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Sample records for tetralin

  1. Hydrogenation of Tetralin over Supported Ni and Ir Catalysts

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    Dipali P. Upare

    2013-01-01

    Full Text Available Selective hydrogenation and ring opening (SRO of tetrahydronaphthalene (tetralin was studied over nickel and iridium supported catalysts in the context of the removal of polynuclear aromatics from diesel fuel. The tetralin hydrogenation was carried out in a fixed-bed reactor at 270°C, using H2 pressure of 30 bars, WHSV of 2.3 h−1, and H2/feed molar ratio of 40; the resultant products were analyzed by GC and GC-MS. The Ir/SiO2 catalyst gave 85% of tetralin conversion and 75.1% of decalin products selectivity whereas Ni/SiO2 catalyst showed an unprecedented high catalytic performance with 88.3% of tetralin conversion and 93% of decalin products selectivity. The catalysts were characterized by using different characterization techniques such as XRD, TPR, and HR-TEM to know the physicochemical properties as well as active sites in the catalysts.

  2. Liquefaction of Turkish coals in tetralin with microwaves

    Energy Technology Data Exchange (ETDEWEB)

    Simsek, E.H.; Karaduman, A.; Olcay, A. [Ankara University, Chemical Engineering Department, 06100 Tandogan, Ankara (Turkey)

    2001-10-25

    The effect of the ratio of solvent to coal (S/C) and the period of heating by microwave on the solubilization of Turkish Coals (Beypazari, Bolu-Goeynuek, Mugla-Yatagan, Soma-Merkez, Tuncbilek lignites and Zonguldak coal) in tetralin have been investigated. For the investigation of the effect of the S/C ratios with values of 4/1, 5/1, 6/1, 7/1 and 8/1, the coal samples were heated by microwave for 10 min. The results indicated that the optimum S/C ratio depends on the coal type to obtain the highest yields of THF solubles. The effect of microwave heating period was investigated at the values of 4/1 and 8/1 of S/C ratios and the heating period was changed from 2 to 10 min at 2-min intervals. The yield of THF solubles decreased with increasing heating period at the value of S/C ratio of 4/1, they increased with increasing heating period when the value of S/C ratio was 8/1. The yield of THF soluble coal products after 10 min of microwave heating period changed from 13% to 23%, depending on the coal type.

  3. The gas-phase thermal chemistry of tetralin and related model systems

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    Malandra, James [Iowa State Univ., Ames, IA (United States)

    1993-05-01

    The thesis is divided into 5 papers: gas-phase thermal decomposition of tetralin; flash vacuum pyrolysis of 3-benzocycloheptenone and 1,3, 4,5-tetrahydro-2-benzothiepin-2,2-dioxide (model systems for gas-phase pyrolysis of tetralin); high-temperature gas-phase reactions of o-allylbenzyl radicals generated by flash vacuum pyrolysis of is(o-allylbenzyl) oxalate; flash vacuum pyrolysis of 1,4-diphenylbutane; and flash vacuum pyrolysis of o-allyltoluene, o-(3-butenyl)toluene and o-(pentenyl)toluene were also used.

  4. Evaluation of cytotoxic effects of several novel tetralin derivatives against Hela, MDA-MB-468, and MCF-7 cancer cells

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    Fateme Shafiee

    2012-01-01

    Conclusion: With the exception of compound 2, other tested compounds have potential for further cytotoxicity evaluation. Synthesizing other tetralin derivatives similar to compound 4 and studying their structure-activity relationships (SARs would be encouraged.

  5. A SIMPLE, UNEXPECTED REGIOSELECTIVE CHLORINATION OF A SERIES OF 5-OH-2(ALKYLAMINO)TETRALINS - POTENTIAL DOPAMINERGIC AGENTS

    NARCIS (Netherlands)

    DIJKSTRA, D; GROL, CJ

    1992-01-01

    A series of 8-chloro-5-hydroxy-2-(alkylamino)tetralins were prepared in a one-step reaction using a hexachlorocyclohexadienone as regioselective chlorinating agent. The reaction proceeds in a highly selective but unexpected manner.

  6. Effects of the asphaltene structure and the tetralin/heptane solvent ratio on the size and shape of asphaltene aggregates.

    Science.gov (United States)

    Lee, Hwankyu; Lee, Yong-Kul

    2017-05-31

    Asphaltene molecules, which consist of differently hydrogenated polyaromatic cores grafted with side alkyl chains of different sizes and grafting densities, were simulated with a solvent mixture of heptane and tetralin using coarse-grained force fields. Starting with the initial configuration of randomly distributed asphaltene molecules and solvents, the asphaltene molecules aggregate because of the attractive force between their polyaromatic cores, but their sizes and shapes differ. The average aggregate size decreases with an increase in the hydrogenated polycyclic core, side-chain length, and tetralin concentration, which agree with experimental observations in the hydrocracking process. The number of side chains also influences the aggregate size but only in the presence of tetralin. In particular, the effect of tetralin addition occurs more significantly for asphaltene molecules with more side chains because side chains sterically block the intermolecular interactions between polyaromatic cores, which makes it easier for the aromatic ring of tetralin to bind to the polyaromatic core of asphaltene. These steric effects of side chains yield different shapes of aggregates, showing parallel stacking (face-to-face) for aromatic cores with many side chains, and T-shape (edge-to-face) or offset-parallel stacking for those with fewer side chains. These findings agree with the experimental observation regarding the effect of tetralin on the solubility of asphaltene, and indicate that the extent of the tetralin effect depends on the number of side alkyl chains, implying that tetralin solvents need to be added with consideration for the structural change of asphaltene under hydrogenation or dealkylation conditions.

