) high boiling compound evolution. d) Decreasing of starting material. In this way, comparative data en decomposition rate and activation energy of the pyrolysis phenomena are tabulated. (Author) 15 refs.

Polychlorinated terphenyl patterns and levels in selected marine mammals and a river fish from different continents.

Science.gov (United States)

Rosenfelder, Natalie; Vetter, Walter

2014-01-01

Polychlorinated terphenyls (PCTs) are a class of persistent organic pollutants which have been used from the 1920s to the 1980s for similar purposes as polychlorinated biphenyls (PCBs). Comparably little data was available on the PCT distribution in the environment mainly due to analytical difficulties in their determination. By means of a calculation algorithm recently developed we now studied the PCT pattern in individual marine mammal samples and one fish sample from different continents. Altogether, 97 PCTs were detected in eight samples and twelve to 66 tetra- to nonachloroterphenyl (tetra- to nonaCT) congeners were detected in individual samples. PCTs were present in all marine mammal samples which originated from four continents, but the PCT pattern was varied. TetraCTs were dominant in the sample from Africa, Australia, Spitsbergen (European Arctic) and in a sample from the Baltic Sea, heptaCTs in samples from the North Sea and octaCTs in a sample from Iceland. The abundance of sumPCTs relative to PCB 153, estimated from the GC/ECNI-MS response corrected for the degree of chlorination, ranged from 0.9 to 8.8%, corresponding with ~0.22-2.2% of the total PCB content. The highest PCT level detected was 980 mg/kg lipid in a harbour seal from the North Sea, Germany. The results from this study indicated that samples from certain areas, e.g. the North Sea may still be polluted with PCTs. © 2013.

Technological study of organic fluids; Etudes technologiques des fluides caloporteurs organique

Energy Technology Data Exchange (ETDEWEB)

Leveque, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1964-07-01

Under contract to EURATOM (MM. VAN der VENNE and HANNAERT), the C.E.A. and the Progil Society have collaborated on a technological study of the terphenyls. The results obtained from the radiolysis and pyrolysis of the product OM2 (70 p. 100 m-terphenyl, 25 p. 100 o-terphenyl, 5 p. 100 p-terphenyl) are reported. Using two pile loops at temperatures up to 450 deg. C, a phenomena of accelerated pyrolysis on the radiolized material has been demonstrated. Some by-products of the petroleum industry have also been studied, with a view to finding substitutes for terphenyl. (author) [French] Le C.E.A. et la Societe PROGIL ont entrepris en commun sous contrat EURATOM (MM. VAN der VENNE et HANNAERT) une etude technologique des terphenyles. Les resultats de radiolyse et de pyrolyse obtenus sur le produit OM2 (70 p. 100 m-terphenyle, 25 p. 100 o-terphenyle. 5 p. 100 de p-terphenyle) sont exposes. L'exploitation de deux boucles en pile jusqu'a des temperatures de 450 deg. C a mis en evidence un phenomene de pyrolyse acceleree sur le produit radiolyse. On a etudie egalement quelques sous-produits de l'industrie petroliere dans le but de trouver des substituts au terphenyle. (auteur)

Effects of trans-stilbene and terphenyl compounds on different strains of Leishmania and on cytokines production from infected macrophages.

Science.gov (United States)

Bruno, Federica; Castelli, Germano; Vitale, Fabrizio; Giacomini, Elisa; Roberti, Marinella; Colomba, Claudia; Cascio, Antonio; Tolomeo, Manlio

2018-01-01

Most of the antileishmanial modern therapies are not satisfactory due to high toxicity or emergence of resistance and high cost of treatment. Previously, we observed that two compounds of a small library of trans-stilbene and terphenyl derivatives, ST18 and TR4, presented the best activity and safety profiles against Leishmania infantum promastigotes and amastigotes. In the present study we evaluated the effects of ST18 and the TR4 in 6 different species of Leishmania and the modifications induced by these two compounds in the production of 8 different cytokines from infected macrophages. We observed that TR4 was potently active in all Leishmania species tested in the study showing a leishmanicidal activity higher than that of ST18 and meglumine antimoniate in the most of the species. Moreover, TR4 was able to decrease the levels of IL-10, a cytokine able to render the host macrophage inactive allowing the persistence of parasites inside its phagolysosome, and increase the levels of IL-1β, a cytokine important for host resistance to Leishmania infection by inducible iNOS-mediated production of NO, and IL-18, a cytokine implicated in the development of Th1-type immune response. Copyright © 2017 Elsevier Inc. All rights reserved.

Analysis the mixtures of polyphenyls by gas chromatrogaphie. 1.- Area response for biphenyl and terphenyls relative to triphenylmethane; Analisis de polifenilos por cromatografia de gases 1.- Respuesta relativa del bifenilo y terfenilos respecto al trifenilmetano

Energy Technology Data Exchange (ETDEWEB)

Perez Garcia, M

1966-07-01

The relative performances of the thermal conductivity and flame ionization detectors towards triphenylmethane were investigated for each one of the components of biphenyl of biphenyl and terphenyl mixtures. The influence of the concentration of the considered compound as well as the influence derived from the present of all other components on the above-mentioned relative performance were studied. A 2 m long column filled with 50-70 mesh stomacher containing 20% apiezon L was used to carry out the study with the thermal conductivity detector by keeping the column at 300 degree centigree using helium gas as carrier. (Author) 13 refs.

Exploring QSAR with E-state index: selectivity requirements for COX-2 versus COX-1 binding of terphenyl methyl sulfones and sulfonamides.

Science.gov (United States)

Chakraborty, Santanu; Sengupta, Chandana; Roy, Kunal

2004-09-20

An attempt has been made to explore selectivity requirements for cyclooxygenase-2 (COX-2) versus cyclooxygenase-1 (COX-1) binding of terphenyl methyl sulfones and sulfonamides using electrotopological state (E-state) index and suitable indicator parameters. Multiple linear regression analyses produced statistically acceptable equations: the best relation based on 'all-possible-subsets regression' for COX-1 binding (n=18) showed predicted variance and explained variance of 0.675 and 0.777, respectively, while in case of the best equation for COX-2 binding (n=38), these values rose to 0.842 and 0.874, respectively. For the selectivity relation (n=17), predicted variance and explained variance values were 0.601 and 0.687, respectively. Based on the results of the analyses, three important sites have been suggested: sites A (methylsulfonyl or aminosulfonyl moiety), B (central phenyl ring), and C (terminal phenyl ring containing different substituents). All three sites are important for COX-2 binding while sites B and C are important for COX-1 binding. For COX-2 selectivity, only site C plays an important role. The study shows the utility of E-state index in developing statistically acceptable model having direct physicochemical significance.

Pulse radiolysis study of the intermediates formed in ionic liquids. Intermediate spectra in the p-terphenyl solution in the ionic liquid methyltributylammonium bis[(trifluoromethyl)sulfonyl]imide

International Nuclear Information System (INIS)

Grodkowski, J.; Kocia, R.; Mirkowski, J.

2006-01-01

Room temperature ionic liquids (Il) are non-volatile,and non-flammable and serve as good solvents for various reactions, mainly for g reen processing . To understand the effect of these solvents on the chemical reactions, the rate constants of several elementary reactions in ionic liquids have been studied by the pulse radiolysis technique. In this study, the formation of intermediates derived from p-terphenyl (Tp) in the ionic liquid methyl tributylammonium bis[(trifluoromethyl)sulfonyl] imide (R 4 NNTf 2 ) solutions have been studied by pulse radiolysis as a part of broader studies concerning CO 2 reduction. The registered spectra can be explained by CO 2 reaction with solvated and dry electrons thus eliminating one path of TP ·- formation. Some TP ·- are formed by reaction of excited TP *- states with Tea. Direct reactions involving Tp, TP ·- , CO 2 and CO 2 ·- are too slow to be observed in pulse radiolysis time scale

Atropisomerism in a new type biphenyl and o-terphenyl condensed tannins. Atropisomerie in nuwe tipe bifeniel en o-terfeniel gekondenseerde tanniene

Energy Technology Data Exchange (ETDEWEB)

Young, E

1984-03-01

Chemical investigation of the core wood Prosopis glandulosa has revealed that it has a complex flavenoid content. The predominant phenolic component of the core wood is flavan-3-ol with a 3/sup ,/,4/sup ,/,7,8-tetrahydroxy phenolic substitute pattern. Apart from the isolation of 'conventionally' coupled biflavenoids based on electrophilic attack at the C/sub 4/-carbeniumion from flavan-3,4-diol on the nucleophilic positions of flavan-3-ols, a new 1-flavenyl-1,3-diarylpropan-2-ol as wel as a B-ring coupled flavenyl-2-benzoylbenzofuran was isolated. The uniqueness of this study lies in the identification of (5,6)-coupled and atropisomeric (5,5)-biflavenoids based on a biphenyl bond which was extended to the triflavenoid level with the identification of four (5,5:5,6)-0-terphenyl triflavenoidatropisomers. The /sup 1/H nmr spectra of the 5,5-dimers and (5,5:5,6)-trimers exhibit sharply defined spectra at room temperatures which suggests rigidity of structure at these temperatures. Further proof of atropisomerism at the (5,5)-coupled dimers was obtained by means of an isomerization experiment. At the (5,6)-coupled isomers, a dynamic equilibrium at the /sup 1/H nmr-spectra of the methyl etheracetate derivatives was observed. Synthesis of the optically pure (4,6)-biflavenoid with 3/sup ,/,4/sup ,/,7,8-tetrahydroxylation pattern was, conducted through reduction of (+-)-3/sup ,/,4,7,8-tetramethoxydihydroflavonol, condensation of it to the monomeric (+)-3/sup ,/,4/sup ,/,7,8-tetrahydroxyflavan-3-ol and subsequent separation of the diastereo-isomeric mixture.

Modular construction, magnetic property, and luminescent sensing of 3D Mn(II) and Cd(II) coordination polymers based on p-terphenyl-2,2″,5″,5‴-tetracarboxylate acid

Science.gov (United States)

Fan, Liming; Zhang, Yujuan; Wang, Jiang; Zhao, Li; Wang, Xiaoqing; Hu, Tuoping; Zhang, Xiutang

2018-04-01

Two 3D modular designed coordination polymers, namely, {[H2N(CH3)2]2[Mn(TPT)]}n (1), and {[Cd(TPT)0.5(bib)]·0.5H2O}n (2) (H4TPT = p-terphenyl-2,2″,5″,5‴-tetracarboxylate acid, and bib = 1,3-bis((imidazol-1-yl) benzene) have been synthesized and structural characterized by EA, IR, TG, PXRD. Single-crystal X-ray diffraction analyses reveal that complex 1 is a 3D 4-connected {42.63.8}-sra net with the tiling modular being [42.62.82] = [4a.4b.62.8a.8b] (transitivity is 2451). While complex 2 is a 3D (4,4)-connected {64.82}{66}2-bbf net with tiling modular is [6.82]+[63.8] = [6 c.8a.8b]+[6a.6b.6 c.8a] (transitivity is 2352). The variable-temperature susceptibility of 1 has been investigated. Besides, complex 2 exhibits highly sensitive sensing of FeIII ions in DMF solution.

A highly luminescent dinuclear Eu(III) complex based on 4,4'-bis (4'',4'',4''-trifluoro-1'',3''-dioxobutyl)-o-terphenyl for light-emitting diodes

International Nuclear Information System (INIS)

Liu Shenggui; He Pei; Wang Huihui; Shi Jianxin; Gong Menglian

2009-01-01

A dinuclear Eu(III) complex Eu 2 (btbt) 3 .4H 2 O.CH 3 CH 2 OH.N(CH 2 CH 3 ) 3 was synthesized, where H 2 (btbt) was 4,4'-bis (4'',4'',4'',-trifluoro-1'',3''-dioxobutyl)-o-terphenyl. The composition and structure of the complex were characterized by elemental analysis, IR, UV-vis and FAB-MS spectroscopy. The complex emits the characteristic red luminescence of Eu 3+ ion due to the 5 D 0 → 7 F J (J = 0-4) transitions under ∼395 nm-light excitation with good luminescent quantum efficiency (32%) and exhibits high thermal stability (337 deg. C). Bright red light-emitting diodes (LEDs) were fabricated by coating the complex onto a ∼395 nm-emitting InGaN chip. When the mass ratio of the red phosphor to the silicone is 1:30, the efficiency of the fabricated LEDs with the europium complex is 0.98 lm w -1 . The CIE chromaticity coordinates of the LEDs are x = 0.6057 and y = 0.3137, which are close to the National Television Standard Committee (NTSC) standard values for red color. The results indicate that the complex may act as a red component in the fabrication of near UV InGaN-based white light-emitting diodes with high color-rendering index.

Triplet State Resonance Raman Spectroscopy

DEFF Research Database (Denmark)

Wilbrandt, Robert Walter; Jensen, N. H.; Pagsberg, Palle Bjørn

1978-01-01

Makes the first report on the resonance Raman spectrum of a molecule in its triplet state generated by pulse radiolysis. A solution of 0.01 mol dm-3 of p-terphenyl in benzene was studied......Makes the first report on the resonance Raman spectrum of a molecule in its triplet state generated by pulse radiolysis. A solution of 0.01 mol dm-3 of p-terphenyl in benzene was studied...

Comparative characteristics of polystyrene scintillation strips

International Nuclear Information System (INIS)

Gapienko, V.A.; Denisov, A.G.; Mel'nikov, E.A.

1992-01-01

Results are provided for a study of the main characteristics of polystyrene scintillation strips with a cross-section of 200 x 10 mm with two different scintillation-additive compositions: 1.5% p-terphenyl + 0.01% POPOP and 1.5% p-terphenyl + 0.01% DBP. The mean light-attenuation lengths are 180 cm and 260 cm, respectively, for strips with POPOP and DBP. The emittances of the polystyrene scintillators with DBP and POPOP additives have a ratio of 0.8:1.0 as recorded by an FEU-110 photomultiplier. 2 refs., 1 fig., 2 tabs

A highly luminescent dinuclear Eu(III) complex based on 4,4'-bis (4'',4'',4''-trifluoro-1'',3''-dioxobutyl)-o-terphenyl for light-emitting diodes

Energy Technology Data Exchange (ETDEWEB)

Liu Shenggui [State Key Laboratory of Optoelectronic Materials and Technologies, Ministry of Education Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275 (China); School of Chemistry Science and Technology, Zhanjiang Normal University, New Materials Engineering and Technology Development Center of University in Guangdong, Zhanjiang 524048 (China); He Pei; Wang Huihui; Shi Jianxin [State Key Laboratory of Optoelectronic Materials and Technologies, Ministry of Education Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275 (China); Gong Menglian, E-mail: cesgml@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, Ministry of Education Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275 (China)

2009-08-15

A dinuclear Eu(III) complex Eu{sub 2}(btbt){sub 3}.4H{sub 2}O.CH{sub 3}CH{sub 2}OH.N(CH{sub 2}CH{sub 3}){sub 3} was synthesized, where H{sub 2}(btbt) was 4,4'-bis (4'',4'',4'',-trifluoro-1'',3''-dioxobutyl)-o-terphenyl. The composition and structure of the complex were characterized by elemental analysis, IR, UV-vis and FAB-MS spectroscopy. The complex emits the characteristic red luminescence of Eu{sup 3+} ion due to the {sup 5}D{sub 0} {yields} {sup 7}F{sub J} (J = 0-4) transitions under {approx}395 nm-light excitation with good luminescent quantum efficiency (32%) and exhibits high thermal stability (337 deg. C). Bright red light-emitting diodes (LEDs) were fabricated by coating the complex onto a {approx}395 nm-emitting InGaN chip. When the mass ratio of the red phosphor to the silicone is 1:30, the efficiency of the fabricated LEDs with the europium complex is 0.98 lm w{sup -1}. The CIE chromaticity coordinates of the LEDs are x = 0.6057 and y = 0.3137, which are close to the National Television Standard Committee (NTSC) standard values for red color. The results indicate that the complex may act as a red component in the fabrication of near UV InGaN-based white light-emitting diodes with high color-rendering index.

Crystallization dynamics in glass-forming systems

Energy Technology Data Exchange (ETDEWEB)

Cullinan, Timothy Edward [Iowa State Univ., Ames, IA (United States)

2016-02-19

Crystallization under far-from-equilibrium conditions is investigated for two different scenarios: crystallization of the metallic glass alloy Cu₅₀Zr₅₀ and solidification of a transparent organic compound, o-terphenyl. For Cu₅₀Zr₅₀, crystallization kinetics are quanti ed through a new procedure that directly fits thermal analysis data to the commonly utilized JMAK model. The phase evolution during crystallization is quantified through in-situ measurements (HEXRD, DSC) and ex-situ microstructural analysis (TEM, HRTEM). The influence of chemical partitioning, diffusion, and crystallographic orientation on this sequence are examined. For o-terphenyl, the relationship between crystal growth velocity and interface undercooling is systematically studied via directional solidification.

High-Z organic-scintillation solution

International Nuclear Information System (INIS)

Berlman, I.B.; Fluornoy, J.M.; Ashford, C.B.; Lyons, P.B.

1983-01-01

In the present experiment, an attempt is made to raise the average Z of a scintillation solution with as little attendant quenching as possible. Since high-Z atoms quench by means of a close encounter, such encounters are minimized by the use of alkyl groups substituted on the solvent, solute, and heavy atoms. The aromatic compound 1,2,4-trimethylbenzene (pseudocumene) is used as the solvent; 4,4''-di(5-tridecyl)-p-terphenyl (SC-180) as the solute; and tetrabutyltin as the high-Z material. To establish the validity of our ideas, various experiments have been performed with less protected solvents, and heavy atoms. These include benzene, toluene, p-terphenyl, bromobutane, and bromobenzene

Implicit and explicit host effects on excitons in pentacene derivatives

Science.gov (United States)

Charlton, R. J.; Fogarty, R. M.; Bogatko, S.; Zuehlsdorff, T. J.; Hine, N. D. M.; Heeney, M.; Horsfield, A. P.; Haynes, P. D.

2018-03-01

An ab initio study of the effects of implicit and explicit hosts on the excited state properties of pentacene and its nitrogen-based derivatives has been performed using ground state density functional theory (DFT), time-dependent DFT, and ΔSCF. We observe a significant solvatochromic redshift in the excitation energy of the lowest singlet state (S1) of pentacene from inclusion in a p-terphenyl host compared to vacuum; for an explicit host consisting of six nearest neighbour p-terphenyls, we obtain a redshift of 65 meV while a conductor-like polarisable continuum model (CPCM) yields a 78 meV redshift. Comparison is made between the excitonic properties of pentacene and four of its nitrogen-based analogs, 1,8-, 2,9-, 5,12-, and 6,13-diazapentacene with the latter found to be the most distinct due to local distortions in the ground state electronic structure. We observe that a CPCM is insufficient to fully understand the impact of the host due to the presence of a mild charge-transfer (CT) coupling between the chromophore and neighbouring p-terphenyls, a phenomenon which can only be captured using an explicit model. The strength of this CT interaction increases as the nitrogens are brought closer to the central acene ring of pentacene.

Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands

International Nuclear Information System (INIS)

Wang, Chao; Zhao, Jun; Xia, Liang; Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan

2016-01-01

Three new coordination polymers, namely, {[Ni(H 2 L)(bix)(H 2 O) 2 ]·2h 2 O} n (1), {[Ni(HL)(Hdpa)(H 2 O) 2 ]·H 2 O} n (2), {[Ni(L) 0.5 (bpp)(H 2 O)]·H 2 O} n (3) (H 4 L=terphenyl-2,2′,4,4′-tetracarboxylic acid; bix=1,4-bis(imidazol-1-ylmethyl)benzene; dpa =4,4′-dipyridylamine; bpp=1,3-bis(4-pyridyl)propane), based on rigid H 4 L ligand and different N-donor co-ligands, have been synthesized under hydrothermal conditions. Compound 1 features a 3D 4-connected 6 6 -dia-type framework with H 4 L ligand adopts a μ 2 -bridging mode with two symmetry-related carboxylate groups in μ 1 -η 1 :η 0 monodentate mode. Compound 2 displays a 1D [Ni(HL)(Hdpa)] n ribbon chains motif, in which the H 4 L ligand adopts a μ 2 -bridging mode with two carboxylate groups in μ 1 -η 1 :η 1 and μ 1 -η 1 :η 0 monodentate modes, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology, with H 4 L ligand displays a μ 4 -bridging coordination mode. The H 4 L ligand displays not only different deprotonated forms but also diverse coordination modes and conformations. The structural diversities among 1–3 have been carefully discussed, and the roles of N-donor co-ligands in the self-assembly of coordination polymers have been well documented. - Graphical abstract: Three nickel coordination polymers with different architectures based on mixed ligand system were synthesized and structurally characterized. Topology analyses indicate that 1 shows the 4-connected 6 6 -dia net, 1D ribbon chains for 2 and 3D (4,4)-connected bbf network for 3. Display Omitted - Highlights: • Three Ni-based coordination polymers with distinct features have been prepared. • Compound 1 features a 3D 4-connected 66-dia-type framework, 2 displays a 1D [Ni(HL)(Hdpa)] n ribbon chains motif, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology. • The “mixed ligand assembled” strategy is significant potential for network design.