  7. Evaluation of ′tetralin and Copper Oleate′ Combination As a Potent Pediculicide

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    Pushpa Naik

    1979-01-01

    Full Text Available A clinical investigation with a pediculicide preparation containing tetralin + copper oleate as active ingredients was conducted and its therapeutic effect was compared with a preparation containing benzyl benzoate + DDT The study was conducted on 50 patients with pediculosis capitis/corporis/pubis; in a skin out patient department of public hospital in Bombay. They were grouped into two groups of 25 patients each. In each group, 21 hadpediculosisca pitis, 3 had pediculosis corporis and one had pediculosis publs. Preparation containing tetralin + copper oleate was effective in all the patients and one application was enough in majority of patients to kill both lice and nits. However 4 patients (i.e. 16% showed recurrence within 7 days of stopping treatment, which was probably due to reinfection as they were found to be cured on 7th day′s examination. Medication containing benzyl benzoate + DDT was also effective in all cases but more than one application was necessary in majority of patients. Hence the duration of therapy was prolonged. Recurrence was noted in 8 patients within a week (i.e. 32% after stopping treatment. The chief advantage of preparation containing tetralin + copper oleate lies in its comparative effectiveness from a treatment of only 15 minutes duration. It was interesting enough to find this preparation effective in pediculosis with mild secondary infection without the use of antibiotics or chemodierapeutic agent like sulphonamides, in contrast to preparation containing benzyl benzoate + DDT which by itself had no beneficial effect in presence of secondary infection. However, a clinical trial on larger number of cases is necessary for confirmation.

  8. Podophyllum hexandrum Offers Radioprotection by Modulating Free Radical Flux: Role of Aryl-Tetralin Lignans

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    Raman Chawla

    2006-01-01

    Full Text Available We have evaluated the effect of variation in aryl-tetralin lignans on the radioprotective properties of Podophyllum hexandrum. Two fractionated fractions of P. hexandrum [methanolic (S1 and chloroform fractions (S2], with varying aryl-tetralin lignan content were utilized for the present study. The peroxyl ion scavenging potentials of S1 and S2 were found to be comparable [i.e. 45.88% (S1 and 41% (S2] after a 48 h interval in a time-dependent study, whereas in a 2 h study, S2 exhibited significant (P < 0.05 antioxidant activity in different metal ion + flux states. In the aqueous phase, S2 exhibited non-site-specific reactive oxygen species scavenging activity, i.e. 73.12% inhibition at 500 μg ml−1. S1 exhibited 58.40 ± 0.8% inhibition (at 0.025 μg ml−1 of the formation of reactive nitrite radicals, comparable to S2 (52.45 ± 0.825%, and also showed 45.01% site-specific activity (1000 μg ml−1, along with significant (P < 0.05 electron donation potential (50–2000 μg ml−1 compared to S2. Such activities of S1 could be attributed to the significantly (P < 0.05 higher levels of podophyllotoxin β-d-glucopyranoside (16.5 times and demethyl podophyllotoxin glucoside (2.9 times compared with S2. Together, these findings clearly prove that aryl-tetralin lignan content influences the radiation protective potential of the Podophyllum fractions to a great extent.

  9. Stereoselective Dynamic Cyclization of Allylic Azides: Synthesis of Tetralins, Chromanes, and Tetrahydroquinolines.

    Science.gov (United States)

    Porter, Matthew R; Shaker, Rami M; Calcanas, Cristian; Topczewski, Joseph J

    2018-01-10

    This report describes the stereoselective synthesis of 3-azido-tetralins, -chromanes, and -tetrahydroquinolines via a tandem allylic azide rearrangement/Friedel-Crafts alkylation. Exposure of allylic azides with a pendant trichloroacetimidate to catalytic quantities of AgSbF6 proved optimal for this transformation. This cascade successfully differentiates the equilibrating azide isomers, providing products in excellent yield and selectivity (>25 examples, up to 94% yield and >25:1 dr). In many cases, the reactive isomer is only a trace fraction of the equilibrium mixture, keenly illustrating the dynamic nature of these systems. We demonstrate the utility of this process via a synthesis of hasubanan.

  10. 8-hydroxy-2-(di-n-propylamino)tetralin reduces striatal glutamate in an animal model of Parkinson's disease.

    Science.gov (United States)

    Mignon, Laurence J; Wolf, William A

    2005-05-12

    Using in-vivo microdialysis, we examined the effect of the serotonin 5-HT1A agonist R-(+)-8-hydroxy-2-(di-n-propylamino)tetralin on striatal extracellular excitatory amino acids in an animal model of Parkinson's disease. Extracellular glutamate and aspartate in the dopamine-denervated striatum of unilateral 6-hydroxydopamine-lesioned rats were significantly decreased by acute subcutaneous injection of R-(+)-8-hydroxy-2-(di-n-propylamino) tetralin (0.3 mg/kg). Although not quantified in the present study, a concomitant increase in locomotor activity was anecdotally observed following R-(+)-8-hydroxy-2-(di-n-propylamino)tetralin. These results suggest that systemic administration of a 5-HT1A agonist can reduce glutamate neurotransmission in the dopamine-denervated striatum. The results are discussed with respect to the treatment of Parkinson's disease.

  11. Coal chemistry. 8. Reactions of tetralin with coal and with some carbon-14-containing model compounds

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    Collins, C.J.; Raaen, V.F.; Benjamin, B.M.; Maupin, P.H.; Roark, W.H.

    1979-08-15

    When coal was treated with tetralin-l-/sup 14/C at 400/sup 0/C, small yields of ..cap alpha..- and ..beta..-methylnaphthalenes-/sup 14/C were observed. In order to determine the mechanism of the reaction, tetralin was heated with /sup 14/C-labeled 1,3-diphenylpropanes (1), with 1,3-diphenylpropene (2), and with /sup 14/C-labeled phenetoles (3). In each case methylnaphthalenes were observed, and the origins of the methyl groups were determined with carbon-14. In addition to the methylnaphthalenes, 1 and 2 also yielded toluene and ethylbenzene (after 19 h), whereas phenetole-..beta..-/sup 14/C (3-..beta..-/sup 14/C) yielded toluene (unlabeled) plus ethyl-/sup 14/C-benzene, benzene, phenol, and a mixture of ..cap alpha..- and ..beta..-ethyl-/sup 14/C-naphthalenes. Crossover experiments with labeled phenetole and unlabeled ethyl p-tolyl ether proved the intramolecularity of the reaction phenetole ..-->.. toluene + ethylbenzene, thus illustrating a 1,2-phenyl shift from oxygen to carbon.

  12. The effect of moisture on the liquefaction of some Turkish coals in tetralin with microwave energy

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    Simsek, E.H.; Karaduman, A.; Togrul, T. [Ankara University, Ankara (Turkey). Dept. of Chemical Engineers

    2002-07-01

    The effect of the moisture content of coals, solvent/coal ratio, and the heating period by microwave energy on solubilization of Turkish coals (Bolu-Goynuk, Beypazari, Mugla-Yatagan, Tuncbilek, Aydin-Yeniceltek lignites, and Zonguldak coal) in tetralin has been investigated. The yields of tetrahydrofuran (THF) solubles and oils were increased with increasing moisture content of coals. When solvent/coal ratio increased from 2/1 to 4/1, the yield of oils increased. However, the yields of asphaltenes and preasphaltenes decreased. The yields of THF solubles and oils did not change considerably with reaction time. While the yields of asphaltenes and preasphaltenes decreased with reaction time at the value of 2/1 of solvent/coal ratio and increased with reaction time at the value of 4/1 of solvent/coal ratio, the yields are lower than at the value of 2/1 of solvent/coal ratio.

  13. Investigation of dissolution mechanisms of six Turkish coals in tetralin with microwave energy

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    Simsek, E.H.; Karaduman, A.; Olcay, A. [Ankara University, Ankara (Turkey). Chemical Engineering Department

    2001-12-05

    Rates of formation of oil, asphaltenes, and preasphaltenes during liquefaction of six Turkish coals in tetralin with microwave heating have been experimentally determined. Five reaction mechanisms have been proposed and tested to estimate the rates of formation of products. Proposed mechanisms are based on assumption that the reactions are irreversible and pseudo-first order with respect to the reacting species. Pseudo-first order rate constants for each of the indicated mechanistic steps have been calculated by multivariable non-linear regression analysis. The best fit between experimental data and models suggested was obtained from model 3 (this model suggests that oils, asphaltenes and preasphaltenes formed directly from coal) with Tuncbilek and Zonguldak, from model 4 (this model assumes oils to be produced directly from preasphaltenes in addition to being formed from coal according to model 3) with Mugla-Yatagan and Soma-Merkez, and from model 5 (this model describes conversion of coal tolsvent fraction products incorporating both series and parallel reactions) with Bolu-Goeynuek and Beypazari coals. The results indicated that the reaction mechanism of coal liquefaction depends on the coal type. 31 refs., 6 figs., 3 tabs.