Heat transfer with organic fluids; Transferts de chaleur par liquides organiques

Energy Technology Data Exchange (ETDEWEB)

Lanza, F [Association Euratom-CEA, Centre d' Etudes de Grenoble, 38 (France). Dept. de Recherches sur la Fusion Controlee; Ricque, R; Villeneuve, J P [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1964-07-01

Using a test channel with a circular cross-section of 12 mm internal diameter the following heat transfer correlation, valid to about {+-} 6 p. 100, was determined for the terphenyls OMP and OM2 with 0, 10, 20 or 30 p. 100 of high polymers: Nu{sub b} = 0.00835 Re{sub b}{sup 0.9} Pr{sub L}{sup 0.4}. This correlation was established with fluxes ranging from 50 to 100 W/cm{sup 2}, temperatures from 290 to 420 C and Reynolds number from 30 000 to 350 000. 8 long-term tests were carried out (250 to 1000 hours continuous running) to determine how deposition on the heating surfaces affects the exchange coefficient. The loops is made of stainless steel except for one part in soft steel. No deposits are observed even if the terphenyl contains 30 ppm of chlorure, while on the other hand deposition is appreciable when heavy substances containing combined oxygen are added. (authors) [French] On a determine sur un canal d'essai de section circulaire de 12 mm de diametre interieur, la correlation de transfert de chaleur suivante valable a {+-} 6 p.100 pres pour les terphenyles OMP et OM2 avec 0, 10, 20 ou 30 p. 100 de haute polymeres Nu{sub b} = 0,00835 Re{sub b}{sup 0.9} Pr{sub L}{sup 0.4}. Cette correlation a ete etablie dans une gamme de flux de 50 a 100 W/cm{sup 2}, de temperature de 290 a 420 C, de Reynolds de 30 000 a 350 000. On a effectue 8 essais de longue duree (250 a 1 000 heures en regime continu) pour determiner l'effet sur le coefficient d'echange de l'encrassement des surfaces chauffantes. La boucle est en acier inoxydable sauf une partie en acier doux; on n'observe aucun encrassement meme si le terphenyle contient 30 ppm de chlore; par contre l'encrassement est sensible quand on ajoute des produits lourds contenant de l'oxygene combine. (auteurs)

Systematic design and research on a series of cadmium coordination polymers assembled due to tetracarboxylate ligands

Energy Technology Data Exchange (ETDEWEB)

Lü, Lei; Mu, Bao; Li, Chang-Xia; Huang, Ru-Dan, E-mail: huangrd@bit.edu.cn

2016-02-15

A series of metal-organic frameworks (MOFs) have been prepared by tetracarboxylate ligands and Cd(II) ions under the hydrothermal or solvothermal conditions with the formulas of {[Cd_2(L_1)(H_2O)_4]·H_2O}{sub n} (1), {[(CH_3)_2NH_2]_2[Cd(L_1)]}{sub n} (2), [Cd(L{sub 2}){sub 0.5}(H{sub 2}O)]{sub n} (3), {[(CH_3)_2NH_2]_2 [Cd(L_2)]·2DMF}{sub n} (4), [Cd(L{sub 3}){sub 0.5}(H{sub 2}O)]{sub n} (5), {[Cd(L_3)_0_._5(H_2O)]·CH_3OH}{sub n} (6), {[(CH_3)_2NH_2]_2[Cd_3(L_4)_2]}{sub n} (7) (H{sub 4}L{sub 1}=[1,1′:4′,1″-terphenyl]-2,2″,5,5″-tetracarboxylic acid; H{sub 4}L{sub 2}=[1,1′:4′,1″-terphenyl]-2′,4,4″,5′-tetracarboxylic acid; H{sub 4}L{sub 3}=[1,1′:3′,1″-terphenyl]-2′,3,3″,5′-tetracarboxylic acid; H{sub 4}L{sub 4}=[1,1′:4′,1″-terphenyl]-3,3″,5,5″-tetracarboxylic acid), which are characterized by single-crystal X-ray diffraction, elemental analyses, IR, TGA and PXRD. Complex 1 exhibits a three-dimensional (3D) supramolecular framework based on two-dimensional (2D) coordination networks. Complexes 2 and 4 possess 3D framework based on the 1D right-handed helix channels. Complexes 3 and 7 are a 3D architecture containing two different channels. Isostructural complexes 5 and 6 display 3D framework. The different synthetic methods and coordination modes of the tetracarboxylates ligands have effect on formation of various MOFs. Moreover, the luminescent properties and N{sub 2} adsorption behaviors have been reported. - Graphical abstract: A series of cadmium(II) high-dimensional coordination polymers constructed from four different kinds of tetracarboxylate ligands have been successfully prepared under hydrothermal or solvothermal conditions. The effect of solvents, the coordination modes of the tetracarboxylates and positions of carboxylate groups on the architectures of complexes 1–7 have been investigated in detail. The luminescent properties of the part of complexes, N{sub 2} adsorption behaviors of complexes 2, 4–7 have

Formation of polycyclic aromatic hydrocarbons by ionizing radiations

International Nuclear Information System (INIS)

Perez, G.; Lilia, E.; Cristalli, A.

1986-01-01

Gaseous 0-terphenyl, 1-phenylnaphthalene, and 9-phenylanthracene were submitted to gamma rays. The yields of cyclization products, polycyclic aromatic hydrocarbons, show that at least one twentieth of the intermediates formed undergo intramolecular reaction. (author)

Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands

Energy Technology Data Exchange (ETDEWEB)

Wang, Chao [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); Zhao, Jun, E-mail: junzhao08@126.com [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Xia, Liang [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China)

2016-06-15

Three new coordination polymers, namely, {[Ni(H_2L)(bix)(H_2O)_2]·2h_2O}{sub n} (1), {[Ni(HL)(Hdpa)(H_2O)_2]·H_2O}{sub n} (2), {[Ni(L)_0_._5(bpp)(H_2O)]·H_2O}{sub n} (3) (H{sub 4}L=terphenyl-2,2′,4,4′-tetracarboxylic acid; bix=1,4-bis(imidazol-1-ylmethyl)benzene; dpa =4,4′-dipyridylamine; bpp=1,3-bis(4-pyridyl)propane), based on rigid H{sub 4}L ligand and different N-donor co-ligands, have been synthesized under hydrothermal conditions. Compound 1 features a 3D 4-connected 6{sup 6}-dia-type framework with H{sub 4}L ligand adopts a μ{sub 2}-bridging mode with two symmetry-related carboxylate groups in μ{sub 1}-η{sup 1}:η{sup 0} monodentate mode. Compound 2 displays a 1D [Ni(HL)(Hdpa)]{sub n} ribbon chains motif, in which the H{sub 4}L ligand adopts a μ{sub 2}-bridging mode with two carboxylate groups in μ{sub 1}-η{sup 1}:η{sup 1} and μ{sub 1}-η{sup 1}:η{sup 0} monodentate modes, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology, with H{sub 4}L ligand displays a μ{sub 4}-bridging coordination mode. The H{sub 4}L ligand displays not only different deprotonated forms but also diverse coordination modes and conformations. The structural diversities among 1–3 have been carefully discussed, and the roles of N-donor co-ligands in the self-assembly of coordination polymers have been well documented. - Graphical abstract: Three nickel coordination polymers with different architectures based on mixed ligand system were synthesized and structurally characterized. Topology analyses indicate that 1 shows the 4-connected 6{sup 6}-dia net, 1D ribbon chains for 2 and 3D (4,4)-connected bbf network for 3. Display Omitted - Highlights: • Three Ni-based coordination polymers with distinct features have been prepared. • Compound 1 features a 3D 4-connected 66-dia-type framework, 2 displays a 1D [Ni(HL)(Hdpa)]{sub n} ribbon chains motif, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology. • The “mixed ligand assembled�

Reassembling and testing of a high-precision heat capacity drop calorimeter. Heat capacity of some polyphenyls at T = 298.15 K

Energy Technology Data Exchange (ETDEWEB)

Santos, Luis M.N.B.F., E-mail: lbsantos@fc.up.pt [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Rocha, Marisa A.A.; Rodrigues, Ana S.M.C. [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Stejfa, Vojtech; Fulem, Michal [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, CZ-166 28 Prague 6 (Czech Republic); Bastos, Margarida [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal)

2011-12-15

Graphical abstract: Highlights: > We present the reassembling, improvement and testing of a high-precision C{sub p} drop calorimeter. > The apparatus was tested, using benzoic acid and hexafluorobenzene. > The high sensitivity of the apparatus is comparable to the one obtained in adiabatic calorimetry. > Heat capacities at T = 298.15 K of some polyphenyls were measured. > Subtle heat capacity differences among position isomers (ortho, meta, para) were detected. - Abstract: The description of the reassembling and testing of a twin heat conduction, high-precision, drop microcalorimeter for the measurement of heat capacities of small samples are presented. The apparatus, originally developed and used at the Thermochemistry Laboratory, Lund, Sweden, has now been reassembled and modernized, with changes being made as regarding temperature sensors, electronics and data acquisition system. The apparatus was thereafter thoroughly tested, using benzoic acid and hexafluorobenzene as test substances. The accuracy of the C{sub p,m}{sup 0} (298.15 K) data obtained with this apparatus is comparable to that achieved by high-precision adiabatic calorimetry. Here we also present the results of heat capacity measurements on of some polyphenyls (1,2,3-triphenylbenzene, 1,3,5-triphenylbenzene, p-terphenyl, m-terphenyl, o-terphenyl, p-quaterphenyl) at T = 298.15 K, measured with the renewed high precision heat capacity drop calorimeter system. The high resolution and accuracy of the obtained heat capacity data enabled differentiation among the ortho-, meta-, and para-phenyl isomers.

Proton polarization in photo-excited aromatic molecule at room temperature enhanced by intense optical source and temperature control

Energy Technology Data Exchange (ETDEWEB)

Sakaguchi, S., E-mail: sakaguchi@phys.kyushu-u.ac.jp [Department of Physics, Kyushu University, Fukuoka 812-8581 (Japan); Uesaka, T. [RIKEN Nishina Center, Saitama 351-0198 (Japan); Kawahara, T. [Department of Physics, Toho University, Chiba 274-8510 (Japan); Ogawa, T. [RIKEN Advanced Science Institute, Saitama 351-0198 (Japan); Tang, L. [Center for Nuclear Study, University of Tokyo, Tokyo 113-0001 (Japan); Teranishi, T. [Department of Physics, Kyushu University, Fukuoka 812-8581 (Japan); Urata, Y.; Wada, S. [RIKEN Advanced Science Institute, Saitama 351-0198 (Japan); Wakui, T. [Cyclotron and Radioisotope Center (CYRIC), Tohoku University, Miyagi 980-8578 (Japan)

2013-12-15

Highlights: • Proton polarization in p-terphenyl at room-temperature is enhanced by a factor of 3. • Intense laser and temperature control are critically important for high polarization. • Optimization of time structure of laser pulse is effective for further improvement. -- Abstract: Proton polarization at room temperature, produced in a p-terphenyl crystal by using electron population difference in a photo-excited triplet state of pentacene, was enhanced by utilizing an intense laser with an average power of 1.5 W. It was shown that keeping the sample temperature below 300 K is critically important to prevent the rise of the spin–lattice relaxation rate caused by the laser heating. It is also reported that the magnitude of proton polarization strongly depends on the time structure of the laser pulse such as its width and the time interval between them.

CMS Hadronic EndCap Calorimeter Upgrade R&D Studies

CERN Document Server

Akgun, Ugur; Onel, Yasar

2012-01-01

Due to an expected increase in radiation damage in LHC, we propose to replace the active material of the CMS Hadronic EndCap calorimeters with radiation hard quartz plate. Quartz is proven to be radiation hard with radiation damage tests using electron, proton, neutron and gamma beams. However, the light produced in quartz is from Cerenkov process, which yields drastically fewer photons than scintillators. To increase the light collection efficiency we pursue two separate methods: First method: use wavelength shifting (WLS) fibers, which have been shown to collect efficiently the Cerenkov light generated in quartz plates. A quartz plate calorimeter prototype with WLS fibers has been constructed and tested at CERN that shows this method is feasible. Second proposed solution is to treat the quartz plates with radiation hard wavelength shifters, p-terphenyl, doped zinc oxide, or doped CdS. Another calorimeter prototype has been constructed with p-terphenyl deposited quartz plates, and showed superior calorimeter...

Application of white beam synchrotron radiation topography to the analysis of twins

International Nuclear Information System (INIS)

Yao, G.D.; Dudley, M.; Hou, S.Y.; DiSalvo, R.

1991-01-01

White beam synchrotron X-ray topography (WBSXRT) has been used to characterize room temperature twinning structures in lanthanum gallate and p-terphenyl single crystals. Both Laue and Bragg geometries are utilized to reveal the nature of twinning in LaGaO 3 . The geometric relationships between the twin related domains and the directions of the corresponding diffracted beams are used to establish the presence of reflection twins on (1anti 12) orth , (1anti 1anti 2) orth and (1anti 10) orth planes. Also described is the application of WBSXRT to reveal the twin law in the solution grown organic crystal p-terphenyl. The active twin plane was unambiguously determined to be (201) by determination of the orientation relationship between parent and twinned structures through Laue pattern analysis. Twin lamellae with the same twin plane were also observed. For both materials, no radiation damage was observed throughout the experiments. These results demonstrate the usefulness of WBSXRT for the study of twins. (orig.)

Application of white beam synchrotron radiation topography to the analysis of twins

Science.gov (United States)

Yao, G.-D.; Dudley, M.; Hou, S.-Y.; DiSalvo, R.

1991-05-01

White beam synchrotron X-ray topography (WBSXRT) has been used to characterize room temperature twinning structures in lanthanum gallate and P-terphenyl single crystals. Both Laue and Bragg geometries are utilized to reveal the nature of twinning in LaGaO 3. The geometric relationships between the twin related domains and the directions of the corresponding diffracted beams are used to establish the presence of reflection twins on (11¯2) orth, (11¯2¯) orth and (11¯0) orth planes. Also described is the application of WBSXRT to reveal the twin law in the solution grown organic crystal p-terphenyl. The active twin plane was unambiguously determined to be (201) by determination of the orientation relationship between parent and twinned structures through Laue pattern analysis. Twin lamellae with the same twin plane were also observed. For both materials, no radiation damage was observed throughout the experiments. These results demonstrate the usefulness of WBSXRT for the study of twins.

Application of white beam synchrotron radiation topography to the analysis of twins

Energy Technology Data Exchange (ETDEWEB)

Yao, G.D.; Dudley, M.; Hou, S.Y.; DiSalvo, R. (Dept. of Materials Science and Engineering, SUNY, Stony Brook, NY (USA))

1991-05-01

White beam synchrotron X-ray topography (WBSXRT) has been used to characterize room temperature twinning structures in lanthanum gallate and p-terphenyl single crystals. Both Laue and Bragg geometries are utilized to reveal the nature of twinning in LaGaO{sub 3}. The geometric relationships between the twin related domains and the directions of the corresponding diffracted beams are used to establish the presence of reflection twins on (1anti 12){sub orth}, (1anti 1anti 2){sub orth} and (1anti 10){sub orth} planes. Also described is the application of WBSXRT to reveal the twin law in the solution grown organic crystal p-terphenyl. The active twin plane was unambiguously determined to be (201) by determination of the orientation relationship between parent and twinned structures through Laue pattern analysis. Twin lamellae with the same twin plane were also observed. For both materials, no radiation damage was observed throughout the experiments. These results demonstrate the usefulness of WBSXRT for the study of twins. (orig.).

Comparison between some determination methods of residual styrene in plastic scintillators

International Nuclear Information System (INIS)

Bezuglyi, V.D.; Ponomarev, Yu.P.; Gunder, O.A.; Biteman, V.B.; Senchishin, V.G.

1988-01-01

Scintillators made of plastic materials based on polystyrene with addition of p-terphenyl and 1,4-di-[(2,5-phenyl)oxazolyl] benzene have found wide application principally in the detection of radioactivity. The stability of the scintillating characteristics of these materials depends to great degree on the concentration of the residual monomer and for this reason it is important to have a sufficiently convenient method for the determination of this latter. We investigated the bromometric and acid-base titration methods with visual and potentiometric titration end point detection. We also examined the polarographic methods, direct and indirect, using the electroreduction of the mercury acetate complex of the monomer. We checked the methods on a scintillator sample and on synthetic mixtures, i.e., mixtures of monomer, polymer, and p-terphenyl. We compared the determination results for styrene and showed that the most accurate procedure is the bromometric determination with potentiometric indication of the end-point

Metallic Contact Formation for Molecular Electronics : Interactions between Vapor-Deposited Metals and Self-Assembled Monolayers of Conjugated Mono- and Dithiols

NARCIS (Netherlands)

Boer, Bert de; Frank, Martin M.; Chabal, Yves J.; Jiang, Weirong; Garfunkel, Eric; Bao, Zhenan

2004-01-01

We present grazing-incidence Fourier transform infrared and AFM data of Au, Al, and Ti vapor-deposited onto self-assembled monolayers (SAMs) of conjugated mono- and dithiols. SAMs of 4,4'''-dimercapto-p-quaterphenyl, 4,4''-dimercapto-p-terphenyl, and 4,4'-dimercapto-p-biphenyl have reactive thiols

Separation of fission products by the use of recoil; Separation des produits de fission par utilisation du recul

Energy Technology Data Exchange (ETDEWEB)

Henry, R; Beydon, J; Bardy, A [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

1960-07-01

We have studied fission recoil in U{sub 3}O{sub 8} organic solvent mixtures. The organic phase chosen was first naphtalene then terphenyl. Graphite and activated carbon were also tried out as recoil media. We first verified that the fission fragments are ejected from the uranium oxide particles under our experimental conditions. The retention phenomenon observed is due to an adsorption occurring either during irradiation or during the chemical treatment. Using naphthalene or terphenyl, the individual separation of the fission products has made it possible to show the influence of the chemical nature of the recoil medium on the retention of each fission product. We put forward a hypothesis concerning this phenomenon: experiments carried out using 'scavengers', together with kinetic studies make it possible to explain the retention phenomenon and to choose the most favorable conditions for reducing this retention to a low value. The thermal recombination kinetics demonstrate the influence of the fission ion charge on the final value of the retention for a given temperature. The origins of this thermal recombination are discussed. (author) [French] On a etudie le recul de fission dans les melanges U{sub 3}0{sub 8}, phase organique. La phase organique choisie a ete le naphtalene puis le terphenyle. Le graphite et le charbon actif ont egalement ete essayes comme milieux de recul. On a d'abord determine que les fragments de fission sortent des particules d'oxyde d'uranium avec un rendement de 100 pour cent dans nos conditions experimentales. Le phenomene de retention observe est du a une adsorption ayant lieu pendant l'irradiation ou pendant le traitement chimique. Dans le naphtalene et le terphenyle, la separation individuelle des produits de fission a permis de mettre en evidence l'influence de la nature chimique du milieu de recul sur la retention de chaque produit de fission. On avance une hypothese sur ce phenomene: des experiences effectuees avec des 'scavengers

Fast Resonance Raman Spectroscopy of Short-Lived Radicals

DEFF Research Database (Denmark)

Pagsberg, Palle Bjørn; Wilbrandt, Robert Walter; Hansen, Karina Benthin

1976-01-01

We report the first application of pulsed resonance Raman spectroscopy to the study of short-lived free radicals produced by pulse radiolysis. A single pulse from a flash-lamp pumped tunable dye laser is used to excite the resonance Raman spectrum of the p-terphenyl anion radical with an initial...

Transition voltages respond to synthetic reorientation of embedded dipoles in self-assembled monolayers

NARCIS (Netherlands)

Kovalchuk, Andrii; Abu-Husein, Tarek; Fracasso, Davide; Egger, David A.; Zojer, Egbert; Zharnikov, Michael; Terfort, Andreas; Chiechi, Ryan C.

2016-01-01

We studied the influence of embedded dipole moments in self-assembled monolayers (SAMs) formed on template stripped Au surfaces with liquid eutectic Ga-In alloy as a top electrode. We designed three molecules based on a p-terphenyl structure in which the central aromatic ring is either phenyl or a

Bioenvironmental Engineer’s Guide to TVA-1000B Toxic Vapor Analyzer

Science.gov (United States)

2014-01-01

Dichloroethene 9.66 Freon 11 (trichlorofluoromethane) 11.77 Dibromomethane 10.49 E Freon 112 (1,1,2,2- tetrachloro-1,2- difluoroethane ) 11.30...Terphenyls 7.78 Pheneloic 8.18 1,1,2,2-Tetrachloro-1,2- difluoroethane (Freon 112) 11.30 Phenol 8.50 1,1,1-Trichloroethane 11.00 Phenyl ether

Synthesis of a new scintillator 2-phenyl-5(4-p-terphenylyl)Oxazole

International Nuclear Information System (INIS)

Dhane, D.L.; Gaiki, G.M.

1979-01-01

Friedel-Crafts reaction between hippuryl chloride and p-terphenyl gave benzoylaminomethyl-(4-p-terphenylyl) ketone (II) which on cyclodehydration gave hitherto unreported 2-phenyl-5-(4-p-terphenylyl) oxazole (I). IR, UV absorption and fluorescence spectra of I have been recorded. The performance of I as a scintillator solute has been tested. (auth.)

Lactic acid derivatives with terphenyl molecular core

Czech Academy of Sciences Publication Activity Database

Novotná, Vladimíra; Hamplová, Věra; Sasnouski, G.; Salamon, P.

2016-01-01

Roč. 43, č. 9 (2016), 1251-1258 ISSN 0267-8292 R&D Projects: GA ČR GA16-12150S; GA MŠk(CZ) LD14007; GA ČR GA15-02843S Grant - others:EU(XE) ICT COST Action IC1208 Institutional support: RVO:68378271 Keywords : liquid crystals Subject RIV: JJ - Other Materials Impact factor: 2.661, year: 2016

Functionalized organic semiconductor molecules to enhance charge carrier injection in electroluminescent cell

Science.gov (United States)

Yalcin, Eyyup; Kara, Duygu Akin; Karakaya, Caner; Yigit, Mesude Zeliha; Havare, Ali Kemal; Can, Mustafa; Tozlu, Cem; Demic, Serafettin; Kus, Mahmut; Aboulouard, Abdelkhalk

2017-07-01

Organic semiconductor (OSC) materials as a charge carrier interface play an important role to improve the device performance of organic electroluminescent cells. In this study, 4,4″-bis(diphenyl amino)-1,1':3‧,1″-terphenyl-5'-carboxylic acid (TPA) and 4,4″-di-9H-carbazol-9-yl-1,1':3‧,1″-terphenyl-5'-carboxylic acid (CAR) has been designed and synthesized to modify indium tin oxide (ITO) layer as interface. Bare ITO and PEDOT:PSS coated on ITO was used as reference anode electrodes for comparison. Furthermore, PEDOT:PSS coated over CAR/ITO and TPA/ITO to observe stability of OSC molecules and to completely cover the ITO surface. Electrical, optical and surface characterizations were performed for each device. Almost all modified devices showed around 36% decrease at the turn on voltage with respect to bare ITO. The current density of bare ITO, ITO/CAR and ITO/TPA were measured as 288, 1525 and 1869 A/m2, respectively. By increasing current density, luminance of modified devices showed much better performance with respect to unmodified devices.

Aromatic hydrocarbons

International Nuclear Information System (INIS)

Roder, M.

1985-01-01

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

Continuous-wave room-temperature diamond maser

Science.gov (United States)

Breeze, Jonathan D.; Salvadori, Enrico; Sathian, Juna; Alford, Neil Mcn.; Kay, Christopher W. M.