  14. Progress toward the mechanical description and simulation of the pyrolysis of tetralin

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    Poutsma, M.L. [Oak Ridge National Laboratory, Oak Ridge, TN (United States). Chemical Sciences Division

    2002-08-01

    Kinetic and product distribution information for the pyrolysis of tetralin is reviewed and data for 23 selected low-conversion examples are compiled that cover a temperature range from 450-730{degree}C and a concentration range from 3.8 x 10{sup 0} to 6 x 10{sup -5} M (as well as one example in the shock-tube regime). A reaction network was formulated that involves 174 free-radical steps, 23 radicals, and 27 products. Estimated rate constants were assigned by thermochemical kinetic protocols. Predicted reaction dynamics were analyzed to understand the sources of unusual induction periods, autoacceleration kinetics, sigmoidally curved van't Hoff plots, strong dependence of product distributions on conditions, and sensitivity to 1.2-diohydronaphalene impurity. Multiple initiation, propagation, and termination pathways were deconvoluted. After modest adjustment of two rate constants, the average deviation of the predicted integral reaction rates from the experimental rates was only -0.07 log units ({sigma} = {+-}0.41, probably largely indicative of scatter in the date set). However, a significant discrepancy remains because the bulk of the data does not support the prediction of generic autoacceleration, which arises from the involvement of products in initiation. The major product distribution patterns were well reproduced, in particular the dominance of 1-methylindan among the ring-contraction products, the increases in both the dehydrogenation/ring-contraction ratio, and the 1,2-dihydronaphthalene/naphthalene ratio (at a given conversion level) with increasing concentration and/or increasing temperature, and the proportioning of the 'H' made available by dehydrogenation between major formation of H{sub 2} and minor operation of multiple stoichiometries for ring-opening and cracking. As currently formulated, the model does not accommodate a modest but nontrivial formation of indene observed under selected conditions. 136 refs., 8 figs., 12 tabs.

  15. Elucidation of hydrogen mobility in tetralin under coal liquefaction conditions using a tritium tracer method. Effects of the addition of H2S and H2O; Tritium tracer ho wo mochiita sekitan ekika hanno jokenka deno tetralin no suiso idosei hyoka. Ryuka suiso oyobi mizu no tenka koka

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    Kanbe, M.; Saito, M.; Ishihara, A.; Kabe, T. [Tokyo University of Agriculture and Technology, Tokyo (Japan)

    1996-10-28

    It was previously reported that the tritium tracer method is useful for the quantitative consideration of hydrogen behavior in coal during coal liquefaction reaction. Tetralin is excellent hydrogen donating solvent, and is considered as one of the model compounds of coal. In this study, effects of H2S and H2O on the hydrogen exchange reaction between tetralin and gaseous hydrogen labeled by tritium were investigated. It was suggested that the conversion of tetralin and the hydrogen exchange reaction between gaseous hydrogen and tetralin proceed through the radical reaction mechanism with a tetralyl radical as an intermediate product. When H2S existed in this reaction, the hydrogen exchange yield increased drastically without changing the conversion yield. This suggested that the hydrogen exchange reaction proceeds even in the reaction where radical does not give any effect. In the case of H2O addition, the conversion yield and hydrogen exchange rate decreased into a half or one-third. It was suggested that H2O inhibited the formation process of tetralyl radical. 6 refs., 4 figs.

  16. Enthalpy and phase behavior of coal derived liquid mixtures: Technical progress report for the period January-March 1987. [M-cresol/quinoline/tetralin ternary mixture

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1987-04-30

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid model compound mixtures. The objectives of this program are to study the enthalpy and phase behavior of a selected ternary model compound system, representative of interactions present in coal derived liquids. Measurements will be made in a Freon 11 reference fluid boil-off calorimeter, and an equilibrium flash vaporization apparatus. These experimental systems have already been developed. Previous studies have indicated that existing data and correlations developed for petroleum fluids are not applicable to coal derived liquids. This is due to the presence of significant concentrations of polar associating heteroatomics in the predominantly aromatic coal liquids. Thus, the ternary system will include an aromatic, a basic nitrogen compound, and a cresol. It is presently planned to study the m-cresol/quinoline/tetralin ternary mixture. Measurements will be made over a wide range of temperature (200 to 750/sup 0/F) and pressure (20 to 1500 psia), for the three pure compounds, the three binary mixtures and selected compositions of the ternary. Both enthalpy and phase behavior measurements will be made. This set of data will be useful as a standard for fitting and evaluating thermodynamic correlations and equations of state that are applicable to associating fluid mixtures, and thus to coal derived liquids. In particular we will attempt to fit both the enthalpy and phase behavior data with a single equation of state using local composition mixing rules and common interaction parameters. During the eleventh quarter, enthalpy measurements have been obtained for the ternary mixtures of m-cresol/quinoline/tetralin with molar ratios 2/3:1/6:1/6 and 1/6:2/3:1/6 m-cresol:quinoline:tetralin. The results are presented in Appendix A. The project has progressed very will during this quarter, and the enthalpy measurements have been completed. 2 refs., 2 figs., 2 tabs.

  17. Microbial transformation of tetralin

    NARCIS (Netherlands)

    Sikkema, J.

    1993-01-01

    Biocatalytic oxidation of cyclic hydrocarbons has many potential applications in the production of fine chemicals. Especially regioselective hydroxylation of aromatics and the stereospecific formation of secondary alcohols is of interest for the pharmaceutical and flavoring industries.

  18. Effect of demineralization process on the liquefaction of Turkish coals in tetralin with microwave energy: Determination of particle size distribution and surface area

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    Emine Yagmur; Emir H. Simsek; Zeki Aktas; Taner Togrul [Ankara University, Ankara (Turkey). Engineering Faculty, Chemical Engineering Department

    2005-12-01

    The effects of solvent/coal (S/C) ratio and demineralization on the solubilization of Turkish coals (Tuncbilek, Mugla-Yatagan, Beypazari lignites and Zonguldak bituminous coal) in tetralin by microwave energy have been investigated. Particle size distributions and the surface area of the coals decreased with demineralization. For the investigation of the effect of the S/C ratios with values of 8/1, 10/1 and 12/1, the coal samples were heated by microwave energy for 20 min. The result indicated that the optimum S/C ratio was 8/1. The effect of microwave heating period was investigated at this value and the heating period was changed from 5 to 20 min at 5-min intervals. It was found that THF solubles yields of original coals were higher than those for demineralized coal except for Mugla-Yatagan lignite. 33 refs., 5 figs., 5 tabs.

  19. Well-dispersed Ni nanoclusters on the surfaces of MFI nanosheets as highly efficient and selective catalyst for the hydrogenation of naphthalene to tetralin

    Science.gov (United States)

    Gong, Pengyu; Li, Baoshan; Kong, Xianglong; Liu, Jianjun; Zuo, Shengli

    2017-11-01

    One of the challenges in material science has been to design and prepare highly efficient and selective catalysts for target reactions. Here we demonstrate a one-pot hydrothermal synthesis of hierarchical MFI nanosheets with nickel species chemically bonded on the outer surfaces. It turns out that the growth and morphologies of self-pillared MFI nanosheets are affected by Ni content, and the thickness of MFI nanosheets are determined to be 2.3 nm or 3.0 nm. Specially, the bonded Ni on the outer surfaces can effectively prevent adjacent nanosheets from forming new Sisbnd Osbnd Si bonds, and in conjunction with the self-pillared structure, can hamper complete collapse of Ni-MFI-NSs during calcination. In naphthalene hydrogenation, the separated Ni species are previously reduced to highly-dispersed metallic Ni nanoclusters with size below 1.6 nm, which are highly active for hydrogenation. And the hierarchical porosity of Ni-MFI-NSs significantly enhances the diffusion of substrates and the accessibility of active sites. As a result, Ni-MFI-NSs achieve 100% selectivity for tetralin and 84.9% conversion of naphthalene with Ni content of only 4.2 wt%. Furthermore, the gradually enlarged Ni nanoparticles cause the decline of catalytic activities of catalysts.

  20. Effect of sulfur or hydrogen sulfide on initial stage of coal liquefaction in tetralin; Sekitan ekika shoki katei ni okeru io to ryuka suiso no hatasu yakuwari

    Energy Technology Data Exchange (ETDEWEB)

    Nakada, M. [Government Industrial Research Institute, Kyushu, Saga (Japan)

    1996-10-28

    It is well known that the solubilization of coal can be accelerated by adding sulfur or hydrogen sulfide during direct liquefaction of difficult coals. From the studies of authors on the coal liquefaction under the conditions at rather low temperatures between 300 and 400{degree}C, liquefaction products with high quality can be obtained by suppressing the aromatization of naphthene rings, but it was a problem that the reaction rate is slow. For improving this point, results obtained by changing solvents have been reported. In this study, to accelerate the liquefaction reaction, Illinois No.6 coal was liquefied in tetralin at temperature range from 300 to 400{degree}C by adding a given amount of sulfur or hydrogen sulfide at the initial stage of liquefaction. The addition of sulfur or hydrogen sulfide provided an acceleration effect of liquefaction reaction at temperature range between 300 and 400{degree}C. The addition of sulfur or hydrogen sulfide at 400{degree}C increased the oil products. At 370 and 400{degree}C, the liquid yield by adding sulfur was slightly higher than that by adding hydrogen sulfide, unexpectedly. The effects of sulfur and hydrogen sulfide were reversed when increasing the hydrogen pressure. 5 figs., 1 tab.

  1. The effects of 8-hydroxy-2-(di-n-propylamino)tetralin and other serotonergic agonists on performance in a radial maze: a possible role for 5-HT1A receptors in memory.

    Science.gov (United States)

    Winter, J C; Petti, D T

    1987-08-01

    A group of ten rats was trained to obtain food pellets in an 8-arm radial maze. The effects of pretreatment with (+)-Lysergic acid diethylamide (+)-tartrate (LSD), m-trifluoromethylphenylpiperazine (TFMPP), 5-methoxy-N,N-dimethyltryptamine oxalate (5-MeO-DMT), racemic 8-hydroxy-2-(di-n-propylamino)tetralin HBr (8-OH-DPAT), and 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole succinate (RU 24969) were then evaluated. All drugs were administered IP 15 min before testing. With the exception of an increased rate of responding at a dose of 0.1 mg/kg of 8-OH-DPAT, all drugs produced a dose-related decline in response rate. In addition, LSD, RU 24969, and 8-OH-DPAT caused a statistically significant decrease in efficiency of responding. Of the three, 8-OH-DPAT was clearly the most active. Doses of 0.3, 1.0, and 3.0 mg/kg resulted in efficiencies of 61%, 53%, and 44%, respectively. The present results taken in light of 8-OH-DPAT's preferential binding to 5-HT1A receptors, the high density of these receptors in hippocampus, and the observation that the number of 5-HT1A receptors is decreased in Alzheimer's disease, suggest a possible role for this serotonergic receptor subtype in memory.