2018-03-01

The maser—the microwave progenitor of the optical laser—has been confined to relative obscurity owing to its reliance on cryogenic refrigeration and high-vacuum systems. Despite this, it has found application in deep-space communications and radio astronomy owing to its unparalleled performance as a low-noise amplifier and oscillator. The recent demonstration of a room-temperature solid-state maser that utilizes polarized electron populations within the triplet states of photo-excited pentacene molecules in a p-terphenyl host paves the way for a new class of maser. However, p-terphenyl has poor thermal and mechanical properties, and the decay rates of the triplet sublevel of pentacene mean that only pulsed maser operation has been observed in this system. Alternative materials are therefore required to achieve continuous emission: inorganic materials that contain spin defects, such as diamond and silicon carbide, have been proposed. Here we report a continuous-wave room-temperature maser oscillator using optically pumped nitrogen–vacancy defect centres in diamond. This demonstration highlights the potential of room-temperature solid-state masers for use in a new generation of microwave devices that could find application in medicine, security, sensing and quantum technologies.

Towards novel organic high-Tc superconductors: Data mining using density of states similarity search

Science.gov (United States)

Geilhufe, R. Matthias; Borysov, Stanislav S.; Kalpakchi, Dmytro; Balatsky, Alexander V.

2018-02-01

Identifying novel functional materials with desired key properties is an important part of bridging the gap between fundamental research and technological advancement. In this context, high-throughput calculations combined with data-mining techniques highly accelerated this process in different areas of research during the past years. The strength of a data-driven approach for materials prediction lies in narrowing down the search space of thousands of materials to a subset of prospective candidates. Recently, the open-access organic materials database OMDB was released providing electronic structure data for thousands of previously synthesized three-dimensional organic crystals. Based on the OMDB, we report about the implementation of a novel density of states similarity search tool which is capable of retrieving materials with similar density of states to a reference material. The tool is based on the approximate nearest neighbor algorithm as implemented in the ANNOY library and can be applied via the OMDB web interface. The approach presented here is wide ranging and can be applied to various problems where the density of states is responsible for certain key properties of a material. As the first application, we report about materials exhibiting electronic structure similarities to the aromatic hydrocarbon p-terphenyl which was recently discussed as a potential organic high-temperature superconductor exhibiting a transition temperature in the order of 120 K under strong potassium doping. Although the mechanism driving the remarkable transition temperature remains under debate, we argue that the density of states, reflecting the electronic structure of a material, might serve as a crucial ingredient for the observed high Tc. To provide candidates which might exhibit comparable properties, we present 15 purely organic materials with similar features to p-terphenyl within the electronic structure, which also tend to have structural similarities with p-terphenyl

Vacuum UV Polarization Spectroscopy of p-Terphenyl

DEFF Research Database (Denmark)

Nguyen, Duy Duc; Jones, Nykola C.; Hoffmann, Søren Vrønning

2018-01-01

functional theory(TD–DFT) procedures TD–CAM-B3LYP, TD–LC-wPBE, and TD–wB97XD are insimilar qualitative agreement with the observed partial absorbance curvesthroughout the investigated spectral regions, while TD–B3LYP fails to predictqualitatively the spectrum of p-terphenylin the region above 40000 cm–1 (250...

Physical properties of organic nuclear reactor coolants

Energy Technology Data Exchange (ETDEWEB)

Elberg, S.; Friz, G.

1963-03-15

Diphenyl and terphenyls with different high-boiler content were studied up to temperatures of 450 deg C. Data from high boiler reactors show viscosity (strong influence), thermal conductivity (medium influence), density and specific heat (small influence). The vapor pressure is rn the most affected property (important influence of low boilers). Also viscosity shows an effect. Some data for pure highboilers are also presented. New results were obtained with direct measurements of the latent heat ot vaporization. (P.C.H.)

Ion-exchange resin separation applied to activation analysis (1963); Separation par resines echangeuses d'ions appliquees a l'analyse par activation (1963)

Energy Technology Data Exchange (ETDEWEB)

Aubouin, G; Laverlochere, J [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1963-07-01

The separation techniques based on ion-exchange resins have been used, in this study, for carrying out activation analyses on about thirty impurities. A separation process has been developed so as to standardise these analyses and to render them execution a matter of routine. The reparation yields obtained are excellent and make it possible to carry out analyses on samples having a large activation cross-section ween working inside a reinforced fume-cupboard. This technique has been applied to the analysis of impurities in tantalum, iron, gallium, germanium, terphenyl, and tungsten. The extension of this process to other impurities and to other matrices is now being studied. (authors) [French] Les techniques de separations sur resines echangeusee d'ions ont ete utilisees, dans cette etude, pour effectuer des analyses par activation sur une trentaine d'impuretes. Un schema de separation a ete mis au point de maniere a normaliser ces analyses et a pouvoir les faire en routine. Les rendements de separation obtenus sont excellents et permettent de proceder a des analyses d'echantillons a grande section efficace d'activation en travaillant dans une sorbonne blindee. Des applications de cette technique ont ete faites pour des analyses d'impuretes dans le tantale, le fer, le gallium, le germanium, le terphenyle, le tungstene. L'extension de ce schema a d'autres impuretes et a d'autres matrices est en cours d'etude. (auteurs)

Factors determining radiation stability of plastic scintillators

Energy Technology Data Exchange (ETDEWEB)

Barashkov, N.N. [Texas Univ., Richardson, TX (United States). Dept. of Chemistry; Gunder, O.A.; Voronkina, N.I. [National Ukrainian Academy of Science, Kharkov (Ukraine). Inst. for Single Crystals; Milinchuk, V.K. [Karpov Inst. of Physical Chemistry, Moscow (Russian Federation)

1996-11-01

Polystyrene (PS) and polyvinylxylene (PVX) are the base materials for plastic scintillators u.v.-Vis spectrophotometry, luminescence and ESR spectroscopy were performed on irradiated samples of PS and PVX with the p-terphenyl (TP) as the primary luminophore and 1,4-di-2(5-phenyloxazolyl-1,3) benzene (POPOP) as the secondary one. Dependence of the radioluminescence intensity of the scintillators on the concentration of the macroradicals formed by irradiation was investigated. Dose dependence of the radiation stability of scintillators is discussed. (author).

Factors determining radiation stability of plastic scintillators

International Nuclear Information System (INIS)

Barashkov, N.N.

1996-01-01

Polystyrene (PS) and polyvinylxylene (PVX) are the base materials for plastic scintillators u.v.-Vis spectrophotometry, luminescence and ESR spectroscopy were performed on irradiated samples of PS and PVX with the p-terphenyl (TP) as the primary luminophore and 1,4-di-2(5-phenyloxazolyl-1,3) benzene (POPOP) as the secondary one. Dependence of the radioluminescence intensity of the scintillators on the concentration of the macroradicals formed by irradiation was investigated. Dose dependence of the radiation stability of scintillators is discussed. (author)

Factors determining radiation stability of plastic scintillators

Energy Technology Data Exchange (ETDEWEB)

Gunder, O.A.; Voronkina, N.I. [National Ukranian Academy of Science, Kharkov (Ukraine). Inst. for Single Crystals; Barashkov, N.N.; Milinchuk, V.K.; Jdanov, G.S. [Karpov Inst. of Physical Chemistry, Moscow (Russian Federation)

1995-07-01

Polystyrene (PS) and polyvinylxylene (PVX) are the base materials for plastic scintillators. UV-Vis spectrophotometry, luminescence and EPR spectroscopy were performed on irradiated samples of PS and PVX with the p-terphenyl (TP) as primary luminophore and 1,4-di-2(5-phenyloxazolyl-1,3)benzene (POPOP) as secondary one. Dependence of the radioluminescence intensity of the scintillators on the concentration of the macroradicals formed in them in the process of irradiation was investigated. Dose dependence of the radiation stability of scintillators is discussed. (Author).

Factors determining radiation stability of plastic scintillators

Science.gov (United States)

Gunder, O. A.; Voronkina, N. I.; Barashkov, N. N.; Milinchuk, V. K.; Jdanov, G. S.

1995-07-01

Polystyrene (PS) and polyvinylxylene (PVX) are the base materials for plastic scintillators. UV-Vis spectrophotometry, luminescence and EPR spectroscopy were performed on irradiated samples of PS and PVX with the p-terphenyl (TP) as primary luminophore and 1,4-di-2(5-phenyloxazolyl-1,3)benzene (POPOP) as secondary one. Dependence of the radioluminescence intensity of the scintillators on the concentration of the macroradicals formed in them in the process of irradiation was investigated. Dose dependence of the radiation stability of scintillators is discussed.

Factors determining radiation stability of plastic scintillators

International Nuclear Information System (INIS)

Gunder, O.A.; Voronkina, N.I.

1995-01-01

Polystyrene (PS) and polyvinylxylene (PVX) are the base materials for plastic scintillators. UV-Vis spectrophotometry, luminescence and EPR spectroscopy were performed on irradiated samples of PS and PVX with the p-terphenyl (TP) as primary luminophore and 1,4-di-2(5-phenyloxazolyl-1,3)benzene (POPOP) as secondary one. Dependence of the radioluminescence intensity of the scintillators on the concentration of the macroradicals formed in them in the process of irradiation was investigated. Dose dependence of the radiation stability of scintillators is discussed. (Author)

Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes

Science.gov (United States)

Aydin, H.; Bacaksiz, C.; Yagmurcukardes, N.; Karakaya, C.; Mermer, O.; Can, M.; Senger, R. T.; Sahin, H.; Selamet, Y.

2018-01-01

We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4″bis(diphenylamino)-1, 1‧:3″-terphenyl-5‧ carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-yl-1,1‧:3‧1‧-terphenyl-5‧ carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13, 1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as π-π interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode.

Ion-exchange resin separation applied to activation analysis (1963); Separation par resines echangeuses d'ions appliquees a l'analyse par activation (1963)

Energy Technology Data Exchange (ETDEWEB)

Aubouin, G.; Laverlochere, J. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1963-07-01

The separation techniques based on ion-exchange resins have been used, in this study, for carrying out activation analyses on about thirty impurities. A separation process has been developed so as to standardise these analyses and to render them execution a matter of routine. The reparation yields obtained are excellent and make it possible to carry out analyses on samples having a large activation cross-section ween working inside a reinforced fume-cupboard. This technique has been applied to the analysis of impurities in tantalum, iron, gallium, germanium, terphenyl, and tungsten. The extension of this process to other impurities and to other matrices is now being studied. (authors) [French] Les techniques de separations sur resines echangeusee d'ions ont ete utilisees, dans cette etude, pour effectuer des analyses par activation sur une trentaine d'impuretes. Un schema de separation a ete mis au point de maniere a normaliser ces analyses et a pouvoir les faire en routine. Les rendements de separation obtenus sont excellents et permettent de proceder a des analyses d'echantillons a grande section efficace d'activation en travaillant dans une sorbonne blindee. Des applications de cette technique ont ete faites pour des analyses d'impuretes dans le tantale, le fer, le gallium, le germanium, le terphenyle, le tungstene. L'extension de ce schema a d'autres impuretes et a d'autres matrices est en cours d'etude. (auteurs)

High proton polarization at high temperature with single crystals of aromatic molecules

International Nuclear Information System (INIS)

Iinuma, M.; Takahashi, Y.; Shake, I.; Oda, M.; Masaike, A.; Yabuzaki, T.; Shimizu, H.M.

2004-01-01

Protons in single crystals of naphthalene doped with pentacene and p-terphenyl doped with pentacene have been polarized up to 32% and 18%, respectively. Such polarization has been achieved at liquid nitrogen temperature in a magnetic field of 3 kG by means of microwave-induced optical nuclear polarization. We also measured the polarization by the neutron transmission method. The relaxation time at 77 K in 7 G was found to be about 3 h and the enhancement of the obtained polarization compared with thermal polarization reached 8x10 4 . This method is applicable to neutron experiments

Communication: Fast dynamics perspective on the breakdown of the Stokes-Einstein law in fragile glassformers.

Science.gov (United States)

Puosi, F; Pasturel, A; Jakse, N; Leporini, D

2018-04-07

The breakdown of the Stokes-Einstein (SE) law in fragile glassformers is examined by Molecular-Dynamics simulations of atomic liquids and polymers and consideration of the experimental data concerning the archetypical ortho-terphenyl glassformer. All the four systems comply with the universal scaling between the viscosity (or the structural relaxation) and the Debye-Waller factor ⟨u 2 ⟩, the mean square amplitude of the particle rattling in the cage formed by the surrounding neighbors. It is found that the SE breakdown is scaled in a master curve by a reduced ⟨u 2 ⟩. Two approximated expressions of the latter, with no and one adjustable parameter, respectively, are derived.

Plasmonic enhancement of ultraviolet fluorescence

Science.gov (United States)

Jiao, Xiaojin

Plasmonics relates to the interaction between electromagnetic radiation and conduction electrons at metallic interfaces or in metallic nanostructures. Surface plasmons are collective electron oscillations at a metal surface, which can be manipulated by shape, texture and material composition. Plasmonic applications cover a broad spectrum from visible to near infrared, including biosensing, nanolithography, spectroscopy, optoelectronics, photovoltaics and so on. However, there remains a gap in this activity in the ultraviolet (UV, research. Motivating factors in the study of UV Plasmonics are the direct access to biomolecular resonances and native fluorescence, resonant Raman scattering interactions, and the potential for exerting control over photochemical reactions. This dissertation aims to fill in the gap of Plasmonics in the UV with efforts of design, fabrication and characterization of aluminium (Al) and magnesium (Mg) nanostructures for the application of label-free bimolecular detection via native UV fluorescence. The first contribution of this dissertation addresses the design of Al nanostructures in the context of UV fluorescence enhancement. A design method that combines analytical analysis with numerical simulation has been developed. Performance of three canonical plasmonic structures---the dipole antenna, bullseye nanoaperture and nanoaperture array---has been compared. The optimal geometrical parameters have been determined. A novel design of a compound bullseye structure has been proposed and numerically analyzed for the purpose of compensating for the large Stokes shift typical of UV fluorescence. Second, UV lifetime modification of diffusing molecules by Al nanoapertures has been experimentally demonstrated for the first time. Lifetime reductions of ~3.5x have been observed for the high quantum yield (QY) laser dye p-terphenyl in a 60 nm diameter aperture with 50 nm undercut. Furthermore, quantum-yield-dependence of lifetime reduction has been

Four-electron deoxygenative reductive coupling of carbon monoxide at a single metal site

Science.gov (United States)

Buss, Joshua A.; Agapie, Theodor

2016-01-01

Carbon dioxide is the ultimate source of the fossil fuels that are both central to modern life and problematic: their use increases atmospheric levels of greenhouse gases, and their availability is geopolitically constrained. Using carbon dioxide as a feedstock to produce synthetic fuels might, in principle, alleviate these concerns. Although many homogeneous and heterogeneous catalysts convert carbon dioxide to carbon monoxide, further deoxygenative coupling of carbon monoxide to generate useful multicarbon products is challenging. Molybdenum and vanadium nitrogenases are capable of converting carbon monoxide into hydrocarbons under mild conditions, using discrete electron and proton sources. Electrocatalytic reduction of carbon monoxide on copper catalysts also uses a combination of electrons and protons, while the industrial Fischer-Tropsch process uses dihydrogen as a combined source of electrons and electrophiles for carbon monoxide coupling at high temperatures and pressures. However, these enzymatic and heterogeneous systems are difficult to probe mechanistically. Molecular catalysts have been studied extensively to investigate the elementary steps by which carbon monoxide is deoxygenated and coupled, but a single metal site that can efficiently induce the required scission of carbon-oxygen bonds and generate carbon-carbon bonds has not yet been documented. Here we describe a molybdenum compound, supported by a terphenyl-diphosphine ligand, that activates and cleaves the strong carbon-oxygen bond of carbon monoxide, enacts carbon-carbon coupling, and spontaneously dissociates the resulting fragment. This complex four-electron transformation is enabled by the terphenyl-diphosphine ligand, which acts as an electron reservoir and exhibits the coordinative flexibility needed to stabilize the different intermediates involved in the overall reaction sequence. We anticipate that these design elements might help in the development of efficient catalysts for

Self-assembly of triangular metallomacrocycles using unsymmetrical bisterpyridine ligands: isomer differentiation via TWIM mass spectrometry.

Science.gov (United States)

Liang, Yen-Peng; He, Yun-Jui; Lee, Yin-Hsuan; Chan, Yi-Tsu

2015-03-21

Three unsymmetrical, 60°-bended bisterpyridine ligands with varying phenylene spacer lengths have been synthesized via the Suzuki-Miyaura coupling reactions. Their self-assembly processes were found to be strongly dependent on the ligand geometry. Upon complexation with Zn(II) ions, only 2,4''-di(4'-terpyridinyl)-1,1':4',1''-terphenyl underwent self-selection to give a trinuclear metallomacrocycle with perfect heteroleptic connectivity and the other two afforded a mixture of constitutional isomers. The metallosupramolecular assemblies were characterized by NMR spectroscopy, electrospray mass spectrometry (ESI MS), and single-crystal X-ray diffraction. In particular, the identification of isomeric architecture was accomplished using tandem mass spectrometry (MS(2)) coupled with traveling wave ion mobility mass spectrometry (TWIM MS).

Highly efficient exciplex formation via radical ion pair recombination in X-irradiated alkane solutions for luminophores with short fluorescence lifetimes.

Science.gov (United States)

Melnikov, Anatoly R; Kalneus, Evgeny V; Korolev, Valeri V; Dranov, Igor G; Kruppa, Alexander I; Stass, Dmitri V

2014-08-01

X-irradiation of alkane solutions of N,N-dimethylaniline with various organic luminophores produces characteristic emission bands ascribed to the corresponding exciplexes. In contrast to optical generation, which requires diffusion-controlled quenching of excited states, an additional channel of exciplex formation via irreversible recombination of radical ion pairs is operative here, which produces exciplexes in solution with high efficiency even for p-terphenyl and diphenylacetylene having fluorescence decay times of 0.95 ns and 8 ps, respectively. The exciplex emission band is sensitive to an external magnetic field and exerts a very large observed magnetic field effect of up to 20%, the maximum possible value under the conditions of the described experiment.

Multicolour fluorescent memory based on the interaction of hydroxy terphenyls with fluoride anions.

Science.gov (United States)

Akamatsu, Masaaki; Mori, Taizo; Okamoto, Ken; Sakai, Hideki; Abe, Masahiko; Hill, Jonathan P; Ariga, Katsuhiko

2014-12-01

Memory operations based on variation of a molecule's properties are important because they may lead to device miniaturization to the molecular scale or increasingly complex information processing protocols beyond the binary level. Molecular memory also introduces possibilities related to information-storage security where chemical information (or reagents) might be used as an encryption key, in this case, acidic/basic reagents. Chemical memory that possesses both volatile and non-volatile functionality requires reversible conversion between at least two chemically different stable or quasi-stable states. Here we have developed the phenol-phenoxide equilibrium of phenol fluorophores as a data storage element, which can be used to write or modulate data using chemical reagents. The properties of this system allow data to be stored and erased either in non-volatile or volatile modes. We also demonstrate non-binary switching of states made possible by preparation of  a composite containing the molecular memory elements. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dependence of surface morphology on molecular structure and its influence on the properties of OLEDs

Energy Technology Data Exchange (ETDEWEB)

Lim, S.H. [Department of Chemical Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Ryu, G.Y. [Department of Electric Information and Control Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Seo, J.H.; Park, J.H. [Center for Organic Materials and Information Devices (COMID), Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Department of Information Display, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Youn, S.W. [Department of Chemical Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Kim, Y.K. [Center for Organic Materials and Information Devices (COMID), Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Department of Information Display, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of); Shin, D.M. [Department of Chemical Engineering, Hongik University, 72-1, Sangsu-Dong, Mapo-Gu, Seoul 121-791 (Korea, Republic of)], E-mail: shindm@wow.hongik.ac.kr

2008-09-15

Most organic light-emitting diodes (OLEDs) have a multilayer structure composed of organic layers such as a hole injection layer (HIL), a hole transport layer (HTL), an emission layer (EML), an electron transport layer (ETL) and an electron injection layer (EIL) sandwiched between two electrodes. The organic layers are thin solid films with a thickness from a few nano meters to a few tenths nano meter, respectively. Surface morphology of an organic thin solid film in OLEDs depends on the molecular structure of the organic material and has an affect on device performance. To analyze the effect of surface morphology of an organic thin solid film on fluorescence and electroluminescence (EL) properties, thin solid films of 4-(dicyanomethylene)-2-methyl-6-(julolidin-4-yl-vinyl)-4H-pyran (DCM2) and new red fluorophores, (2E,2'E)-3,3'-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2',5'-diyl] bis[2= -(2-thienyl)acrylonitrile] (ABCV-Th) and (2Z,2'Z)-3,3'-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2',5'-diyl] bis(2-phenylacrylonitrile) (ABCV-P) were investigated by atomic force microscopy (AFM). The samples for EL and AFM measurement were fabricated by the high-vacuum thermal deposition (8x10{sup -7} Torr) of organic materials onto the surface of indium tin oxide (ITO)-coated glass substrate, in which the layer structures of samples for AFM measurement and those for EL measurement were ITO/NPB (40 nm)/red emitters (80 nm) and ITO/NPB (40 nm)/red emitters (80 nm)/BCP (30 nm)/Liq (2 nm)/Al (100 nm), respectively. The analysis based on AFM measurements well supported that the photoluminescence properties and the device performance were very much dependent upon surface morphology of an organic thin layer.

Using LEDs to stimulate the recovery of radiation damage to plastic scintillators

Energy Technology Data Exchange (ETDEWEB)

Wetzel, J., E-mail: james-wetzel@uiowa.edu [The University of Iowa, Iowa City, IA (United States); Tiras, E. [The University of Iowa, Iowa City, IA (United States); Bilki, B. [The University of Iowa, Iowa City, IA (United States); Beykent University, Istanbul (Turkey); Onel, Y. [The University of Iowa, Iowa City, IA (United States); Winn, D. [Fairfield University, Fairfield, CT (United States)

2017-03-15

In this study, we consider using LEDs to stimulate the recovery of scintillators damaged from radiation in high radiation environments. We irradiated scintillating tiles of polyethylene naphthalate (PEN), Eljen brand EJ-260 (EJN), an overdoped EJ-260 (EJ2P), and a lab-produced elastomer scintillator (ES) composed of p-terphenyl (ptp) in epoxy. Two different high-dose irradiations took place, with PEN dosed to 100 kGy, and the others to 78 kGy. We found that the ‘blue’ scintillators (PEN and ES) recovered faster and maximally higher with LEDs than without. Conversely exposing the ‘green’ scintillators (EJ-260) to LED light had a nearly negligible effect on the recovery. We hypothesize that the ‘green’ scintillators require wavelengths that match their absorption and emission spectra for LED stimulated recovery.

Liquid xenon/krypton scintillation calorimeter

International Nuclear Information System (INIS)

Akimov, D.Yu.; Bolozdynya, A.I.; Brastilov, A.D.

1994-01-01

A scintillating LXe/LKr electromagnetic calorimeter has been built at the ITEP and tested at the BATES (MIT) accelerator. The detector consists of PMT matrix and 45 light collecting cells made of aluminized 50 microns Mylar partially covered with p-terphenyl as a wavelength-shifter. Each pyramidal cell has (2.1 x 2.1) x 40 x (4.15 x 4.15) cm dimensions and is viewed by FEU-85 glass-window photomultiplier. The detector has been exposed at 106-348 MeV electron beam. The energy resolution σ E /E ≅ 5% √ E at 100 - 350 MeV range in LXe, the coordinate resolution τ x ≅ 0.7 cm, the time resolution for single cell ≅ 0.6 ns have been obtained. Possible ways to improve energy resolution are discussed. 8 refs., 15 figs

Development of radiation hard scintillators

International Nuclear Information System (INIS)

Markley, F.; Woods, D.; Pla-Dalmau, A.; Foster, G.; Blackburn, R.

1992-05-01

Substantial improvements have been made in the radiation hardness of plastic scintillators. Cylinders of scintillating materials 2.2 cm in diameter and 1 cm thick have been exposed to 10 Mrads of gamma rays at a dose rate of 1 Mrad/h in a nitrogen atmosphere. One of the formulations tested showed an immediate decrease in pulse height of only 4% and has remained stable for 12 days while annealing in air. By comparison a commercial PVT scintillator showed an immediate decrease of 58% and after 43 days of annealing in air it improved to a 14% loss. The formulated sample consisted of 70 parts by weight of Dow polystyrene, 30 pbw of pentaphenyltrimethyltrisiloxane (Dow Corning DC 705 oil), 2 pbw of p-terphenyl, 0.2 pbw of tetraphenylbutadiene, and 0.5 pbw of UVASIL299LM from Ferro

Synergistic solvent extraction investigation of Am (III), Eu (III), Zn(II), and Cs(I), using 2-heptyl-2-methyl-nonanoic acid mixed with different organophosphorus compounds from nitrate media. Vol. 3

Energy Technology Data Exchange (ETDEWEB)

El-Naggar, H A; Ramadan, A; Abdel-Fattah, A [Nuclear Chemistry Department, Hot Laboratories Center, Atomic Energy Authority, Cairo (Egypt)

1996-03-01

Extraction studies for investigating the effect of mixing 2-heptyl-2-methyl nonanoic acid (HA) with a number of organophosphorus compounds; namely tributyl phosphate (TBP), terphenyl phosphate oxide (TPPO); tri octyl phosphine oxide (TOPO) or bis-2-(ethyl hexyl) phosphoric acid (HDEHP) in benzene on the extraction of trace elements Am(III), Eu(III), Zn(II), and Cs(I) from nitrate media of ionic strength, I=0.1 M were carried out. The effect of adding different organophosphorus compounds to HA was tested to account for the presence or absence of the phenomenon of synergism. It was found that TBP, TPPO, and TOPO causing some antagonistic effects for the elements studied. Extraction enhancement was only observed with bis- (2-ethyl-hexyl) -phosphoric acid (HDEHP) for all the elements investigated. The extraction mechanisms as well as the thermodynamic parameters for the mixed extracted species are discussed. 19 figs.

CMS Hadron Endcap Calorimeter Upgrade Studies for Super-LHC

International Nuclear Information System (INIS)

Bilki, Burak

2011-01-01

When the Large Hadron Collider approaches Super-LHC conditions above a luminosity of 10 34 cm -2 s -1 , the scintillator tiles of the CMS Hadron Endcap calorimeters will lose their efficiencies. As a radiation hard solution, the scintillator tiles are planned to be replaced by quartz plates. In order to improve the efficiency of the photodetection, various methods were investigated including radiation hard wavelength shifters, p-terphenyl or 4% gallium doped zinc oxide. We constructed a 20 layer calorimeter prototype with pTp coated plates of size 20 cm x 20 cm, and tested the hadronic and the electromagnetic capabilities at the CERN H2 beam-line. The beam tests revealed a substantial light collection increase with pTp or ZnO:Ga deposited quartz plates. Here we report on the current R and D for a viable endcap calorimeter solution for CMS with beam tests and radiation damage studies.

Synergistic solvent extraction investigation of Am (III), Eu (III), Zn(II), and Cs(I), using 2-heptyl-2-methyl-nonanoic acid mixed with different organophosphorus compounds from nitrate media. Vol. 3

International Nuclear Information System (INIS)

El-Naggar, H.A.; Ramadan, A.; Abdel-Fattah, A.

1996-01-01

Extraction studies for investigating the effect of mixing 2-heptyl-2-methyl nonanoic acid (HA) with a number of organophosphorus compounds; namely tributyl phosphate (TBP), terphenyl phosphate oxide (TPPO); tri octyl phosphine oxide (TOPO) or bis-2-(ethyl hexyl) phosphoric acid (HDEHP) in benzene on the extraction of trace elements Am(III), Eu(III), Zn(II), and Cs(I) from nitrate media of ionic strength, I=0.1 M were carried out. The effect of adding different organophosphorus compounds to HA was tested to account for the presence or absence of the phenomenon of synergism. It was found that TBP, TPPO, and TOPO causing some antagonistic effects for the elements studied. Extraction enhancement was only observed with bis- (2-ethyl-hexyl) -phosphoric acid (HDEHP) for all the elements investigated. The extraction mechanisms as well as the thermodynamic parameters for the mixed extracted species are discussed. 19 figs

Plastic scintillator

International Nuclear Information System (INIS)

Andreeshchev, E.A.; Kilin, S.F.; Kavyrzina, K.A.

1978-01-01

A plastic scintillator for ionizing radiation detectors with high time resolution is suggested. To decrease the scintillation pulse width and to maintain a high light yield, the 4 1 , 4 5 -dibromo-2 1 , 2 5 , 5 1 , 5 5 -tetramethyl-n-quinquiphenyl (Br 2 Me 4 Ph) in combination with n-terphenyl (Ph 3 ) or 2, 5-diphenyloxadiazol-1, 3, 4 (PPD) is used as a luminescent addition. Taking into consideration the results of a special study, it is shown, that the following ratio of ingradients is the optimum one: 3-4 mass% Ph 3 or 4-7 mas% PPD + 2-5 mass% Br 2 Me 4 Ph + + polymeric base. The suggested scintillator on the basis of polystyrene has the light yield of 0.23-0.26 arbitrary units and the scintillation pulse duration at half-height is 0.74-0.84 ns

Radiation Hard and High Light Yield Scintillator Search for CMS Phase II Upgrade

CERN Document Server

Tiras, Emrah

2015-01-01

The CMS detector at the LHC requires a major upgrade to cope with the higher instantaneous luminosity and the elevated radiation levels. The active media of the forward backing hadron calorimeters is projected to be radiation-hard, high light yield scintillation materials or similar alternatives. In this context, we have studied various radiation-hard scintillating materials such as Polyethylene Terephthalate (PET), Polyethylene Naphthalate (PEN), High Efficiency Mirror (HEM) and quartz plates with various coatings. The quartz plates are pure Cerenkov radiators and their radiation hardness has been confirmed. In order to increase the light output, we considered organic and inorganic coating materials such as p-Terphenyl (pTp), Anthracene and Gallium-doped Zinc Oxide (ZnO Ga) that are applied as thin layers on the surface of the quartz plates. Here, we present the results of the related test beam activities, laboratory measurements and recent developments.

X-ray excited luminescence of polystyrene composites loaded with SrF{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Demkiv, T.M.; Halyatkin, O.O.; Vistovskyy, V.V. [Ivan Franko National University of Lviv, 8a Kyryla i Mefodiya St., 79005 Lviv (Ukraine); Hevyk, V.B. [Ivano-Frankivsk National Technical University of Oil and Gas, 15 Karpatska St., 76019 Ivano-Frankivsk (Ukraine); Yakibchuk, P.M. [Ivan Franko National University of Lviv, 8a Kyryla i Mefodiya St., 79005 Lviv (Ukraine); Gektin, A.V. [Institute for Scintillation Materials, NAS of Ukraine, 60 Lenina Ave, 61001 Kharkiv (Ukraine); Voloshinovskii, A.S. [Ivan Franko National University of Lviv, 8a Kyryla i Mefodiya St., 79005 Lviv (Ukraine)

2017-03-01

The polystyrene film nanocomposites of 0.3 mm thickness with embedded SrF{sub 2} nanoparticles up to 40 wt% have been synthesized. The luminescent and kinetic properties of the polystyrene composites with embedded SrF{sub 2} nanoparticles upon the pulse X-ray excitation have been investigated. The luminescence intensity of the pure polystyrene scintillator film significantly increases when it is loaded with the inorganic SrF{sub 2} nanoparticles. The film nanocomposites show fast (∼2.8 ns) and slow (∼700 ns) luminescence decay components typical for a luminescence of polystyrene activators (p-Terphenyl and POPOP) and SrF{sub 2} nanoparticles, respectively. It is revealed that the fast decay luminescence component of the polystyrene composites is caused by the excitation of polystyrene by the photoelectrons escaped from the nanoparticles due to photoeffect, and the slow component is caused by reabsorption of the self-trapped exciton luminescence of SrF{sub 2} nanoparticles by polystyrene.

Single-photon sources based on single molecules in solids

International Nuclear Information System (INIS)

Moerner, W E

2004-01-01

Single molecules in suitable host crystals have been demonstrated to be useful single-photon emitters both at liquid-helium temperatures and at room temperature. The low-temperature source achieved controllable emission of single photons from a single terrylene molecule in p-terphenyl by an adiabatic rapid passage technique. In contrast with almost all other single-molecule systems, terrylene single molecules show extremely high photostability under continuous, high-intensity irradiation. A room-temperature source utilizing this material has been demonstrated, in which fast pumping into vibrational sidebands of the electronically excited state achieved efficient inversion of the emissive level. This source yielded a single-photon emission probability p(1) of 0.86 at a detected count rate near 300 000 photons s -1 , with very small probability of emission of more than one photon. Thus, single molecules in solids can be considered as contenders for applications of single-photon sources such as quantum key distribution

Chain-length-dependent intermolecular packing in polyphenylenes: a high pressure study

CERN Document Server

Heimel, G; Oehzelt, M; Hummer, K; Koppelhuber-Bitschnau, B; Porsch, F; Ambrosch-Draxl, C; Resel, R

2003-01-01

We report on pressure-induced structural changes in crystalline oligo(para-phenylenes) containing two to six phenyl rings. The results are discussed with particular emphasis put on the implications these changes in intermolecular distances and molecular arrangement have on important bulk properties of this class of materials, such as optical response and charge transport. We performed energy dispersive x-ray diffraction in a systematic study on polycrystalline powders of biphenyl, para-terphenyl, p-quaterphenyl, p-quinquephenyl and p-sexiphenyl under hydrostatic pressure up to 60 kbar. Revisiting the crystal structures at ambient conditions reveals details in the packing principle. A linear relationship between the density at ambient conditions and the number of phenyl rings is found. High pressure data not only yields pressure-dependent lattice parameters and hints towards pressure-induced changes in the molecular arrangement but also allows for an analysis of the equations of state of these substances as a ...

Highly Efficient White Organic Light Emitting Diodes Using New Blue Fluorescence Emitter.

Science.gov (United States)

Kim, Seungho; Kim, Beomjin; Lee, Jaehyun; Yu, Young-Jun; Park, Jongwook

2015-07-01

Two different emitting compounds, 1-[1,1';3',1"]Terphenyl-5'-yl-6-(10-[1,1';3',1"]terpheny-5'-yl- anthracen-9-yl)-pyrene (TP-AP-TP) and Poly-phenylene vinylene derivative (PDY 132) were used to white OLED device. By incorporating adjacent blue and yellow emitting layers in a multi-layered structure, highly efficient white emission has been attained. The device was fabricated with a hybrid configuration structure: ITO/PEDOT (40 nm)/PDY-132 (8-50 nm)/ NPB (10 nm)/TP-AP-TP (30 nm)/Alq3 (20 nm)/LiF (1 nm)/Al (200 nm). After fixing TP-AP-TP thickness of 30 nm by evaporation, PDY-132 thickness varied with 8, 15, 35, and 50 nm by spin coating in device. The luminance efficiency of the white devices at 10 mA/cm2 were 2.93 cd/A-6.55 cd/A. One of white devices showed 6.55 cd/A and white color of (0.290, 0.331).

Opacity test using a neon-seeded theta pinch

International Nuclear Information System (INIS)

Thomson, D.B.

1980-02-01

Vacuum ultraviolet (VUV) emission from a neon-seeded high-density theta-pinch has been observed for comparison with theoretical radiation emission calculations. The plasma was created in a 25-cm-long theta-coil with 90-kG field having a 3.0-μs quarter period. A gas fill of 1 torr of helium + 2% neon was used. Observation of the HeII 4686 line/continuum ratio gave an electron temperature of 25 +- 4 eV. Shadowgraphs of the plasma radius, taken with a ruby laser, gave an electron density of 0.9 +- 0.09 x 10 18 cm -3 . The VUV emission was observed in radial view and with time resolution with a 2.2-m grazing-incidence monochromator equipped with a photomultiplier and p-terphenyl scintillator. Thin foils of carbon and aluminum were used as filters to absorb stray light and pass emission in the 44- to 100-A region

R and D on Radiation Hard Active Media Based on Quartz Plates

CERN Document Server

Onel, Yasar

2014-01-01

The need for radiation-hard active media in particle detectors is prominently dictated by the future colliders and the future operations of the Large Hadron Collider. The areas of implementation range from calorimetry to beamline instrumentation to specialized forward detectors e.g. luminosity monitors. In this context, we developed the idea of utilizing quartz plates with various surface coating properties as the active medium for such detectors. Plain quartz is a pure Cerenkov radiator which has quite limited photostatistics. In order to improve the efficiency of the photodetection, various methods were investigated including radiation hard wavelength shifters, p-terphenyl or 4pct gallium doped zinc oxide. The readout options include direct coupling of the photodetector to the quartz plate, or fibers. We have studied various geometries and readout options and constructed calorimeter prototypes. Here we report on the results of the previous tests, and the recent developments, which enable several factors of ...

Cognitive training transfer using a personal computer-based game: A close quarters battle case study

Science.gov (United States)

Woodman, Michael D.

In this dissertation, liquid crystal (LC) materials and devices are investigated in order to meet the challenges for photonics and displays applications. We have studied three kinds of liquid crystal materials: positive dielectric anisotropic LCs, negative dielectric anisotropic LCs, and dual-frequency LCs. For the positive dielectric anisotropic LCs, we have developed some high birefringence isothiocyanato tolane LC compounds with birefringence ˜0.4, and super high birefringence isothiocyanato biphenyl-bistolane LC compounds with birefringence as high as ˜0.7. Moreover, we have studied the photostability of several high birefringence LC compounds, mixtures, and LC alignment layers in order to determine the failure mechanism concerning the lifetime of LC devices. Although cyano and isothiocyanato LC compounds have similar absorption peaks, the isothiocyanato compounds are more stable than their cyano counterparts under the same illumination conditions. This ultraviolet-durable performance of isothiocyanato compounds originates from its molecular structure and the delocalized electron distribution. We have investigated the alignment performance of negative dielectric anisotropic LCs in homeotropic (vertical aligned, VA) LC cell. Some (2, 3) laterally difluorinated biphenyls, terphenyls and tolanes are selected for this study. Due to the strong repulsive force between LCs and alignment layer, (2,3) laterally difluorinated terphenyls and tolanes do not align well in a VA cell resulting in a poor contrast ratio for the LC panel. We have developed a novel method to suppress the light leakage at dark state. By doping positive Deltaepsilon or non-polar LC compounds or mixtures into the host negative LC mixtures, the repulsive force is reduced and the cell exhibits an excellent dark state. In addition, these dopants increase the birefringence and reduce the viscosity of the host LCs which leads to a faster response time. In this dissertation, we investigate the

Crystal structure of [1,1':3',1''-ter-phenyl]-2',3,3''-tri-carb-oxy-lic acid.

Science.gov (United States)

Decato, Daniel A; Berryman, Orion B

2015-09-01

The asymmetric unit of the title compound, C21H14O6, com-prises two symmetrically independent mol-ecules that form a locally centrosymmetric hydrogen-bonded dimer, with the planes of the corresponding carb-oxy-lic acid groups rotated by 15.8 (1) and 17.5 (1)° relative to those of the adjacent benzene rings. The crystal as a whole, however, exhibits a noncentrosymmetric packing, described by the polar space group Pca21. The dimers form layers along the ab plane, being inter-connected by hydrogen bonds involving the remaining carb-oxy-lic acid groups. The plane of the central carb-oxy-lic acid group forms dihedral angles of 62.5 (1) and 63.0 (1)° with those of the adjacent benzene rings and functions as a hydrogen-bond donor and acceptor. As a donor, it inter-connects adjacent layers, while as an acceptor it stabilizes the packing within the layers. The 'distal' carb-oxy-lic acid groups are nearly coplanar with the planes of the adjacent benzene rings, forming dihedral angles of 1.8 (1) and 7.1 (1)°. These groups also form intra- and inter-layer hydrogen bonds, but with 'reversed' functionality, as compared with the central carb-oxy-lic acid groups.

Switching from Reactant to Substrate Engineering in the Selective Synthesis of Graphene Nanoribbons.

Science.gov (United States)

Merino-Díez, Néstor; Lobo-Checa, Jorge; Nita, Pawel; Garcia-Lekue, Aran; Basagni, Andrea; Vasseur, Guillaume; Tiso, Federica; Sedona, Francesco; Das, Pranab K; Fujii, Jun; Vobornik, Ivana; Sambi, Mauro; Pascual, José Ignacio; Ortega, J Enrique; de Oteyza, Dimas G

2018-04-27

The challenge of synthesizing graphene nanoribbons (GNRs) with atomic precision is currently being pursued along a one-way road, based on the synthesis of adequate molecular precursors that react in predefined ways through self-assembly processes. The synthetic options for GNR generation would multiply by adding a new direction to this readily successful approach, especially if both of them can be combined. We show here how GNR synthesis can be guided by an adequately nanotemplated substrate instead of by the traditionally designed reactants. The structural atomic precision, unachievable to date through top-down methods, is preserved by the self-assembly process. This new strategy's proof-of-concept compares experiments using 4,4''-dibromo-para-terphenyl as a molecular precursor on flat Au(111) and stepped Au(322) substrates. As opposed to the former, the periodic steps of the latter drive the selective synthesis of 6 atom-wide armchair GNRs, whose electronic properties have been further characterized in detail by scanning tunneling spectroscopy, angle resolved photoemission, and density functional theory calculations.

Interaction of In(I) and Tl(I) cations with 2,6-diaryl pyridine ligands: cation encapsulation within a very weakly interacting N/arene host environment.

Science.gov (United States)

Mansaray, Hassanatu B; Tang, Christina Y; Vidovic, Dragoslav; Thompson, Amber L; Aldridge, Simon

2012-12-03

The interaction of 2,6-dimesitylpyridine with Tl(I) and In(I) cations has been investigated with a view to developing tractable molecular M(I) compounds which are soluble in organic media. In stark contrast to isosteric and isoelectronic terphenyl systems, complexes featuring the [(2,6-Mes(2)py)M](+) fragment feature very weak metal-ligand interactions in the solid state, as revealed by M-N distances of the order of 2.45 Å (M = In) and 2.64 Å (M = Tl). While additional weak π interactions are observed with arene solvate molecules in these systems, the related 2:1 complex [(2,6-Mes(2)py)(2)In][BAr(f)(4)] features an In(I) center wholly encapsulated by the bulky Mes(2)py donors, and even longer In-N distances [2.586(6) and 2.662(5) Å]. These contacts are about 0.5 Å greater than the sum of the respective covalent radii (2.13 Å) and provide evidence for an effectively "naked" In(I) cation stabilized to a minor extent by orbital interactions.

Study of polystyrene scintillators-WLS fiber elements and scintillating tile-WLS prototypes for New CHOD detector of CERN NA-62 experiment

CERN Document Server

Semenov, Vitaliy; Gorin, Aleksandr; Khudyakov, Aleksey; Rykalin, Vladimir; Yushchenko, Oleg

2016-01-01

We measured the light output and the time resolution of few sets comprised of polystyrene scintillator and wavelength shifting (WLS) fibers as readout. The samples of different thickness (7-30 mm) have been made in the shape of bricks and plates with the areas of 25×80, 108×134 and 108×268 of mm2. In addition to samples of “ordinary” scintillator with additions of 2% p- Terphenyl + 0.05% POPOP, the rapid ultraviolet scintillator with single 2% additive PBD was tested. For the light collection WLS-fibers BCF92, Y11 and scintillation fiber SCSF-78M as reemitting were checked. The fibers were glued into the grooves on the front surface of scintillators. As the photo detectors silicon photomultipliers (SiPM) produced by CPTA (Russia) and SensL (Ireland) were used. It is shown that the dependence of light output on the thickness of scintillator is nonlinear and close to the square root function, which is also confirmed by the calculations carried out by Monte Carlo. The measured value of a light output make...

Multiple Multidentate Halogen Bonding in Solution, in the Solid State, and in the (Calculated) Gas Phase.

Science.gov (United States)

Jungbauer, Stefan H; Schindler, Severin; Herdtweck, Eberhardt; Keller, Sandro; Huber, Stefan M

2015-09-21

The binding properties of neutral halogen-bond donors (XB donors) bearing two multidentate Lewis acidic motifs toward halides were investigated. Employing polyfluorinated and polyiodinated terphenyl and quaterphenyl derivatives as anion receptors, we obtained X-ray crystallographic data of the adducts of three structurally related XB donors with tetraalkylammonium chloride, bromide, and iodide. The stability of these XB complexes in solution was determined by isothermal titration calorimetry (ITC), and the results were compared to X-ray analyses as well as to calculated binding patterns in the gas phase. Density functional theory (DFT) calculations on the gas-phase complexes indicated that the experimentally observed distortion of the XB donors during multiple multidentate binding can be reproduced in 1:1 complexes with halides, whereas adducts with two halides show a symmetric binding pattern in the gas phase that is markedly different from the solid state structures. Overall, this study demonstrates the limitations in the transferability of binding data between solid state, solution, and gas phase in the study of complex multidentate XB donors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Alkaline polymer electrolyte fuel cells stably working at 80 °C

Science.gov (United States)

Peng, Hanqing; Li, Qihao; Hu, Meixue; Xiao, Li; Lu, Juntao; Zhuang, Lin

2018-06-01

Alkaline polymer electrolyte fuel cells are a new class of polymer electrolyte fuel cells that fundamentally enables the use of nonprecious metal catalysts. The cell performance mostly relies on the quality of alkaline polymer electrolytes, including the ionic conductivity and the chemical/mechanical stability. For a long time, alkaline polymer electrolytes are thought to be too weak in stability to allow the fuel cell to be operated at elevated temperatures, e.g., above 60 °C. In the present work, we report a progress in the state-of-the-art alkaline polymer electrolyte fuel cell technology. By using a newly developed alkaline polymer electrolyte, quaternary ammonia poly (N-methyl-piperidine-co-p-terphenyl), which simultaneously possesses high ionic conductivity and excellent chemical/mechanical stability, the fuel cell can now be stably operated at 80 °C with high power density. The peak power density reaches ca. 1.5 W/cm2 at 80 °C with Pt/C catalysts used in both the anode and the cathode. The cell works stably in a period of study over 100 h.