  2. Enthalpy and phase behavior of coal derived liquid mixtures: Final technical report. [Tetralin/m-cresol/quinoline

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.; Flanigan, D.A.; Niesen, V.G.; DiGiacinto, S.S.; Joyce, T.P.; Yanaki, J.S.

    1988-04-15

    Measurements were made in a Freon 11, reference fluid, boil-off calorimeter, and an equilibrium flash vaporization apparatus, experimental systems which had already been developed. Previous studies had indicated that existing data and correlations developed for petroleum fluids are not applicable to coal derived liquids. This was due to the presence of significant concentrations of polar associating heteroatomics in the predominantly aromatic coal liquids. Thus, the ternary system was selected to include an aromatic, a basic nitrogen compound, and a cresol. Measurements were made over a wide range of temperature (200 to 700/degrees/) and pressure (20 to 1500 psia), for the three pure compounds, the three binary mixtures and selected compositions of the ternary. Both enthalpy and phase behavior measurements were made. This set of data will be useful as a standard for fitting and evaluating thermodynamic correlations and equations of state that are applicable to associating fluid mixtures, and thus to coal derived liquids. In addition efforts were and continue to be made at developing equation of state correlations which are applicable to these highly nonideal mixtures. 46 refs., 43 figs., 41 tabs.

  3. Effects of chronic paroxetine pretreatment on (+/-)-8-hydroxy-2-(di-n-propyl-amino)tetralin induced c-fos expression following sexual behavior.

    NARCIS (Netherlands)

    Jong, T.R. de; Pattij, T.; Veening, J.G.; Dederen, P.J.W.C.; Waldinger, M.D.; Cools, A.R.; Olivier, B.

    2005-01-01

    Chronic treatment with the selective serotonin reuptake inhibitor paroxetine impairs the functioning of 5-HT(1A) receptors involved in ejaculation. This could underlie the development of delayed ejaculation often reported by men treated with paroxetine. The neurobiological substrate linking the

  4. Antagonism by 8-hydroxy-2(di-n-propylamino)tetraline and other serotonin agonists of muscarinic M1-type receptors coupled to inositol phospholipid breakdown in human IMR-32 and SK-N-MC neuroblastoma cells

    Energy Technology Data Exchange (ETDEWEB)

    Fowler, C.J. (Astra Research Centre AB, Soedertaelje (Sweden) Karolinska Institutet (Sweden)); Ahlgren, P.C. (Karolinska Institutet (Sweden)); O' Neill, C. (Huddinge Univ. Hospital (Sweden))

    1991-01-01

    IMR-32 and SK-N-MC cells were found to contain ({sup 3}H)quinuclidinyl benzilate specific binding sites inhibited by pirenzepine in a manner suggesting the presence of both M1-type and M2-type muscarinic receptor recognition sites. Neither cell had detectable ({sup 3}H)8-OH-DPAT binding sites. Carbachol stimulated the rate of inositol phospholipid breakdown in IMR-32 and SK-N-MC human neuroblastoma cells with an EC{sub 50} value of about 50 {mu}M in both cases. Pirenzepine inhibited the carbachol stimulated inositol phospholipid breakdown in both cells with Hill slopes of unity and IC{sub 50} values of 15 nM (IMR-32) and 12 nM (SK-N-MC). The 5-HT{sub 1A} receptor agonist 8-OH-DPAT competitively inhibited carbachol-stimulated inositol phospholipid breakdown with pA{sub 2} values of 5.78 (IMR-32) and 5.61 (SK-N-MC). The 5-HT agonists 5-MeODMT and buspirone at micromolar concentrations inhibited carbachol-stimulated breakdown in IMR-32 cells. The inhibition by 8-OH-DPAT and 5-MeODMT was not affected by preincubation with (-)alprenolol. 5-HT was without effect on either basal or carbachol-stimulated breakdown. It is concluded that IMR-32 and SK-N-MC neuroblastoma cells express muscarinic M1-type but not serotoninergic receptors coupled to phosphoinositide-specific phospholipase C. 8-OH-DPAT acts as a weak antagonist at these muscarinic receptors.