Quantitative interpretation of the transition voltages in gold-poly(phenylene) thiol-gold molecular junctions

KAUST Repository

Wu, Kunlin

2013-01-01

The transition voltage of three different asymmetric Au/poly(phenylene) thiol/Au molecular junctions in which the central molecule is either benzene thiol, biphenyl thiol, or terphenyl thiol is investigated by first-principles quantum transport simulations. For all the junctions, the calculated transition voltage at positive polarity is in quantitative agreement with the experimental values and shows weak dependence on alterations of the Au-phenyl contact. When compared to the strong coupling at the Au-S contact, which dominates the alignment of various molecular orbitals with respect to the electrode Fermi level, the coupling at the Au-phenyl contact produces only a weak perturbation. Therefore, variations of the Au-phenyl contact can only have a minor influence on the transition voltage. These findings not only provide an explanation to the uniformity in the transition voltages found for π-conjugated molecules measured with different experimental methods, but also demonstrate the advantage of transition voltage spectroscopy as a tool for determining the positions of molecular levels in molecular devices. © 2013 AIP Publishing LLC.

Intraoperative probe detecting β{sup −} decays in brain tumour radio-guided surgery

Energy Technology Data Exchange (ETDEWEB)

Solfaroli Camillocci, E., E-mail: elena.solfaroli@roma1.infn.it [Dip. Fisica, Sapienza Univ. di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Bocci, V.; Chiodi, G. [INFN Sezione di Roma, Roma (Italy); Collamati, F. [INFN Sezione di Roma, Roma (Italy); Dip. Scienze di Base e Applicate per l' Ingegneria, Sapienza Univ. di Roma, Roma (Italy); Donnarumma, R.; Faccini, R.; Mancini Terracciano, C. [Dip. Fisica, Sapienza Univ. di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Marafini, M. [INFN Sezione di Roma, Roma (Italy); Museo Storico della Fisica e Centro Studi e Ricerche ‘E. Fermi’, Roma (Italy); Mattei, I.; Muraro, S. [Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Roma (Italy); Recchia, L. [INFN Sezione di Roma, Roma (Italy); Rucinski, A. [INFN Sezione di Roma, Roma (Italy); Dip. Scienze di Base e Applicate per l' Ingegneria, Sapienza Univ. di Roma, Roma (Italy); Russomando, A. [Dip. Fisica, Sapienza Univ. di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Roma (Italy); Toppi, M. [Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Traini, G. [Dip. Fisica, Sapienza Univ. di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Morganti, S. [INFN Sezione di Roma, Roma (Italy)

2017-02-11

Radio-guided surgery (RGS) is a technique to intraoperatively detect tumour remnants, favouring a radical resection. Exploiting β{sup −} emitting tracers provides a higher signal to background ratio compared to the established technique with γ radiation, allowing the extension of the RGS applicability range. We developed and tested a detector based on para-terphenyl scintillator with high sensitivity to low energy electrons and almost transparent to γs to be used as intraoperative probe for RGS with β{sup −} emitting tracer. Portable read out electronics was customised to match the surgeon needs. This probe was used for preclinical test on specific phantoms and a test on “ex vivo” specimens from patients affected by meningioma showing very promising results for the application of this new technique on brain tumours. In this paper, the prototype of the intraoperative probe and the tests are discussed; then, the results on meningioma are used to make predictions on the performance of the probe detecting residuals of a more challenging and more interesting brain tumour: the glioma.

Fusion blankets for catalyzed D--D and D--3He reactors

International Nuclear Information System (INIS)

Fillo, J.A.; Powell, J.R.

1977-01-01

Blanket designs are presented for catalyzed D-D (Cat-D) and D-He 3 fusion reactors. Because of relatively low neutron wall loads and the flexibility due to non-tritium breeding, blankets potentially should operate for reactor life-times of approximately 30 years. Unscheduled replacement of failed blanket modules should be relatively rapid, due to very low residual activity, by operators working either through access ports in the shield (option 1) or directly in the plasma chamber (option 2). Cat-D blanket designs are presented for high (approximately 30%) and low (approximately 12%) β non-circular Tokamak reactors. The blankets are thick graphite screens, operating at high temperature to anneal radiation damage; the deposited neutron and gamma energy is thermally radiated along internal cavities and conducted to a bank of internal SiC coolant tubes (approximately 4 cm. ID) containing high pressure helium. In the D-He 3 Tokamak reactor design, the blanket consists of multiple layers (e.g., three) of thin (approximately 10 cm.) high strength aluminum (e.g., SAP), modular plates, cooled by organic terphenyl coolant

NEXT-100 Technical Design Report (TDR). Executive Summary

CERN Document Server

,

2012-01-01

In this Technical Design Report (TDR) we describe the NEXT-100 detector that will search for neutrinoless double beta decay in Xe-136. The document formalizes the ANGEL design presented in our Conceptual Design Report (CDR). The baseline detector is designed to hold a maximum of about 150 kg of xenon at 15 bar, or 100 kg at 10 bar. This option builds in the capability to increase the total isotope mass by 50% while keeping the operating pressure at a manageable level. The ANGEL design calls for an asymmetric TPC, with photomultipliers behind a transparent cathode and position-sensitive light pixels behind the anode. We have chosen the low background R11410-10 PMTs for energy and timing and Hamamatsu MPPCs (S10362-11-050P model) as tracking pixels. Each individual PMT will be isolated from the gas by an individual, pressure resistant enclosure and will be coupled to the sensitive volume through a sapphire window coated with terphenyl-butadiene (TPB) . MPPCs will be arranged in Dice Boards (DB) holding 64 senso...

Measurement of Density, Sound Velocity, Surface Tension, and Viscosity of Freely Suspended Supercooled Liquids

Science.gov (United States)

Trinh, E. H.

1995-01-01

Non-contact methods have been implemented in conjunction with levitation techniques to carry out the measurement of the macroscopic properties of liquids significantly cooled below their nominal melting point. Free suspension of the sample and remote methods allow the deep excursion into the metastable liquid state and the determination of its thermophysical properties. We used this approach to investigate common substances such as water, o-terphenyl, succinonitrile, as well as higher temperature melts such as molten indium, aluminum and other metals. Although these techniques have thus far involved ultrasonic, electromagnetic, and more recently electrostatic levitation, we restrict our attention to ultrasonic methods in this paper. The resulting magnitude of maximum thermal supercooling achieved have ranged between 10 and 15% of the absolute temperature of the melting point for the materials mentioned above. The physical properties measurement methods have been mostly novel approaches, and the typical accuracy achieved have not yet matched their standard equivalent techniques involving contained samples and invasive probing. They are currently being refined, however, as the levitation techniques become more widespread, and as we gain a better understanding of the physics of levitated liquid samples.

Transition from Arrhenius to non-Arrhenius temperature dependence of structural relaxation time in glass-forming liquids: continuous versus discontinuous scenario.

Science.gov (United States)

Popova, V A; Surovtsev, N V

2014-09-01

The temperature dependences of α relaxation time τ(α)(T) of three glass-forming liquids (salol, o-terphenyl, and α-picoline) were investigated by a depolarized light scattering technique. A detailed description of τ(α)(T) near T(A), the temperature of the transition from the Arrhenius law at high temperatures to a non-Arrhenius behavior of τ(α)(T) at lower temperatures, was done. It was found that this transition is quite sharp. If the transition is described as switching from the Arrhenius law to the Vogel-Fulcher-Tammann law, it occurs within the temperature range of about 15 K or less. Most of the known expressions for τ(α)(T) cannot describe this sharp transition. Our analysis revealed that this transition can be described either as a discontinuous transition in the spirit of the frustration-limited domain theory [D. Kivelson, G. Tarjus, X. Zhao, and S. A. Kivelson, Phys. Rev. E 53, 751 (1996)], implying a phase transition, or by a phenomenological expression recently suggested [B. Schmidtke, N. Petzold, R. Kahlau, M. Hofmann, and E. A. Rössler, Phys. Rev. E 86, 041507 (2012)], where the activation energy includes the term depending exponentially on temperature.

Electronic states of aryl radical functionalized graphenes: Density functional theory study

Science.gov (United States)

Tachikawa, Hiroto; Kawabata, Hiroshi

2016-06-01

Functionalized graphenes are known as a high-performance molecular device. In the present study, the structures and electronic states of the aryl radical functionalized graphene have been investigated by the density functional theory (DFT) method to elucidate the effects of functionalization on the electronic states of graphene (GR). Also, the mechanism of aryl radical reaction with GR was investigated. The benzene, biphenyl, p-terphenyl, and p-quaterphenyl radicals [denoted by (Bz) n (n = 1-4), where n means numbers of benzene rings in aryl radical] were examined as aryl radicals. The DFT calculation of GR-(Bz) n (n = 1-4) showed that the aryl radical binds to the carbon atom of GR, and a C-C single bond was formed. The binding energies of aryl radicals to GR were calculated to be ca. 6.0 kcal mol-1 at the CAM-B3LYP/6-311G(d,p) level. It was found that the activation barrier exists in the aryl radical addition: the barrier heights were calculated to be 10.0 kcal mol-1. The electronic states of GR-(Bz) n were examined on the basis of theoretical results.

Detection of ethanol in alcoholic beverages or vapor phase using fluorescent molecules embedded in a nanofibrous polymer.

Science.gov (United States)

Akamatsu, Masaaki; Mori, Taizo; Okamoto, Ken; Komatsu, Hirokazu; Kumagai, Ken; Shiratori, Seimei; Yamamura, Masaki; Nabeshima, Tatsuya; Sakai, Hideki; Abe, Masahiko; Hill, Jonathan P; Ariga, Katsuhiko

2015-03-25

An alcohol sensor was developed using the solid-state fluorescence emission of terphenyl-ol (TPhOH) derivatives. Admixtures of TPhOH and sodium carbonate exhibited bright sky-blue fluorescence in the solid state upon addition of small quantities of ethanol. A series of terphenol derivatives was synthesized, and the effects of solvent polarities and the structures of these π-conjugated systems on their fluorescence were systematically investigated by using fluorescence spectroscopy. In particular, π-extended TPhOHs and TPhOHs containing electron-withdrawing groups exhibited significant solvatochromism, and fluorescence colors varied from blue to red. Detection of ethanol contents in alcohol beverages (detection limit ∼ 5 v/v %) was demonstrated using different TPhOHs revealing the effect of molecular structure on sensing properties. Ethanol contents in alcoholic beverages could be estimated from the intensity of the fluorescence elicited from the TPhOHs. Moreover, when terphenol and Na2CO3 were combined with a water-absorbent polymer, ethanol could be detected at lower concentrations. Detection of ethanol vapor (8 v/v % in air) was also accomplished using a nanofibrous polymer scaffold as the immobilized sensing film.

Heat transfer properties of organic coolants containing high boiling residues

International Nuclear Information System (INIS)

Debbage, A.G.; Driver, M.; Waller, P.R.

1964-01-01

Heat transfer measurements were made in forced convection with Santowax R, mixtures of Santowax R and pyrolytic high boiling residue, mixtures of Santowax R and CMRE Radiolytic high boiling residue, and OMRE coolant, in the range of Reynolds number 10 4 to 10 5 . The data was correlated with the equation Nu = 0.015 Re b 0.85 Pr b 0.4 with an r.m.s. error of ± 8.5%. The total maximum error arising from the experimental method and inherent errors in the physical property data has been estimated to be less than ± 8.5%. From the correlation and physical property data, the decrease in heat transfer coefficient with increasing high boiling residue concentration has been determined. It has been shown that subcooled boiling in organic coolants containing high boiling residues is a complex phenomenon and the advantages to be gained by operating a reactor in this region may be marginal. Gas bearing pumps used initially in these experiments were found to be unsuitable; a re-designed ball bearing system lubricated with a terphenyl mixture was found to operate successfully. (author)

Measurement of the surface tension of Santowax 'R', para-, meta-, and ortho-terphenyl, diphenyl, diphenyl ether and dowtherm 'A'

International Nuclear Information System (INIS)

Bowring, R.W.; Garton, D.A.; Kinneir, J.H.

1961-09-01

Values of surface tension were obtained over the temperature range from near the melting point to near the normal boiling point of each substance. A capillary rise method was used employing a closed glass U-tube apparatus. The accuracy was ± 3% near the melting point falling to ± 5% near the normal boiling point. Values of the parachor calculated from the experimental data were in excellent agreement with those calculated from the molecular structure using the method proposed by Sugden. The surface tension in each case decreased with ascending temperature from near 30 to 40 dynes/cm close to the melting point to 13 to 15 dynes/cm near the normal boiling point. (author)

Crystal structure of [1,1′:3′,1′′-terphenyl]-2′,3,3′′-tricarboxylic acid

Directory of Open Access Journals (Sweden)

Daniel A. Decato

2015-09-01

Full Text Available The asymmetric unit of the title compound, C21H14O6, comprises two symmetrically independent molecules that form a locally centrosymmetric hydrogen-bonded dimer, with the planes of the corresponding carboxylic acid groups rotated by 15.8 (1 and 17.5 (1° relative to those of the adjacent benzene rings. The crystal as a whole, however, exhibits a noncentrosymmetric packing, described by the polar space group Pca21. The dimers form layers along the ab plane, being interconnected by hydrogen bonds involving the remaining carboxylic acid groups. The plane of the central carboxylic acid group forms dihedral angles of 62.5 (1 and 63.0 (1° with those of the adjacent benzene rings and functions as a hydrogen-bond donor and acceptor. As a donor, it interconnects adjacent layers, while as an acceptor it stabilizes the packing within the layers. The `distal' carboxylic acid groups are nearly coplanar with the planes of the adjacent benzene rings, forming dihedral angles of 1.8 (1 and 7.1 (1°. These groups also form intra- and inter-layer hydrogen bonds, but with `reversed' functionality, as compared with the central carboxylic acid groups.

Peltier cooling in molecular junctions

Science.gov (United States)

Cui, Longji; Miao, Ruijiao; Wang, Kun; Thompson, Dakotah; Zotti, Linda Angela; Cuevas, Juan Carlos; Meyhofer, Edgar; Reddy, Pramod

2018-02-01

The study of thermoelectricity in molecular junctions is of fundamental interest for the development of various technologies including cooling (refrigeration) and heat-to-electricity conversion1-4. Recent experimental progress in probing the thermopower (Seebeck effect) of molecular junctions5-9 has enabled studies of the relationship between thermoelectricity and molecular structure10,11. However, observations of Peltier cooling in molecular junctions—a critical step for establishing molecular-based refrigeration—have remained inaccessible. Here, we report direct experimental observations of Peltier cooling in molecular junctions. By integrating conducting-probe atomic force microscopy12,13 with custom-fabricated picowatt-resolution calorimetric microdevices, we created an experimental platform that enables the unified characterization of electrical, thermoelectric and energy dissipation characteristics of molecular junctions. Using this platform, we studied gold junctions with prototypical molecules (Au-biphenyl-4,4'-dithiol-Au, Au-terphenyl-4,4''-dithiol-Au and Au-4,4'-bipyridine-Au) and revealed the relationship between heating or cooling and charge transmission characteristics. Our experimental conclusions are supported by self-energy-corrected density functional theory calculations. We expect these advances to stimulate studies of both thermal and thermoelectric transport in molecular junctions where the possibility of extraordinarily efficient energy conversion has been theoretically predicted2-4,14.

The insoluble carbonaceous material of CM chondrites: A possible source of discrete organic compounds under hydrothermal conditions

Science.gov (United States)

Yabuta, Hikaru; Williams, Lynda B.; Cody, George D.; Alexander, Conel M. O. D.; Pizzarello, Sandra

2007-08-01

We report on the molecular analyses of the water- and solvent-soluble organic compounds released from the insoluble organic material (IOM) of the Murray meteorite upon treatment with weight-equivalent amounts of water and under conditions of elevated temperature and pressure. A varied suite of compounds was identified by gas chromatography-mass spectrometry (GC-MS). C3-C17 alkyl dicarboxylic acids and N- and O-containing hydroaromatic and aromatic compounds were found in the water extracts. The solvent extracts contained N-, O-, and S-containing aromatic compounds, a large number of their isomers and homologs, and a series of polycyclic aromatic hydrocarbons (PAHs) of up to five rings, together with noncondensed aromatic species such as substituted benzenes, biphenyl, and terphenyls as well as their substituted homologs, and hydrated PAHs. Isotopic analyses showed that residue IOMs after hydrothermal treatment had lower deuterium and 15N content than the untreated material (ΔD = -833‰ and Δ15N = -24.1) but did not differ from it in 13C composition. The effect of the hydrothermolytic release was recorded in significant differences between the NMR spectra of untreated and residue IOM. A possible relation to common precursors for the dicarboxylic acids found in the IOM and bulk extracts is discussed.

On-Surface Pseudo-High-Dilution Synthesis of Macrocycles: Principle and Mechanism.

Science.gov (United States)

Fan, Qitang; Wang, Tao; Dai, Jingya; Kuttner, Julian; Hilt, Gerhard; Gottfried, J Michael; Zhu, Junfa

2017-05-23

Macrocycles have attracted much attention due to their specific "endless" topology, which results in extraordinary properties compared to related linear (open-chain) molecules. However, challenges still remain in their controlled synthesis with well-defined constitution and geometry. Here, we report the successful application of the (pseudo-)high-dilution method to the conditions of on-surface synthesis in ultrahigh vacuum. This approach leads to high yields (up to 84%) of cyclic hyperbenzene ([18]-honeycombene) via an Ullmann-type reaction from 4,4″-dibromo-meta-terphenyl (DMTP) as precursor on a Ag(111) surface. The mechanism of macrocycle formation was explored in detail using scanning tunneling microscopy and X-ray photoemission spectroscopy. We propose that the dominant pathway for hyperbenzene (MTP) 6 formation is the stepwise desilverization of an organometallic (MTP-Ag) 6 macrocycle, which forms via cyclization of (MTP-Ag) 6 chains under pseudo-high-dilution conditions. The high probability of cyclization on the stage of the organometallic phase results from the reversibility of the C-Ag bond. The case is different from that in solution, in which cyclization typically occurs on the stage of a covalently bonded open-chain precursor. This difference in the cyclization mechanism on a surface compared to that in solution stems mainly from the 2D confinement exerted by the surface template, which hinders the flipping of chain segments necessary for cyclization.

Water permeation through anion exchange membranes

Science.gov (United States)

Luo, Xiaoyan; Wright, Andrew; Weissbach, Thomas; Holdcroft, Steven

2018-01-01

An understanding of water permeation through solid polymer electrolyte (SPE) membranes is crucial to offset the unbalanced water activity within SPE fuel cells. We examine water permeation through an emerging class of anion exchange membranes, hexamethyl-p-terphenyl poly (dimethylbenzimidazolium) (HMT-PMBI), and compare it against series of membrane thickness for a commercial anion exchange membrane (AEM), Fumapem® FAA-3, and a series of proton exchange membranes, Nafion®. The HMT-PMBI membrane is found to possess higher water permeabilities than Fumapem® FAA-3 and comparable permeability than Nafion (H+). By measuring water permeation through membranes of different thicknesses, we are able to decouple, for the first time, internal and interfacial water permeation resistances through anion exchange membranes. Permeation resistances on liquid/membrane interface is found to be negligible compared to that for vapor/membrane for both series of AEMs. Correspondingly, the resistance of liquid water permeation is found to be one order of magnitude smaller compared to that of vapor water permeation. HMT-PMBI possesses larger effective internal water permeation coefficient than both Fumapem® FAA-3 and Nafion® membranes (60 and 18% larger, respectively). In contrast, the effective interfacial permeation coefficient of HMT-PMBI is found to be similar to Fumapem® (±5%) but smaller than Nafion®(H+) (by 14%).

Synthesis and characterization of titania-based monodisperse fluorescent europium nanoparticles for biolabeling

International Nuclear Information System (INIS)

Tan Mingqian; Wang Guilan; Ye Zhiqiang; Yuan Jingli

2006-01-01

Inorganic-organic hybrid titania-based nanoparticles covalently bound to a fluorescent Eu 3+ chelate of 4,4'-bis(1'',1'',1'',2'',2'',3'',3''-heptafluoro-4'',6''-hexanedion-6''-yl) chlorosulfo-o-terphenyl (BHHCT-Eu 3+ ) were synthesized by a sol-gel technique. A conjugate of BHHCT with 3-[2-(2-aminoethylamino) ethylamino]propyl-trimethoxysilane (APTS) was used as a precursor for the nanoparticle preparation and monodisperse nanoparticles consisting of titania network and silica sub-network covalently bound to the Eu 3+ chelate were prepared by the copolymerization of APTS-BHHCT conjugate, titanium tetraisopropoxide (TTIP) and free APTS in EuCl 3 water-alcohol solution. The effects of reaction conditions on size and fluorescence lifetime of the nanoparticles were investigated. The characterizations by transmission electron microscopy and fluorometric methods indicate that the nanoparticles are near spherical and strongly fluorescent having a fluorescence quantum yield of 11.6% and a long fluorescence lifetime of ∼0.4 ms. The direct-introduced amino groups on the nanoparticle's surface by using free APTS in nanoparticle preparation facilitated the biolabeling process of the nanoparticles. The nanoparticle-labeled streptavidin (SA) was prepared and used in a sandwich-type time-resolved fluoroimmunoassay (TR-FIA) of human prostate-specific antigen (PSA) by using a 96-well microtiter plate as the solid phase carrier. The method gives a detection limit of 66 pg/ml for the PSA assay

Highly efficient blue and warm white organic light-emitting diodes with a simplified structure

International Nuclear Information System (INIS)

Li, Xiang-Long; Chen, Dongcheng; Cai, Xinyi; Liu, Ming; Cao, Yong; Su, Shi-Jian; Ouyang, Xinhua; Ge, Ziyi

2016-01-01

Two blue fluorescent emitters were utilized to construct simplified organic light-emitting diodes (OLEDs) and the remarkable difference in device performance was carefully illustrated. A maximum current efficiency of 4.84 cd A"−"1 (corresponding to a quantum efficiency of 4.29%) with a Commission Internationale de l’Eclairage (CIE) coordinate of (0.144, 0.127) was achieved by using N,N-diphenyl-4″-(1-phenyl-1H-benzo[d]imidazol-2-yl)-[1, 1′:4′, 1″-terphenyl]-4-amine (BBPI) as a non-doped emission layer of the simplified blue OLEDs without carrier-transport layers. In addition, simplified fluorescent/phosphorescent (F/P) hybrid warm white OLEDs without carrier-transport layers were fabricated by utilizing BBPI as (1) the blue emitter and (2) the host of a complementary yellow phosphorescent emitter (PO-01). A maximum current efficiency of 36.8 cd A"−"1 and a maximum power efficiency of 38.6 lm W"−"1 were achieved as a result of efficient energy transfer from the host to the guest and good triplet exciton confinement on the phosphorescent molecules. The blue and white OLEDs are among the most efficient simplified fluorescent blue and F/P hybrid white devices, and their performance is even comparable to that of most previously reported complicated multi-layer devices with carrier-transport layers. (paper)

Studies on Pd/NiFe2O4 catalyzed ligand-free Suzuki reaction in aqueous phase: synthesis of biaryls, terphenyls and polyaryls

Directory of Open Access Journals (Sweden)

Suresh B. Waghmode

2011-03-01

Full Text Available Palladium supported on nickel ferrite (Pd/NiF2O4 was found to be a highly active catalyst for the Suzuki coupling reaction between various aryl halides and arylboronic acids. The reaction gave excellent yields (70–98% under ligand free conditions in a 1:1 DMF/H2O solvent mixture, in short reaction times (10–60 min. The catalyst could be recovered easily by applying an external magnetic field. The polyaryls were similarly synthesized.

Off-gas chemistry study of melter feed by Springborn Laboratories

International Nuclear Information System (INIS)

Crow, K.R.

1985-01-01

The purpose of the off-gas chemistry study of melter feed samples was to support and help substantiate glass melter thermochemistry models developed for the DWPF. Both sludge-only and sludge-precipitate feed samples were analyzed. Each slurry sample was pyrolyzed at temperatures from 150 to 1000 0 C in air and inert atmospheres, and the head space products were analyzed by chromatographic and mass spectrometric methods. Thermogravimetric, differential scanning calorimetric and Fourier transform infrared analyses were also performed on each sample. There were no unusually high exothermic reactions that would be cause for concern in the DWPF melter. Results for two types of sludge-precipitate feed were compared. One type contained simulated precipitate hydrolysis aqueous (PHA) product as fed to the SCM-2 melter. The second type contained PHA from the lab-scale acid hydrolysis reactor in 677-T. A major difference between the two types was a small, but distinct, presence of higher aromatics in gas from feed with reactor-produced PHA. This feed also evolved more CO and CO 2 than feed with simulated PHA at high pyrolytic temperatures (>750 0 C). Recent analyses have identified the higher boiling aromatics in reactor-produced PHA as primarily diphenylamine and p-terphenyl. These compounds will be included in future PHA simulations that are fed to research melters. Under an inert atmosphere, benzene and phenol were the two most abundant organics evolved during pyrolysis of sludge-precipitate feed

Effect of the Length of Side Group Substitution on Optical and Electroluminescene Properties

Energy Technology Data Exchange (ETDEWEB)

Shin, Hwan Gyu; Kang, Hyeon Mi; Kim, Beom Jin; Park, Young Il [The Catholic University, Bucheon (Korea, Republic of); Yu, Young Jun [Korea Research Institute of Chemical Technology, Ulsan (Korea, Republic of); Park, Jong Wook [LG display Co., Gyeonggi (Korea, Republic of)

2014-09-15

Blue emitting materials, 9,10-bis-biphenyl-4-yl-anthracene (AC-P), 9,10-bis-[1,1';4',1'']terphenyl-4-yl-anthracene (AC-DP), and 9,10-bis[3'',5''-deiphenyltriphenyl-4'-yl]anthracene (AC-TP) were synthesized through boration and Suzuki aryl-aryl coupling reaction. EL performance of blue light-emitters was optimized and improved by varying the chemical structures of the side groups. In the thin film state, the three materials exhibit PLmax values in the range of 442-456 nm. EL device with the synthesized compounds in the following configuration was fabricated: ITO/4,4',4''-tris(N-(2-naphthyl)-N-phenylamino)triphenylamine (2-TNATA) 60nm/N,N'-bis (naphthalene-1-yl)-N,N'-bis(phenyl)benzidine (NPB) 15nm/synthesized blue emitting materials (30nm)/1,3,5- tri(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl (TPBi) 20nm/LiF 1nm/Al 200nm. The current efficiency and C.I.E. value of AC-TP were 3.87 cd/A and (0.15, 0.12). A bulky and non-planar side group helps to prevent π-π* stacking interaction, which should lead to the formation of more reliable amorphous film. This is expected to have a positive effect on the high efficiency of the operating OLED device.

Theoretical studies of homogeneous catalysts mimicking nitrogenase.

Science.gov (United States)

Sgrignani, Jacopo; Franco, Duvan; Magistrato, Alessandra

2011-01-10

The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen 'fixation' via an iron molybdenum cofactor (FeMo-co) under ambient conditions. In contrast, industrially, the Haber-Bosch process reduces molecular nitrogen and hydrogen to ammonia with a heterogeneous iron catalyst under drastic conditions of temperature and pressure. This process accounts for the production of millions of tons of nitrogen compounds used for agricultural and industrial purposes, but the high temperature and pressure required result in a large energy loss, leading to several economic and environmental issues. During the last 40 years many attempts have been made to synthesize simple homogeneous catalysts that can activate dinitrogen under the same mild conditions of the nitrogenase enzymes. Several compounds, almost all containing transition metals, have been shown to bind and activate N₂ to various degrees. However, to date Mo(N₂)(HIPTN)₃N with (HIPTN)₃N= hexaisopropyl-terphenyl-triamidoamine is the only compound performing this process catalytically. In this review we describe how Density Functional Theory calculations have been of help in elucidating the reaction mechanisms of the inorganic compounds that activate or fix N₂. These studies provided important insights that rationalize and complement the experimental findings about the reaction mechanisms of known catalysts, predicting the reactivity of new potential catalysts and helping in tailoring new efficient catalytic compounds.

CCDC 1420585: Experimental Crystal Structure Determination : catena-[(mu-22,25-bis(4-carboxyphenyl)[11,21:24,31-terphenyl]-14,34-dicarboxylato)-calcium ethane

KAUST Repository

Plonka, Anna M.

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1420584: Experimental Crystal Structure Determination : catena-[(mu-22,25-bis(4-carboxyphenyl)[11,21:24,31-terphenyl]-14,34-dicarboxylato)-calcium ethylene

KAUST Repository

Plonka, Anna M.

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1420583: Experimental Crystal Structure Determination : catena-[(mu-22,25-bis(4-carboxyphenyl)[11,21:24,31-terphenyl]-14,34-dicarboxylato)-calcium acetylene

KAUST Repository

Plonka, Anna M.

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Theoretical Studies of Homogeneous Catalysts Mimicking Nitrogenase

Directory of Open Access Journals (Sweden)

Alessandra Magistrato

2011-01-01

Full Text Available The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen ‘fixation’ via an iron molybdenum cofactor (FeMo-co under ambient conditions. In contrast, industrially, the Haber-Bosch process reduces molecular nitrogen and hydrogen to ammonia with a heterogeneous iron catalyst under drastic conditions of temperature and pressure. This process accounts for the production of millions of tons of nitrogen compounds used for agricultural and industrial purposes, but the high temperature and pressure required result in a large energy loss, leading to several economic and environmental issues. During the last 40 years many attempts have been made to synthesize simple homogeneous catalysts that can activate dinitrogen under the same mild conditions of the nitrogenase enzymes. Several compounds, almost all containing transition metals, have been shown to bind and activate N2 to various degrees. However, to date Mo(N2(HIPTN3N with (HIPTN3N= hexaisopropyl-terphenyl-triamidoamine is the only compound performing this process catalytically. In this review we describe how Density Functional Theory calculations have been of help in elucidating the reaction mechanisms of the inorganic compounds that activate or fix N2. These studies provided important insights that rationalize and complement the experimental findings about the reaction mechanisms of known catalysts, predicting the reactivity of new potential catalysts and helping in tailoring new efficient catalytic compounds.

Does Brillouin light scattering probe the primary glass transition process at temperatures well above glass transition?

Science.gov (United States)

Voudouris, P; Gomopoulos, N; Le Grand, A; Hadjichristidis, N; Floudas, G; Ediger, M D; Fytas, G

2010-02-21

The primary alpha-relaxation time (tau(alpha)) for molecular and polymeric glass formers probed by dielectric spectroscopy and two light scattering techniques (depolarized light scattering and photon correlation spectroscopy) relates to the decay of the torsional autocorrelation function computed by molecular dynamics simulation. It is well known that Brillouin light scattering spectroscopy (BLS) operating in gigahertz frequencies probes a fast (10-100 ps) relaxation of the longitudinal modulus M*. The characteristic relaxation time, irrespective of the fitting procedure, is faster than the alpha-relaxation which obeys the non-Arrhenius Vogel-Fulcher-Tammann equation. Albeit, this has been noticed, it remains a puzzling finding in glass forming systems. The available knowledge is based only on temperature dependent BLS experiments performed, however, at a single wave vector (frequency). Using a new BLS spectrometer, we studied the phonon dispersion at gigahertz frequencies in molecular [o-terphenyl (OTP)] and polymeric [polyisoprene (PI) and polypropylene (PP)] glass formers. We found that the hypersonic dispersion does relate to the glass transition dynamics but the disparity between the BLS-relaxation times and tau(alpha) is system dependent. In PI and PP, the former is more than one order of magnitude faster than tau(alpha), whereas the two relaxation times become comparable in the case of OTP. The difference between the two relaxation times appears to relate to the "breadth" of the relaxation time distribution function. In OTP the alpha-relaxation process assumes a virtually single exponential decay at high temperatures well above the glass transition temperature, in clear contrast with the case of the amorphous bulk polymers.

Excitation processes in organic systems under irradiation with vacuum ultraviolet radiation

International Nuclear Information System (INIS)

Shefer, Y.

1983-08-01

The subject of this work is the fluorescence of organic systems in the excitation range where phenomena of photon multiplication begin. It was hoped to reach the excitation energy above which the distribution of the various phenomena was constant and as a result, a linear function between the variation of the fluorescence intensity with variations of the excitation, would be obtained. The experimental set-up consisted mainly of suitable light sources, monochromators and detectors. The gated measuring system consisted of an oscilloscope, integrator and recorder. The material predominantly used in the experiments was anthracene whose absorption spectrum was investigated and calculated. The absorption spectra of various polycrystalline layers were also calculated. The absorption spectrum of a randomly ordered polycrystalline layer was compared with that of a hexane solution and a good correlation between the two spectra was obtained. For the study of the relationship between the excitation spectrum of anthracene and the order of crystal, the excitation spectrum of single crystals of anthracene was measured from 4 eV to 107 eV. For the excitation region from 10 eV to 23 eV the efficiency of exciting a singlet level by a photoelectron was calculated as a function of the kinetic energy of the photoelectron, assuming the efficiency of the recombination to be constant. The excitation spectra of single crystals of p-terphenyl, pyrene and phenanthrene were also examined. In all four crystals the excitation spectrum rises monotonically with an increase in the energy of the exciting photon. (author)

Properties of scintillator solutes

International Nuclear Information System (INIS)

Fluornoy, J.M.

1998-06-01

This special report summarizes measurements of the spectroscopic and other properties of the solutes that were used in the preparation of several new liquid scintillators developed at EG and G/Energy Measurements/Santa Barbara Operations (the precursor to Bechtel Nevada/Special Technologies Laboratory) on the radiation-to-light converter program. The data on the individual compounds are presented in a form similar to that used by Prof. Isadore Berlman in his classic handbook of fluorescence spectra. The temporal properties and relative efficiencies of the new scintillators are presented in Table 1, and the efficiencies as a function of wavelength are presented graphically in Figure 1. In addition, there is a descriptive glossary of the abbreviations used herein. Figure 2 illustrates the basic structures of some of the compounds and of the four solvents reported in this summary. The emission spectra generally exhibit more structure than the absorption spectra, with the result that the peak emission wavelength for a given compound may lie several nm away from the wavelength, λ avg , at the geometric center of the emission spectrum. Therefore, the author has chosen to list absorption peaks, λ max , and emission λ avg values in Figures 3--30, as being most illustrative of the differences between the compounds. The compounds, BHTP, BTPB, ADBT, and DPTPB were all developed on this program. P-terphenyl, PBD, and TPB are commercially available blue emitters. C-480 and the other longer-wavelength emitters are laser dyes available commercially from Exciton Corporation. 1 ref., 30 figs

Evaluation of organic coolants for the transportation of LMFBR spent fuel rods

International Nuclear Information System (INIS)

Arnold, C. Jr.

1978-05-01

The physical and chemical processes that are likely to occur when sodium coated LMFBR spent fuel rods are submerged in various aromatic organic coolants was defined by means of immersion experiments carried out with sodium coated 304 stainless steel coupons. Upon immersion of sodium coated coupons at 220 0 C in hydrocarbon type coolants such as Therminol 88, a mixture of terphenyls, not only was the metallic sodium retained on the coupon, but a carbonaceous coating formed on the surface of the sodium. In contrast, coolants that contained aromatic ether bonds, such as Dowtherm A, reacted with sodium at 220 0 C to form phenolate and other salts, which precipitated from the coolant in the form of a dark sludge. With Dowtherm A, removal of metallic sodium from the coupon was essentially complete in a matter of hours at temperatures of 160--220 0 C. Data on the rate and efficiency of sodium removal upon immersion in Dowtherm A at elevated temperatures were obtained. In addition the kinetics and chemistry of the sodium/Dowtherm A reaction were defined. Because sodium sludges are potentially incompatible with the containing structural materials and the fuel elements, it is recommended that sodium be removed prior to immersion in the coolant via reaction with benzoic acid; this method should be adaptable to the facilities at reactor sites. In aging studies Dowtherm A was found to be thermally stable up to 400 0 C and radiatively stable at ambient conditions. The combined effect of heat and radiation was not defined

Hybrid white organic light-emitting devices based on phosphorescent iridium–benzotriazole orange–red and fluorescent blue emitters

International Nuclear Information System (INIS)

Xia, Zhen-Yuan; Su, Jian-Hua; Chang, Chi-Sheng; Chen, Chin H.

2013-01-01

We demonstrate that high color purity or efficiency hybrid white organic light-emitting devices (OLEDs) can be generated by integrating a phosphorescent orange–red emitter, bis[4-(2H-benzotriazol-2-yl)-N,N-diphenyl-aniline-N 1 ,C 3 ] iridium acetylacetonate, Ir(TBT) 2 (acac) with fluorescent blue emitters in two different emissive layers. The device based on deep blue fluorescent material diphenyl-[4-(2-[1,1′;4′,1″]terphenyl-4-yl-vinyl)-phenyl]-amine BpSAB and Ir(TBT) 2 (acac) shows pure white color with the Commission Internationale de L'Eclairage (CIE) coordinates of (0.33,0.30). When using sky-blue fluorescent dopant N,N′-(4,4′-(1E,1′E)-2,2′-(1,4-phenylene)bis(ethene-2,1-diyl) bis(4,1-phenylene))bis(2-ethyl-6-methyl-N-phenylaniline) (BUBD-1) and orange–red phosphor with a color-tuning phosphorescent material fac-tris(2-phenylpyridine) iridium (Ir(ppy) 3 ), it exhibits peak luminance yield and power efficiency of 17.4 cd/A and 10.7 lm/W, respectively with yellow-white color and CIE color rendering index (CRI) value of 73. - Highlights: ► An iridium-based orange–red phosphor Ir(TBT) 2 (acac) was applied in hybrid white OLEDs. ► Duel- and tri-emitter WOLEDs were achieved with either high color purity or efficiency performance. ► Peak luminance yield of tri-emitter WOLEDs was 17.4 cd/A with yellow-white color and color rendering index (CRI) value of 73.

Thermodynamic study of 1,2,3-triphenylbenzene and 1,3,5-triphenylbenzene

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Santos, Luis M.N.B.F.; Lima, Luis M. Spencer S.

2010-01-01

The energetic study of 1,2,3-triphenylbenzene (1,2,3-TPhB) and 1,3,5-triphenylbenzene (1,3,5-TPhB) isomers was carried out by making use of the mini-bomb combustion calorimetry and Knudsen mass-loss effusion techniques. The mini-bomb combustion calorimetry technique was used to derive the standard (p o = 0.1 MPa) molar enthalpies of formation in the crystalline state from the measured standard molar energies of combustion for both isomers. The Knudsen mass-loss effusion technique was used to measure the dependence with the temperature of the vapour pressure of crystalline 1,2,3-TPhB, which allowed the derivation of the standard molar enthalpy of sublimation, by application of the Clausius-Clapeyron equation. The sublimation study of 1,3,5-TPhB had been performed previously. From the combination of data obtained by both techniques, the standard molar enthalpies of formation in the gaseous state, for both isomers, at T = 298.15 K, were calculated. The results indicate a higher stability of the 1,3,5-TPhB isomer relative to 1,2,3-TPhB, similarly to the terphenyls. Nevertheless, the 1,2,3-TPhB isomer is not as energetically destabilized as one might expect, supporting the existence of a π-π displacive stacking interaction between both pairs of outer phenyl rings. The volatility difference between the two isomers is ruled by the enthalpy of sublimation. The volatility of the 1,2,3-TPhB is two orders of magnitude higher than the 1,3,5-TPhB isomer, at T = 298.15 K.

Hybrid white organic light-emitting devices based on phosphorescent iridium-benzotriazole orange-red and fluorescent blue emitters

Energy Technology Data Exchange (ETDEWEB)

Xia, Zhen-Yuan, E-mail: xiazhenyuan@hotmail.com [Key Laboratory for Advanced Materials and Institute of Fine Chemicals, East China University of Science and Technology, Shanghai 200237 (China); Su, Jian-Hua [Key Laboratory for Advanced Materials and Institute of Fine Chemicals, East China University of Science and Technology, Shanghai 200237 (China); Chang, Chi-Sheng; Chen, Chin H. [Display Institute, Microelectronics and Information Systems Research Center, National Chiao Tung University, Hsinchu, Taiwan 300 (China)

2013-03-15

We demonstrate that high color purity or efficiency hybrid white organic light-emitting devices (OLEDs) can be generated by integrating a phosphorescent orange-red emitter, bis[4-(2H-benzotriazol-2-yl)-N,N-diphenyl-aniline-N{sup 1},C{sup 3}] iridium acetylacetonate, Ir(TBT){sub 2}(acac) with fluorescent blue emitters in two different emissive layers. The device based on deep blue fluorescent material diphenyl-[4-(2-[1,1 Prime ;4 Prime ,1 Double-Prime ]terphenyl-4-yl-vinyl)-phenyl]-amine BpSAB and Ir(TBT){sub 2}(acac) shows pure white color with the Commission Internationale de L'Eclairage (CIE) coordinates of (0.33,0.30). When using sky-blue fluorescent dopant N,N Prime -(4,4 Prime -(1E,1 Prime E)-2,2 Prime -(1,4-phenylene)bis(ethene-2,1-diyl) bis(4,1-phenylene))bis(2-ethyl-6-methyl-N-phenylaniline) (BUBD-1) and orange-red phosphor with a color-tuning phosphorescent material fac-tris(2-phenylpyridine) iridium (Ir(ppy){sub 3} ), it exhibits peak luminance yield and power efficiency of 17.4 cd/A and 10.7 lm/W, respectively with yellow-white color and CIE color rendering index (CRI) value of 73. - Highlights: Black-Right-Pointing-Pointer An iridium-based orange-red phosphor Ir(TBT){sub 2}(acac) was applied in hybrid white OLEDs. Black-Right-Pointing-Pointer Duel- and tri-emitter WOLEDs were achieved with either high color purity or efficiency performance. Black-Right-Pointing-Pointer Peak luminance yield of tri-emitter WOLEDs was 17.4 cd/A with yellow-white color and color rendering index (CRI) value of 73.

Steam stripping of polycyclic aromatics from simulated high-level radioactive waste

International Nuclear Information System (INIS)

Lambert, D.P.; Shah, H.B.; Young, S.R.; Edwards, R.E.; Carter, J.T.

1992-01-01

The Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS) will be the United States' first facility to process High Level radioactive Waste (HLW) into a borosilicate glass matrix. The removal of aromatic precipitates by hydrolysis, evaporation, liquid-liquid extraction and decantation will be a key step in the processing of the HLW. This step, titled the Precipitate Hydrolysis Process, has been demonstrated by the Savannah River Technology Center with the Precipitate Hydrolysis Experimental Facility (PHEF). The mission of the PHEF is to demonstrate processing of simulated high level radioactive waste which contains tetraphenylborate precipitates and nitrite. Aqueous washing or nitrite destruction is used to reduce nitrite. Formic acid with a copper catalyst is used to hydrolyze tetraphenylborate (TPB). The primary offgases are benzene, carbon dioxide, nitrous oxide, and nitric oxide. Hydrolysis of TPB in the presence of nitrite results in the production of polycyclic aromatics and aromatic amines (referred as high boiling organics) such as biphenyl, diphenylamine, terphenyls etc. The decanter separates the organic (benzene) and aqueous phase, but the high boiling organic separation is difficult. This paper focuses on the evaluation of the operating strategies, including steam stripping, to maximize the removal of the high boiling organics from the aqueous stream. Two areas were investigated, (1) a stream stripping comparison of the late wash flowsheet to the HAN flowsheet and (2) the extraction performance of the original decanter to the new decanter. The focus of both studies was to minimize the high boiling organic content of the Precipitate Hydrolysis Aqueous (PHA) product in order to minimize downstream impacts caused by organic deposition

Spatial distribution of organochlorine contaminants in soil, sediment, and fish in Bikini and Enewetak Atolls of the Marshall Islands, Pacific Ocean.