  5. Catalysis of SO{sub 4}{sup 2-}/ZrO{sub 2} in the reactions of coal-related model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Zhicai Wang; Zushan Wang; Hengfu Shui; Zhiping Lei; Shibiao Ren; Shigang Kang; Yanni Zhu [Anhui University of Technology, Ma' anshan (China). School of Chemistry and Chemical Engineering

    2010-09-15

    In this paper, diphenylmethane, bibenzyl, phenetole and diphenyl ether were used as coal-related model compounds (CRMCs) to study the catalysis of SO{sub 4}{sup 2-}/ZrO{sub 2} in the process of coal liquefaction. Based on the reaction kinetics of CRMCs in tetralin and identification of reaction products, the catalytic mechanisms of SO{sub 4}{sup 2-}/ZrO{sub 2} for CRMCs were discussed. The results indicate that the CRMCs were mainly hydrocracked by SO{sub 4}{sup 2-}/ZrO{sub 2}. The conversion of tetralin solvent increased with the reactivity of CRMC. Reactions of tetralin mainly included hydrocracking, isomerization, alkylation and hydrogenation/dehydrogenation. A cationic reaction mechanism was proposed, which can successfully interpret the reaction of CRMCs and tetralin catalyzed by SO{sub 4}{sup 2-}/ZrO{sub 2}. 35 refs., 3 figs., 4 tabs.

  6. Effects of solvent and catalysts on the hydrogenolysis of alkylnaphthalenes; Alkylnaphthalene no suisoka bunkai ni okeru yobai to shokubai no koka

    Energy Technology Data Exchange (ETDEWEB)

    Futamura, S. [National Institute for Resources and Environment, Tsukuba (Japan)

    1996-10-28

    Catalytic effects of metal and carbon materials, which promote hydrogen transfer from hydrogen donor solvents, are investigated during hydrogenolysis of benzyl-1-methylnaphthalenes (BMN) selected as a hydrogen acceptor. For the isomer distribution of BMN after the reaction, almost the same molecular ratio before the reaction was obtained independent of the presence of catalysts. Selectivity of position during the addition of hydrogen atoms from tetralin was not found. For the reaction of BMN in tetralin, 1-methylnaphthalene and toluene were obtained as products, but the formation of benzylnaphthalene was not found. As for the nuclear hydride of BMN, the trace amount formation was confirmed by gas chromatography. For the hydrogen transfer from tetralin progressed catalytically, it was found that the nuclear of naphthalene can not be hydrogenated easily. This was considered to be due to the obstruction of hydrogen transfer from tetralin by the strong adsorption of BMN on the Ni surface. 1 ref., 1 fig., 2 tabs.

  7. Producing ashless coal extracts by microwave irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ozgur Sonmez; Elife Sultan Giray [Mersin University, Mersin (Turkey). Department of Chemistry

    2011-06-15

    To produce ashless coal extracts, three Turkish coals were extracted with N-methyl-2-pyrrolidinone (NMP), NMP/ethylenediamine (EDA) (17/1, vol/vol) mixture and NMP/tetralin (9/1, vol/vol) mixture through thermal extraction and microwave extraction. Solvent extraction by microwave irradiation (MI) was found to be more effective than that by thermal extraction. Extraction yield of coals in NMP enhanced by addition of a little EDA, but tetralin addition showed variances according to extraction method used. While tetralin addition caused a decrease in the thermal extraction yield, it increased the yield of the extraction by MI. Following the extraction, the solid extracts were produced with ash content ranging from 0.11% to 1.1%. Ash content of solid extract obtained from microwave extraction are less than ash contents of solid extracts obtained from thermal extraction. 34 refs., 7 figs., 5 tabs.

  8. Alternative fuel production by catalytic hydroliquefaction of solid municipal wastes, primary sludges and microalgae.

    Science.gov (United States)

    Lemoine, F; Maupin, I; Lemée, L; Lavoie, J-M; Lemberton, J-L; Pouilloux, Y; Pinard, L

    2013-08-01

    An alternative fuel production was investigated through catalytic hydroliquefaction of three different carbonaceous sources: solid municipal wastes (MW), primary sludges (PS), and microalgae (MA). The reaction was carried out under hydrogen pressure, at different temperatures (330, 380 and 450°C), with a Raney nickel catalyst and two different hydrogen donor solvents: a "fossil solvent" (tetralin) and a "green solvent" (2-methyl-hydro-furan). The feeds analyses (TDA-TGA, ICP-AES, lipids quantification) showed that MW and PS had similar characteristics and physico-chemical properties, but different from those of MA. The hydroliquefaction of these feeds allowed to obtain high oil yields, with a significant energetic value, similar to that of a bio-petroleum. 2-methyl-hydro-furan was more efficient than tetralin for the treatment of the strongly bio-degraded biomasses MW and PS, while better results were obtained with tetralin in the case of MA. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, April-June 1986

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1986-07-31

    Enthalpy measurements for the m-cresol/tetralin binary system, and the quinoline/tertralin binary system have been completed and are included. A calibration check on the calorimeter was performed and is presented in Appendix C. Vapor liquid equilibria measurements for the quinoline/tetralin system have been completed for four isotherms; 250, 275, 300, and 325/sup 0/C. These results and a summary of progress to date for the VLE apparatus are in the appendix at the end of this report. Also, preliminary work has begun on the quinoline/m-cresol/tetralin ternary system. Correlational work has consisted of the development of mathematical expressions for fugacity and enthalpy using various combinations of mixing rules and equations of state discussed in earlier reports. Also maximum likelihood routines has been written to determine the necessary parameters for binary data obtained in this investigation.