Science.gov (United States)

Wang, Jun; Caccamise, Sarah A L; Wu, Liejun; Woodward, Lee Ann; Li, Qing X

2011-08-01

Several nuclear tests were performed at Enewetak and Bikini Atolls in the Marshall Islands between 1946 and 1958. The events at Bikini Atoll involved several ships that were tested for durability during nuclear explosions, and 24 vessels now rest on the bottom of the Bikini lagoon. Nine soil samples were collected from different areas on the two islands of the atoll, and eighteen sediment, nine fish, and one lobster were collected in the vicinity of the sunken ships. Organochlorine pesticides (OCPs), polychlorinated biphenyls (PCBs), and polychlorinated terphenyls (PCTs) in these samples were analyzed using gas chromatography/ion trap mass spectrometry (GC/ITMS). The average recoveries ranged from 78% to 104% for the different PCB congeners. The limits of detection (LOD) for PCBs, PCTs, DDE, DDT, and dieldrin ranged 10-50 pg g(-1). Some fish from Enewetak contained PCBs at a concentration range of 37-137 ng g(-1), dry weight (dw), and most of the soils from Enewetak showed evidence of PCBs (22-392 ng g(-1)dw). Most of the Bikini lagoon sediment samples contained PCBs, and the highest was the one collected from around the Saratoga, an aircraft carrier (1555 ng g(-1)dw). Some of the fish samples, most of the soil samples, and only one of the sediment samples contained 2,2-bis(4-chlorophenyl)-1,1-dichloroethylene (DDE) and PCBs. In addition to PCBs, the soils from Enewetak Atoll contained PCTs. PCTs were not detected in the sediment samples from Bikini Atoll. The results suggest local pollution sources of PCBs, PCTs, and OCPs. Copyright © 2011. Published by Elsevier Ltd.

Persistent organic pollutants in biota samples collected during the Ymer-80 expedition to the Arctic

Directory of Open Access Journals (Sweden)

Henrik Kylin

2015-10-01

Full Text Available During the 1980 expedition to the Arctic with the icebreaker Ymer, a number of vertebrate species were sampled for determination of persistent organic pollutants. Samples of Arctic char (Salvelinus alpinus, n=34, glaucous gull (Larus hyperboreus, n=8, common eider (Somateria mollissima, n=10, Brünnich's guillemot (Uria lomvia, n=9, ringed seal (Pusa hispida, n=2 and polar bear (Ursus maritimus, n=2 were collected. With the exception of Brünnich's guillemot, there was a marked contamination difference of birds from western as compared to eastern/northern Svalbard. Samples in the west contained a larger number of polychlorinated biphenyl (PCB congeners and also polychlorinated terphenyls, indicating local sources. Brünnich's guillemots had similar pollutant concentrations in the west and east/north; possibly younger birds were sampled in the west. In Arctic char, pollutant profiles from lake Linnévatn (n=5, the lake closest to the main economic activities in Svalbard, were similar to profiles in Arctic char from the Shetland Islands (n=5, but differed from lakes to the north and east in Svalbard (n=30. Arctic char samples had higher concentrations of hexachlorocyclohexanes (HCHs than the marine species of birds and mammals, possibly due to accumulation via snowmelt. Compared to the Baltic Sea, comparable species collected in Svalbard had lower concentrations of PCB and dichlorodiphenyltrichloroethane (DDT, but similar concentrations indicating long-range transport of hexachlorobenzene, HCHs and cyclodiene pesticides. In samples collected in Svalbard in 1971, the concentrations of PCB and DDT in Brünnich's guillemot (n=7, glaucous gull (n=2 and polar bear (n=2 were similar to the concentrations found in 1980.

Development of a microarray-based assay for efficient testing of new HSP70/DnaK inhibitors.

Science.gov (United States)

Mohammadi-Ostad-Kalayeh, Sona; Hrupins, Vjaceslavs; Helmsen, Sabine; Ahlbrecht, Christin; Stahl, Frank; Scheper, Thomas; Preller, Matthias; Surup, Frank; Stadler, Marc; Kirschning, Andreas; Zeilinger, Carsten

2017-12-15

A facile method for testing ATP binding in a highly miniaturized microarray environment using human HSP70 and DnaK from Mycobacterium tuberculosis as biological targets is reported. Supported by molecular modelling studies we demonstrate that the position of the fluorescence label on ATP has a strong influence on the binding to human HSP70. Importantly, the label has to be positioned on the adenine ring and not to the terminal phosphate group. Unlabelled ATP displaced bound Cy5-ATP from HSP70 in the micromolar range. The affinity of a well-known HSP70 inhibitor VER155008 for the ATP binding site in HSP70 was determined, with a EC 50 in the micromolar range, whereas reblastin, a HSP90-inhibitor, did not compete for ATP in the presence of HSP70. The applicability of the method was demonstrated by screening a small compound library of natural products. This unraveled that terphenyls rickenyl A and D, recently isolated from cultures of the fungus Hypoxylon rickii, are inhibitors of HSP70. They compete with ATP for the chaperone in the range of 29 µM (Rickenyl D) and 49 µM (Rickenyl A). Furthermore, the microarray-based test system enabled protein-protein interaction analysis using full-length HSP70 and HSP90 proteins. The labelled full-length human HSP90 binds with a half-maximal affinity of 5.5 µg/ml (∼40 µM) to HSP70. The data also demonstrate that the microarray test has potency for many applications from inhibitor screening to target-oriented interaction studies. Copyright © 2017 Elsevier Ltd. All rights reserved.

Thermodynamic scaling of α-relaxation time and viscosity stems from the Johari-Goldstein β-relaxation or the primitive relaxation of the coupling model.

Science.gov (United States)

Ngai, K L; Habasaki, J; Prevosto, D; Capaccioli, S; Paluch, Marian

2012-07-21

By now it is well established that the structural α-relaxation time, τ(α), of non-associated small molecular and polymeric glass-formers obey thermodynamic scaling. In other words, τ(α) is a function Φ of the product variable, ρ(γ)/T, where ρ is the density and T the temperature. The constant γ as well as the function, τ(α) = Φ(ρ(γ)/T), is material dependent. Actually this dependence of τ(α) on ρ(γ)/T originates from the dependence on the same product variable of the Johari-Goldstein β-relaxation time, τ(β), or the primitive relaxation time, τ(0), of the coupling model. To support this assertion, we give evidences from various sources itemized as follows. (1) The invariance of the relation between τ(α) and τ(β) or τ(0) to widely different combinations of pressure and temperature. (2) Experimental dielectric and viscosity data of glass-forming van der Waals liquids and polymer. (3) Molecular dynamics simulations of binary Lennard-Jones (LJ) models, the Lewis-Wahnström model of ortho-terphenyl, 1,4 polybutadiene, a room temperature ionic liquid, 1-ethyl-3-methylimidazolium nitrate, and a molten salt 2Ca(NO(3))(2)·3KNO(3) (CKN). (4) Both diffusivity and structural relaxation time, as well as the breakdown of Stokes-Einstein relation in CKN obey thermodynamic scaling by ρ(γ)/T with the same γ. (5) In polymers, the chain normal mode relaxation time, τ(N), is another function of ρ(γ)/T with the same γ as segmental relaxation time τ(α). (6) While the data of τ(α) from simulations for the full LJ binary mixture obey very well the thermodynamic scaling, it is strongly violated when the LJ interaction potential is truncated beyond typical inter-particle distance, although in both cases the repulsive pair potentials coincide for some distances.

Isoreticular metal-organic frameworks, process for forming the same, and systematic design of pore size and functionality therein, with application for gas storage

Science.gov (United States)

Yaghi, Omar M.; Eddaoudi, Mohamed; Li, Hailian; Kim, Jaheon; Rosi, Nathaniel

2007-03-27

The ability to design and construct solid-state materials with pre-determined structures is a grand challenge in chemistry. An inventive strategy based on reticulating metal ions and organic carboxylate links into extended networks has been advanced to a point that has allowed the design of porous structures in which pore size and functionality can be varied systematically. MOF-5, a prototype of a new class of porous materials and one that is constructed from octahedral Zn--O--C clusters and benzene links, was used to demonstrate that its 3-D porous system can be functionalized with the organic groups, --Br, --NH2, --OC3H7, --OC5H11, --H4C2, and --H4C4, and its pore size expanded with the long molecular struts biphenyl, tetrahydropyrene, pyrene, and terphenyl. The ability to direct the formation of the octahedral clusters in the presence of a desired carboxylate link is an essential feature of this strategy, which resulted in the design of an isoreticular (having the same framework topology) series of sixteen well-defined materials whose crystals have open space representing up to 91.1% of the crystal volume, and homogeneous periodic pores that can be incrementally varied from 3.8 to 28.8 angstroms. Unlike the unpredictable nature of zeolite and other molecular sieve syntheses, the deliberate control exercised at the molecular level in the design of these crystals is expected to have tremendous implications on materials properties and future technologies. Indeed, data indicate that members of this series represent the first monocrystalline mesoporous organic/inorganic frameworks, and exhibit the highest capacity for methane storage (155 cm3/cm3 at 36 atm) and the lowest densities (0.41 to 0.21 g/cm3) attained to date for any crystalline material at room temperature.

KPEG application from the laboratory to Guam

International Nuclear Information System (INIS)

Kornel, A.; Rogers, C.J.; Sparks, H.L.

1989-01-01

This paper reports that the novel reagent generically named APEG (alkaline polyethylene glycolate) can be very effective for dehalogenation of a variety of halo aromatic pollutants. The PCBs, PCDDs, PCDFs even PCTs (polychlorinated terphenyls) can be effectively dehalogenated by APEG reagents to yield non-toxic products. The reagent has been shown to be effective on these classes of pollutants in a variety of matrices form sediment to soils and waste oils. Early tests of the in situ application of KPEG on dioxin contaminated soil demonstrated some limitations of the reagents applicability. The most severe drawback for in situ KPEG application is the reagents extreme hygroscopisity. These early experiences led to the design of the pilot-scale chemical reactor system for the effective use of the APEG reagent. This pilot-scale unit was capable of treating from one to two tons of contaminated soil per batch. Further refinements were made to the reactor system after careful examination and analysis of the first eight reactor batches. Contaminated soil containing from 500 to 2,600 ppm of PCB closely resembling Aroclor 1260 was treated with the KPEG reagent. The only residual PCB peak detected in the soil treatments was a tetrachlorobiphenyl, ranging from approximately 1 ppm to nondetectable levels. The KPEG reagent was also applied to treating all of the contaminated tyvek clothing, gloves and boots from the combined runs during the 1988 year. Sampling of the reactor contents revealed the presence of tetra-, penta-, and hexa- chlorobiphenyls but at below the one part per million range. These results demonstrate the capability of the KPEG reagent to perform chemical dehalogenation on haloaromatics in a variety of matricies, ranging from oils to soils and contaminated clothing

A visible-light-excited europium(III) complex-based luminescent probe for visualizing copper ions and hydrogen sulfide in living cells

Science.gov (United States)

Wang, Yiren; Wang, Huan; Yang, Mei; Yuan, Jingli; Wu, Jing

2018-01-01

Development of visible-light-excited lanthanide (III) complex-based luminescent probes is highly appealing due to their superiority of less damage to the living biosystems over the conventional UV-light-excited ones. In this work, a visible-light-excited europium (III) complex-based luminescent probe, BPED-BHHCT-Eu3+-BPT, has been designed and synthesized by conjugating the Cu2+-binding N,N-bis(2-pyridylmethyl)ethanediamine (BPED) to a tetradentate β-diketone ligand 4,4‧-bis(1″,1″,1″,2″,2″,3″,3″-heptafluoro-4″,6″-hexanedione-6″-yl)chlorosulfo-o-terphenyl (BHHCT) and coordinating with a coligand 2-(N,N-diethylanilin-4-yl)-4,6-bis(pyrazol-1-yl)-1,3,5-triazine) (BPT) for the time-gated luminescence detection of Cu2+ ions and hydrogen sulfide (H2S) in living cells. BPED-BHHCT-Eu3+-BPT exhibited a sharp excitation peak at 407 nm and a wide excitation window extending to beyond 460 nm. Upon its reaction with Cu2+ ions, the luminescence of BPED-BHHCT-Eu3+-BPT was efficiently quenched, which could be reversibly restored by the addition of H2S due to the strong affinity between Cu2+ ions and H2S. The "on-off-on" type luminescence behavior of BPED-BHHCT-Eu3+-BPT towards Cu2+ ions and H2S enabled the sensing of the two species with high sensitivity and selectivity. The performances of BPED-BHHCT-Eu3+-BPT for visualizing intracellular Cu2+ ions and H2S were investigated, and the results have demonstrated the practical applicability of the probe for molecular imaging of cells.

Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc).

Science.gov (United States)

Milner, Phillip J; Martell, Jeffrey D; Siegelman, Rebecca L; Gygi, David; Weston, Simon C; Long, Jeffrey R

2018-01-07

Alkyldiamine-functionalized variants of the metal-organic framework Mg 2 (dobpdc) (dobpdc 4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) are promising for CO 2 capture applications owing to their unique step-shaped CO 2 adsorption profiles resulting from the cooperative formation of ammonium carbamate chains. Primary , secondary (1°,2°) alkylethylenediamine-appended variants are of particular interest because of their low CO 2 step pressures (≤1 mbar at 40 °C), minimal adsorption/desorption hysteresis, and high thermal stability. Herein, we demonstrate that further increasing the size of the alkyl group on the secondary amine affords enhanced stability against diamine volatilization, but also leads to surprising two-step CO 2 adsorption/desorption profiles. This two-step behavior likely results from steric interactions between ammonium carbamate chains induced by the asymmetrical hexagonal pores of Mg 2 (dobpdc) and leads to decreased CO 2 working capacities and increased water co-adsorption under humid conditions. To minimize these unfavorable steric interactions, we targeted diamine-appended variants of the isoreticularly expanded framework Mg 2 (dotpdc) (dotpdc 4- = 4,4''-dioxido-[1,1':4',1''-terphenyl]-3,3''-dicarboxylate), reported here for the first time, and the previously reported isomeric framework Mg-IRMOF-74-II or Mg 2 (pc-dobpdc) (pc-dobpdc 4- = 3,3'-dioxidobiphenyl-4,4'-dicarboxylate, pc = para -carboxylate), which, in contrast to Mg 2 (dobpdc), possesses uniformally hexagonal pores. By minimizing the steric interactions between ammonium carbamate chains, these frameworks enable a single CO 2 adsorption/desorption step in all cases, as well as decreased water co-adsorption and increased stability to diamine loss. Functionalization of Mg 2 (pc-dobpdc) with large diamines such as N -( n -heptyl)ethylenediamine results in optimal adsorption behavior, highlighting the advantage of tuning both the pore shape and the diamine size for the development of

CCDC 1050063: Experimental Crystal Structure Determination : catena-[tetrakis(dimethylammonium) hexadecakis(mu-oxo)-hexakis(mu-3,3'',5,5''-tetrakis(4-carboxylatophenyl)-p-terphenyl)-dodecaaqua-dodeca-yttrium unknown solvate

KAUST Repository

Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1050064: Experimental Crystal Structure Determination : catena-[tetrakis(dimethylammonium) hexadecakis(mu-oxo)-hexakis(mu-3,3'',5,5''-tetrakis[2-(4-carboxylatophenyl)ethynyl]-p-terphenyl)-dodeca-yttrium unknown solvate

KAUST Repository

Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research on the Primary Processes of Radiation-Initiated Polymerization; Recherches sur les processus primaires de polymerisation amorcee par rayonnements; Issledovaniya osnovnykh protsessov polimerizatsii pod vozdejstviem oblucheniya; Estudios sobre los procesos primarios en la polimerizacion radioinducida

Energy Technology Data Exchange (ETDEWEB)

Okamura, S; Manabe, T; Higashimura, T; Oishi, Y; Futami, S

1960-07-15

Excitation energy transfer in benzene solutions of monomers, polymers and copolymers has been studied by observations on the quenching of terphenyl fluorescence produced by gamma radiation. The ease of energy transfer from benzene to various monomers is conjugated monomers > unconjugated > monomers > corresponding saturated compounds. Quenching experiments were also carried out using polymer solutions in benzene. The order of efficiencies was crepe rubber > polystyrene > polyvinyl acetate > acrylic polymers. The results obtained for quenching by a styrene-methyl methacrylate copolymer indicated that the specific quenching efficiency of the styrene units in the copolymer was less than in the homopolymer. The gamma ray initiated polymerisation of styrene in methylene dichloride solutions at low temperature was studied. The results obtained for the dependence of polymerisation rate on intensity are consistent with an ionic mechanism. The composition of the copolymer obtained with methyl methacrylate also supports this view. (author) [French] Les auteurs ont etudie la transmission de l'energie d'excitation dans les solutions de benzene du fait de la presence de monomeres, polymeres et copolymeres, en etudiant l'extinction de la fluorescence du terphenyle induite par rayons gamma. On peut classer les divers monomeres en trois categories selon l'ordre de facilite avec laquelle l'energie du benzene leur est transmise : monomeres conjugues, monomeres non conjugues, composes satures correspondants. Les auteurs ont egalement fait des experiences sur des polymeres dans une solution de benzene. L'efficacite va en decroissant dans l'ordre suivant: caoutchouc naturel, polystyrolene, acetate de polyvinyle, polymere acrylique. Les resultats obtenus pour le copolymere styrolene-methacrylate de methyle montrent que l'efficacite d'extinction du styrolene est plus faible dans le cas des copolymeres que dans le cas des homopolymeres. Les auteurs ont etudie la polymerisation du

CCDC 866715: Experimental Crystal Structure Determination : catena-((mu~12~-tris(4-(5'-ethynyl-1,1':3''.1''-terphenyl-4,4''-dicarboxylic acid)phenyl)amine)-tri-aqua-tri-copper unknown solvate)

KAUST Repository

Eubank, J.F.

2013-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1432978: Experimental Crystal Structure Determination : catena-[tris(mu-1,4-bis(4,4''-dicarboxylato-1,1':3',1''-terphenyl-5'-yl)benzene)-bis(mu-oxo)-hexaaqua-hexa-aluminium dichloride

KAUST Repository

Alezi, Dalal; Belmabkhout, Youssef; Suetin, Mikhail; Bhatt, Prashant; Weseliński, Łukasz J.; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid M.; Eddaoudi, Mohamed

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1432977: Experimental Crystal Structure Determination : catena-[tris(mu-5',5''-naphthalene-1,4-diylbis(1,1':3',1''-terphenyl-4,4''-dicarboxylato))-bis(mu-oxo)-hexaaqua-hexa-aluminium dichloride

KAUST Repository

Alezi, Dalal; Belmabkhout, Youssef; Suetin, Mikhail; Bhatt, Prashant; Weseliński, Łukasz J.; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid M.; Eddaoudi, Mohamed

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Two new Co(II)-MOFs based on polymeric chain building units: Crystal structures, and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Han, Min-Le [College of Materials & Chemical Engineering, Collaborative Innovation Center for Microgrid of New Energy of Hubei Province, China Three Gorges University, Yichang 443002 (China); Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China); Wu, Ya-Pan; Zhao, Jun [College of Materials & Chemical Engineering, Collaborative Innovation Center for Microgrid of New Energy of Hubei Province, China Three Gorges University, Yichang 443002 (China); Li, Dong-Sheng, E-mail: lidongsheng1@126.com [College of Materials & Chemical Engineering, Collaborative Innovation Center for Microgrid of New Energy of Hubei Province, China Three Gorges University, Yichang 443002 (China); Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China); Wang, Yao-Yu [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China)

2015-10-15

Two new Co(II) metal-organic frameworks, namely [Co{sub 2}(bpm)(H{sub 2}O){sub 3}(L)]{sub n} (1) and ([Co(bpe)(H{sub 2}O)(H{sub 2}L)]·(bpe){sub 0.5}·(H{sub 2}O)){sub n} (2), (H{sub 4}L=1,1′:2′,1″-terphenyl-3,3″,4′,5′-tetracarboxylic acid, bpm=bis(4-pyridyl)amine, bpe=1,2-bis(4-pyridyl)ethene), have been obtained under hydrothermal conditions. Both complexes 1 and 2 have been characterized by elemental analysis, IR spectra, single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). Complexes 1 and 2 consist of 1D Co(II) chains bridging by carboxylate groups in syn-anti fashion. 1 shows a novel 3D tri-nodal (4,6,10)-connected net with a (3.4{sup 3}.5{sup 2}){sub 2}(3{sup 2}.4{sup 14}.5{sup 12}.6{sup 12}.7{sup 4}.8)(3{sup 2}.4{sup 2}.5{sup 5}.6{sup 4}.7{sup 2}) topology. While 2 exhibits a 2D sql layer. Magnetic susceptibility measurements indicate that both 1 and 2 show weak antiferromagnetic interactions between the adjacent Co(II) ions in 300–8 K for 1 and 300–16 K for 2, respectively, and then 2 also displays ferromagnetic coupling at lower temperatures. - Graphical abstract: Two Co(II) coordination polymers with similar metal chain bridging by carboxylates in syn-anti fashion have been synthesized. Both 1 and 2 show weak antiferromagnetic interactions in high temperature, and then 2 also displays ferromagnetic coupling at lower temperatures. - Highlights: • Two Co(II) coordination polymers with similar metal chain bridging by carboxylates. • A novel 3D (4,6,10)-connected net and a 2D sql layers. • A antiferromagnetic coupling at high temperature for 1 and 2. • A ferromagnetic coupling at lower temperature for 2.

Synthesis of plastic scintillation microspheres: Evaluation of scintillators

International Nuclear Information System (INIS)

Santiago, L.M.; Bagán, H.; Tarancón, A.; Garcia, J.F.

2013-01-01

The use of plastic scintillation microspheres (PSm) appear to be an alternative to liquid scintillation for the quantification of alpha and beta emitters because it does not generate mixed wastes after the measurement (organic and radioactive). In addition to routine radionuclide determinations, PSm can be used for further applications, e.g. for usage in a continuous monitoring equipment, for measurements of samples with a high salt concentration and for an extractive scintillation support which permits the separation, pre-concentration and measurement of the radionuclides without additional steps of elution and sample preparation. However, only a few manufacturers provide PSm, and the low number of regular suppliers reduces its availability and restricts the compositions and sizes available. In this article, a synthesis method based on the extraction/evaporation methodology has been developed and successfully used for the synthesis of plastic scintillation microspheres. Seven different compositions of plastic scintillation microspheres have been synthesised; PSm1 with polystyrene, PSm2 with 2,5-Diphenyloxazol(PPO), PSm3 with p-terphenyl (pT), PSm4 with PPO and 1,4-bis(5-phenyloxazol-2-yl) (POPOP), PSm5 pT and (1,4-bis [2-methylstyryl] benzene) (Bis-MSB), PSm6 with PPO, POPOP and naphthalene and PSm7 with pT, Bis-MSB and naphthalene. The synthesised plastic scintillation microspheres have been characterised in terms of their morphology, detection capabilities and alpha/beta separation capacity. The microspheres had a median diameter of approximately 130 μm. Maximum detection efficiency values were obtained for the PSm4 composition as follows 1.18% for 3 H, 51.2% for 14 C, 180.6% for 90 Sr/ 90 Y and 76.7% for 241 Am. Values of the SQP(E) parameter were approximately 790 for PSm4 and PSm5. These values show that the synthesised PSm exhibit good scintillation properties and that the spectra are at channel numbers higher than in commercial PSm. Finally, the addition

Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc)† †Electronic supplementary information (ESI) available: Additional experimental details, and full characterization (powder X-ray diffraction, infrared spectra, diamine loadings, dry N2 decomposition profiles, and CO2 adsorption data) for all new adsorbents. CCDC 1577354. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04266c

Science.gov (United States)

Milner, Phillip J.; Martell, Jeffrey D.; Siegelman, Rebecca L.; Gygi, David; Weston, Simon C.

2017-01-01

Alkyldiamine-functionalized variants of the metal–organic framework Mg2(dobpdc) (dobpdc4– = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) are promising for CO2 capture applications owing to their unique step-shaped CO2 adsorption profiles resulting from the cooperative formation of ammonium carbamate chains. Primary,secondary (1°,2°) alkylethylenediamine-appended variants are of particular interest because of their low CO2 step pressures (≤1 mbar at 40 °C), minimal adsorption/desorption hysteresis, and high thermal stability. Herein, we demonstrate that further increasing the size of the alkyl group on the secondary amine affords enhanced stability against diamine volatilization, but also leads to surprising two-step CO2 adsorption/desorption profiles. This two-step behavior likely results from steric interactions between ammonium carbamate chains induced by the asymmetrical hexagonal pores of Mg2(dobpdc) and leads to decreased CO2 working capacities and increased water co-adsorption under humid conditions. To minimize these unfavorable steric interactions, we targeted diamine-appended variants of the isoreticularly expanded framework Mg2(dotpdc) (dotpdc4– = 4,4′′-dioxido-[1,1′:4′,1′′-terphenyl]-3,3′′-dicarboxylate), reported here for the first time, and the previously reported isomeric framework Mg-IRMOF-74-II or Mg2(pc-dobpdc) (pc-dobpdc4– = 3,3′-dioxidobiphenyl-4,4′-dicarboxylate, pc = para-carboxylate), which, in contrast to Mg2(dobpdc), possesses uniformally hexagonal pores. By minimizing the steric interactions between ammonium carbamate chains, these frameworks enable a single CO2 adsorption/desorption step in all cases, as well as decreased water co-adsorption and increased stability to diamine loss. Functionalization of Mg2(pc-dobpdc) with large diamines such as N-(n-heptyl)ethylenediamine results in optimal adsorption behavior, highlighting the advantage of tuning both the pore shape and the diamine size for the development

(E-1-(4,4′′-Difluoro-5′-methoxy-1,1′:3′,1′′-terphenyl-4′-yl-3-(6-methoxynaphthalen-2-ylprop-2-en-1-one

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2011-12-01

Full Text Available In the title compound, C33H24F2O3, the central benzene ring makes dihedral angles of 44.71 (10, 47.80 (10 and 63.68 (9° with the two fluoro-substituted benzene rings and the naphthalene ring system, respectively. In the crystal, molecules are connected via intermolecular C—H...F and C—H...O hydrogen bonds. Furthermore, the crystal structure is stabilized by weak C—H...π and π–π interactions [centroid–centroid distance = 3.6816 (13 Å].

N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl-4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxamide

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2012-09-01

Full Text Available The asymmetric unit of the title compound, C27H16F2N2O4, consists of two crystallographically independent molecules (A and B. In molecule B, the isoindoline-1,3-dione ring system is disordered over two set of sites with a site-occupancy ratio of 0.658 (12:0.342 (12. In molecule A, the fluoro-substituted benzene rings make dihedral angles of 18.36 (8 and 46.37 (8° with the central benzene ring, whereas the corresponding angles are 40.90 (8 and 52.89 (9° in molecule B. The isoindoline ring system in molecule A and the major and minor components of the disordered isoindoline ring system in molecule B make dihedral angles of 58.50 (4, 54.13 (16 and 70.01 (28 °, respectively, with their attached benzene rings, linked through the amide group. An intramolecular O—H...O hydrogen bond generates an S(6 ring in each molecule. In the crystal, molecules are linked by N—H...O, C—H...F and C—H...O hydrogen bonds into sheets lying parallel to the bc plane. The crystal studied was a non-merohedral twin with a refined twin component ratio of 0.9316 (8:0.0684 (8.

Thermic decomposition of biphenyl; Decomposition thermique du biphenyle

Energy Technology Data Exchange (ETDEWEB)

Lutz, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1966-03-01

Liquid and vapour phase pyrolysis of very pure biphenyl obtained by methods described in the text was carried out at 400 C in sealed ampoules, the fraction transformed being always less than 0.1 per cent. The main products were hydrogen, benzene, terphenyls, and a deposit of polyphenyls strongly adhering to the walls. Small quantities of the lower aliphatic hydrocarbons were also found. The variation of the yields of these products with a) the pyrolysis time, b) the state (gas or liquid) of the biphenyl, and c) the pressure of the vapour was measured. Varying the area and nature of the walls showed that in the absence of a liquid phase, the pyrolytic decomposition takes place in the adsorbed layer, and that metallic walls promote the reaction more actively than do those of glass (pyrex or silica). A mechanism is proposed to explain the results pertaining to this decomposition in the adsorbed phase. The adsorption seems to obey a Langmuir isotherm, and the chemical act which determines the overall rate of decomposition is unimolecular. (author) [French] Du biphenyle tres pur, dont la purification est decrite, est pyrolyse a 400 C en phase vapeur et en phase liquide dans des ampoules scellees sous vide, a des taux de decomposition n'ayant jamais depasse 0,1 pour cent. Les produits provenant de la pyrolyse sont essentiellement: l' hydrogene, le benzene, les therphenyles, et un depot de polyphenyles adherant fortement aux parois. En plus il se forme de faibles quantites d'hydrocarbures aliphatiques gazeux. On indique la variation des rendements des differents produits avec la duree de pyrolyse, l'etat gazeux ou liquide du biphenyle, et la pression de la vapeur. Variant la superficie et la nature des parois, on montre qu'en absence de liquide la pyrolyse se fait en phase adsorbee. La pyrolyse est plus active au contact de parois metalliques que de celles de verres (pyrex ou silice). A partir des resultats experimentaux un mecanisme de degradation du biphenyle en phase

Buckling Analysis for the Shape of the Thin-tube Support of Radioisotope Thermoelectric Generator to investigate structure integrity

International Nuclear Information System (INIS)

Park, Jong Han; Son, Kwang Jae; Hong, Jintae; Kim, Jong Bum

2016-01-01

Radiation detection using scintillator light produced in materials is one of the oldest and most useful techniques for the detection of a variety of radiations. A detector using plastic scintillators is well known to have an easy operation because it consists of a chemically stable material. In general, a plastic scintillator using a polymer such as polymethylmethacrylate (PMMA), polyvinyltoluene (PVT) or polystyrene (PS) is added to an organic scintillator. As an organic scintillator, the first solute is p-terphenyl or 2.5-diphenyloxazole (PPO), and the second solute is 1,4-bis [5-phenyl-2-oxazol] benzene (POPOP). A method for preparing a plastic scintillator is a mixture of a polymer and organic scintillators used for thermal polymerization. In this study, we prepared a plastic scintillator whose manufacturing process is simple and can be freely shaped. A thin plate of the plastic scintillator was manufactured using epoxy resin as a polymer. The optimal mixture ratio to prepare the plastic scintillator was derived from the above results. Using the derived results, we made the large-area plastic scintillator which can quickly measure the contamination site and evaluated characteristics of the large-area plastic scintillator in the laboratory. A thin plate of a plastic scintillator with a simple preparation process can be freely shaped using epoxy resin and organic scintillators such as PPO and POPOP. PPO emits scintillation of light in the ultraviolet range, and POPOP is a wave shifter for moving the wavelength responsible for the PMT. The mixture ratio of PPO and POPOP was determined using their emission spectra. The optimal weight percentage of PPO and POPOP in an organic scintillator was determined to be 0.2 wt%:0.01 wt%. Based on the above results, the large-area plastic scintillator of the window size of a typical pancake-type surface contamination counter was prepared. We want to evaluate the characteristics of the large-area plastic scintillator. However

Buckling Analysis for the Shape of the Thin-tube Support of Radioisotope Thermoelectric Generator to investigate structure integrity

Energy Technology Data Exchange (ETDEWEB)

Park, Jong Han; Son, Kwang Jae; Hong, Jintae; Kim, Jong Bum [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2016-10-15

Radiation detection using scintillator light produced in materials is one of the oldest and most useful techniques for the detection of a variety of radiations. A detector using plastic scintillators is well known to have an easy operation because it consists of a chemically stable material. In general, a plastic scintillator using a polymer such as polymethylmethacrylate (PMMA), polyvinyltoluene (PVT) or polystyrene (PS) is added to an organic scintillator. As an organic scintillator, the first solute is p-terphenyl or 2.5-diphenyloxazole (PPO), and the second solute is 1,4-bis [5-phenyl-2-oxazol] benzene (POPOP). A method for preparing a plastic scintillator is a mixture of a polymer and organic scintillators used for thermal polymerization. In this study, we prepared a plastic scintillator whose manufacturing process is simple and can be freely shaped. A thin plate of the plastic scintillator was manufactured using epoxy resin as a polymer. The optimal mixture ratio to prepare the plastic scintillator was derived from the above results. Using the derived results, we made the large-area plastic scintillator which can quickly measure the contamination site and evaluated characteristics of the large-area plastic scintillator in the laboratory. A thin plate of a plastic scintillator with a simple preparation process can be freely shaped using epoxy resin and organic scintillators such as PPO and POPOP. PPO emits scintillation of light in the ultraviolet range, and POPOP is a wave shifter for moving the wavelength responsible for the PMT. The mixture ratio of PPO and POPOP was determined using their emission spectra. The optimal weight percentage of PPO and POPOP in an organic scintillator was determined to be 0.2 wt%:0.01 wt%. Based on the above results, the large-area plastic scintillator of the window size of a typical pancake-type surface contamination counter was prepared. We want to evaluate the characteristics of the large-area plastic scintillator. However

Development and validation of methods for the analysis of polychlorinated biphenyls and polychlorinated terphenyls in organic materials; Erarbeitung und Validierung von Verfahren zur Bestimmung von polychlorierten Biphenylen und polychlorierten Terphenylen in organischen Materialien

Energy Technology Data Exchange (ETDEWEB)

Lehnik-Habrink, Petra; Schuetz, Sebastian; Redlich, Christel; Win, Tin; Philipp, Rosemarie; Kaminski, Katja [Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin (Germany)

2005-04-15

The aim of the project was to develop and validate a testing method for the determination of PCB and PCT in organic waste matrices such as cable covering material, waste wood and automotive shredder residue. The proposed method contains steps to grind the sample, extraction, clean up and quantification. For each matrix a maximum particle sizes was determined, necessary for reproducible results. A test series with different extraction methods such as accelerated solvent extraction (ASE), sonication extraction, shaking extraction and Soxhlet extraction was carried out to compare various extraction techniques. Solvent and extraction times were varied. Different clean up methods were tested and evaluated. The results were taken into account in the method proposal. For quantification the GC/ECD procedure is favored, since hereby both PCB and PCB substitutes can be analysed simultaneously within one chromatographic run, if the detector response is sufficient. In presence of interfering substances like polychlorinated naphthalenes PCB can be quantified by variation of the GC-conditions. For the quantitation of PCT a calculation method based on freely selectable congeners is suggested. For the investigation of PCB and PCT in waste quality-assurance measures are formulated, which correspond both with the legal as well as the analytic requirements. (orig.)

CCDC 866709: Experimental Crystal Structure Determination : catena-(dodecakis(mu~6~-5'-(1H-tetrazol-5-yl)-1,1':3',1''-terphenyl-4,4''-dicarboxylato)-tetrakis(mu~3~-oxo)-hexatriaconta-aqua-tetracosa-copper nitrate monohydrate)

KAUST Repository

Eubank, J.F.

2013-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 953497: Experimental Crystal Structure Determination : catena-[bis(mu-9-[4-((3,5-bis[(4,4''-dicarboxylato-1,1':3',1''-terphenyl-5'-yl)ethynyl]phenyl)ethynyl)phenyl]-9H-carbazole-3,6-dicarboxylato)-hexa-aqua-hexa-copper(ii) unknown solvate

KAUST Repository

Guillerm, Vincent; Weseliński, Łukasz J.; Belmabkhout, Youssef; Cairns, Amy J.; D'Elia, Valerio; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed

2014-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

What Is a Simple Liquid?

Directory of Open Access Journals (Sweden)

Trond S. Ingebrigtsen

2012-03-01

Full Text Available This paper is an attempt to identify the real essence of simplicity of liquids in John Locke’s understanding of the term. Simple liquids are traditionally defined as many-body systems of classical particles interacting via radially symmetric pair potentials. We suggest that a simple liquid should be defined instead by the property of having strong correlations between virial and potential-energy equilibrium fluctuations in the NVT ensemble. There is considerable overlap between the two definitions, but also some notable differences. For instance, in the new definition simplicity is not a direct property of the intermolecular potential because a liquid is usually only strongly correlating in part of its phase diagram. Moreover, not all simple liquids are atomic (i.e., with radially symmetric pair potentials and not all atomic liquids are simple. The main part of the paper motivates the new definition of liquid simplicity by presenting evidence that a liquid is strongly correlating if and only if its intermolecular interactions may be ignored beyond the first coordination shell (FCS. This is demonstrated by NVT simulations of the structure and dynamics of several atomic and three molecular model liquids with a shifted-forces cutoff placed at the first minimum of the radial distribution function. The liquids studied are inverse power-law systems (r^{-n} pair potentials with n=18,6,4, Lennard-Jones (LJ models (the standard LJ model, two generalized Kob-Andersen binary LJ mixtures, and the Wahnstrom binary LJ mixture, the Buckingham model, the Dzugutov model, the LJ Gaussian model, the Gaussian core model, the Hansen-McDonald molten salt model, the Lewis-Wahnstrom ortho-terphenyl model, the asymmetric dumbbell model, and the single-point charge water model. The final part of the paper summarizes properties of strongly correlating liquids, emphasizing that these are simpler than liquids in general. Simple liquids, as defined here, may be

Biological data on PCBs in animals other than man

Science.gov (United States)

Stickel, L.F.

1972-01-01

SUMMARY: Polychlorinated biphenyls have become ubiquitous in the world ecosystem in quantities similar to those of DDE. Experimental studies have shown that PCBs have a toxicity to mallards, pheasants, bobwhite quail, coturnix quail, red-winged blackbirds, starlings, cowbirds, and grackles that is of the same order as the toxicity of DDE to these species. Overt signs of poisoning also are similar to those caused by compounds of the DDT group. Toxic effects of DDE and Aroclor 1254 to coturnix chicks were additive, but not synergistic. PCBs containing higher percentages of chlorine are more toxic to birds than those containing lower percentages. PCBs of foreign manufacture contained contaminants to an extent that greatly increased their toxicity. Residues of PCBs in the brains of birds killed by these compounds measure in the hundreds of parts per million. PCBs may have contributed to mortality of some birds in the field. Toxicity to insects of PCBs of different degrees of chlorination is the reverse of the pattern in birds: the lower chlorinations are more toxic to insects. PCBs enhanced the toxicity of dieldrin and DDT to insects. Shrimp are very sensitive to PCBs and most will die as a result of 20-day exposure to a concentration of 5 ppb. PCBs also inhibit shell growth of oysters. Crabs are less sensitive; all accumulate residues to many times the concentrations in the water, and a test with crabs showed that they lost the residues very slowly. Growth of certain species of marine diatoms was experimentally inhibited by PCBs, but algae were not affected. The small marine crustacean, Gammarus, is sensitive to PCBs in concentrations of thousandths to tenths of a part per billion. Exposure to 5 ppb of Aroclor 1254 caused mortality of two species of fish in 14-45 days. Onset of death was delayed and was accompanied by fungus-like lesions. Rainbow trout were quickly killed by terphenyls at 10 ppb under normal oxygen conditions and at 2 ppb with reduced oxygen

Coupling molecular catalysts with nanostructured surfaces for efficient solar fuel production

Science.gov (United States)

Jin, Tong

Solar fuel generation via carbon dioxide (CO2) reduction is a promising approach to meet the increasing global demand for energy and to minimize the impact of energy consumption on climate change. However, CO2 is thermodynamically stable; its activation often requires the use of appropriate catalysts. In particular, molecular catalysts with well-defined structures and tunability have shown excellent activity in photochemical CO2 reduction. These homogenous catalysts, however, suffer from poor stability under photochemical conditions and difficulty in recycling from the reaction media. Heterogenized molecular catalysts, particularly those prepared by coupling molecular catalysts with solid-state surfaces, have attracted more attention in recent years as potential solutions to address the issues associated with molecular catalysts. In this work, solar CO2 reduction is investigated using systems coupling molecular catalysts with robust nanostructured surfaces. In Chapter 2, heterogenization of macrocyclic cobalt(III) and nickel (II) complexes on mesoporous silica surface was achieved by different methods. Direct ligand derivatization significantly lowered the catalytic activity of Co(III) complex, while grafting the Co(III) complex onto silica surface through Si-O-Co linkage resulted in hybrid catalysts with excellent activity in CO2 reduction in the presence of p-terphenyl as a molecular photosensitizer. An interesting loading effect was observed, in which the optimal activity was achieved at a medium Co(III) surface density. Heterogenization of the Ni(II) complex on silica surface has also been implemented, the poor photocatalytic activity of the hybrid catalyst can be attributed to the intrinsic nature of the homogeneous analogue. This study highlighted the importance of appropriate linking strategies in preparing functional heterogenized molecular catalysts. Coupling molecular complexes with light-harvesting surfaces could avoid the use of expensive molecular

Design of the detector to observe the energetic charged particles: a part of the solar X-ray spectrophotometer ChemiX onboard Interhelio-Probe mission

Science.gov (United States)

Dudnik, Oleksiy; Sylwester, Janusz; Kowalinski, Miroslaw; Bakala, Jaroslaw; Siarkowski, Marek; Evgen Kurbatov, mgr..

2016-07-01

-layer detector stack: first two layers consist of silicon detectors; the third one is based on the p-terphenyl scintillation detector coupled with pixelated silicon photomultiplier. Coincidence logic allows collecting systematic data on particle variety and their energy with 1 and/or 10 s time resolutions. Digital processing unit is constructed based on FPGA Actel ProAsic M1A3PE1500, and contains each event processing logic, forms telemetry data and housekeeping frames, communicates with ChemiX digital processing unit and executes received telecommands. In order to increase the reliability and time resource of the BPM its digital processing unit and secondary power supply unit has backup sets. Switching between backup sets is commanded by externally orders. The BPM is capable to sort out in situ abundances of individual particle constituents from electrons up to oxygen nuclei. 1. O.V.Dudnik, E.V.Kurbatov, V.O.Tarasov, L.A.Andryushenko, I.L.Zajtsevsky, J.Sylwester, J.Bąkala, M.Kowaliński. Background particle detector for the solar X-ray photometer ChemiX of space mission "Interhelioprobe": an adjustment of breadboard model modules (in Russian) / ISSN 1561-8889: Kosmichna Nauka I Tekhnologiya, 2015, Vol.21, No.2, P.3-14. 2. O.V.Dudnik, E.V.Kurbatov, J.Sylwester, M.Siarkowski, P.Podgórski, M.Kowaliński. Background Particle Monitor - a part of the solar X-ray spectrophotometer ChemiX: principles of the operation and construction / in: Abstracts of 15th Ukrainian conference on space research, Odesa, Ukraine, August 24-28, 2015, P.80, doi:10.13140/RG.2.1.2284.2649. 3. O.V.Dudnik, E.V.Kurbatov, M.Kowaliński, M.Siarkowski, P.Podgórski, J.Sylwester. Operational features of Background Particle Monitor, a vital part of the solar X-ray spectrophotometer ChemiX / in: Abstract book of the Conference "Progress on EUV&X-ray spectroscopy and imaging II", Wroclaw, Poland, November 17 19, 2015, P.9, doi:10.13140/RG.2.1.1184.3604.

Fluorinated tolane and dioxane liquid crystals for ferroelectric display applications

International Nuclear Information System (INIS)

Chu Chuan Dong

1994-05-01

prepared. The dialkyl homologue was non-mesomorphic, while the alkyl-alkoxy homologue possessed a monotropic smectic A phase. Two difluorobiphenyl dioxaborinanes were prepared, which possessed smectic C and nematic phases. The introduction of different linking groups resulted in changes of mesogenic behaviour to various degrees. The chirally substituted phenyl alkanoates possessed smectic C* phases, while the chirally substituted benzoates showed only orthogonal smectic A* phases. Introduction of a methyl group in a position vicinal to the first chiral centre to form a second chiral centre had additive effect. Electrooptic studies on difluorobiphenyl dioxane mixtures were carried out and the results were compared with five other groups of mixtures based on different core systems (phenylpyrimidine, fluorinated ester, ester-linked phenylcyclohexyl, difluoro- and monofluoro-terphenyls). The overall electro-optic properties of the difluorobiphenyl dioxanes were found to be the next best materials to the phenyl pyrimidines among the six most commonly used materials in display devices. 1-(4-Alkoxy-2,3-difluorophenyl)-2-(4-alkoxyphenyl)ethynes showed enantiotropic smectic C and nematic mesophases for the longer alkoxy chain homologues (n ≥ 9, m ≥ 7). When the ethynylene group was moved from between two benzene rings to a terminal aliphatic chain, both the smectic C and the nematic mesomorphic thermal stabilities were reduced. However, an enantiotropic smectic C mesophase was observed rather than the monotropic smectic C phase observed for the internal alkyne, as a consequence of the lower melting point. When the ethynylene linking group was attached to the fluorinated benzene ring, an orthogonal smectic A mesophase with a high thermal stability was observed. Smectic C and nematic mesophases were observed when the ethynylene linking group was attached to the non-fluorinated benzene ring. Three-ring compounds of 1-(2,3-difluorophenyl)-2-biphenylylethynes and 1