  10. Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, April-June 1985

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1985-07-31

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid model compound mixtures. During the fourth quarter enthalpy measurements and a preliminary analysis on tetralin data were completed. A new pump was installed eliminating the need for a pressure adjuster in the pressure system. This pump provides pulse free flow even at a pressure of 1500 psia. During the next quarter, measurements on the binary system m-cresol/tetralin will begin. Vapor liquid equilibria measurements for the m-cresol/quinoline system have begun for four isotherms. Preliminary results have been included in this report. These measurements will be completed in the next quarter and work will be started on the m-cresol/tetralin system. 12 refs., 5 figs., 4 tabs.

  11. Combustion efficiency and altitude operational limits of three liquid hydrocarbon fuels having high volumetric energy content in a J33 single combustor

    Science.gov (United States)

    Stricker, Edward G

    1950-01-01

    Combustion efficiency and altitude operational limits were determined in a J33 single combustor for AN-F-58 fuel and three liquid hydrocarbon fuels having high volumetric energy content (decalin, tetralin, and monomethylnaphthalene) at simulated altitude and combustor inlet-air conditions. At the conditions investigated, the combustion efficiency for the four fuels generally decreased with an increase in volumetric energy content. The altitude operational limits for decalin and tetralin fuels were higher than for AN-F-58 fuel; monomethylnaphthalene fuel gave the lowest altitude operational limit.

  12. Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, January-March 1986

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1986-04-30

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid model compound mixtures. During the seventh quarter, preliminary enthalpy measurements for the 5/6:1/6 m-cresol/tetralin binary mixture have been completed and are included in Appendix A at the end of this report. Vapor liquid equilibria VLE measurements for the m-cresol/tetralin system have been completed for four isotherms; 250, 275, 300, 325/sup 0/C. These results and a summary of progress to date for the VLE apparatus are in the appendix at the end of this report. 10 refs., 15 figs., 6 tabs.

  13. Molecular modeling of the dopamine D-2 and serotonin 5-HT1A receptor binding modes of the enantiomers of 5-OMe-BPAT

    NARCIS (Netherlands)

    Homan, EJ; Wikstrom, HV; Grol, CJ

    Molecular modeling studies were undertaken in order to elucidate the possible dopamine D-2 and serotonin 5-HT1A receptor binding modes of the enantiomers of 5-methoxy-2-[N-(2-benzamidoethyl)-N-n-pylamino]tetralin (5-OMe-BPAT, 1). For this purpose, a combination of indirect molecular modeling and

  14. A novel low molecular weight chiral gelator for apolar organic solvents

    NARCIS (Netherlands)

    Snijder, Carina S.; Jong, Johannes C. de; Meetsma, Auke; Bolhuis, Fré van; Feringa, Bernard

    1995-01-01

    The synthesis, molecular structure, and properties of a new chiral gel-forming agent 1 are described. Key structural features in 1 are a gamma-alkoxybutyrolactone tetralin moiety and an angular phenylsulphone unit. The new low molecular weight gelator 1 can reversibly form stable gels in low

  15. 311-IJBCS-Article-P M Kanyonga

    African Journals Online (AJOL)

    Dr Gatsing

    propylamino)-tetralin in the elevated T-maze. European Journal of. Pharmacology, 369: 267-270. Zellou A, Cherrah Y, Essassi EM, Hassar. M. 1998. Synthèse et étude pharma- cologique des 1,5-benzodiazepine-2- diones et leurs dérivés ...

  16. Development of Army High-Energy Fuel for Diesel/Turbine-Powered Surface Equipment. Phase II

    Science.gov (United States)

    1981-12-01

    o....... . . . . . . .. . . . . . . . ....... 34 5. Furfural Extract ..................... 34 D. FUEL PREPARATION AND CHARACTERIZATION WITH SOLID...Tetralin) .... .................. ..to. 16 5. Extract From Furfural Unit*............................ 17 69 SRC-1 ... ..... 18 7. Polycyclic Aromatic...16 7 Properties of Furfural Extract - ................... 17 8 Properties of SRC-II (2.9 to 1, Middle Distillate to Heavy

  17. Adrenaline release by the 5-HT1A receptor agonist 8-OH-DPAT is partly responsible for pituitary activation

    NARCIS (Netherlands)

    Korte, S.M; Buwalda, B; Bohus, B.G J; de Kloet, E.R

    1996-01-01

    In male Wistar rats the effect of adrenalectomy on pituitary activation by the 5-HT1A receptor agonist. 8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT), was studied. Rats were injected intravenously with 8-OH-DPAT (0.10 mg/kg) in their home cages. Blood samples were withdrawn from freely moving

  18. C5-substituted derivatives of 5-OMe-BPAT : Synthesis and interactions with dopamine D-2 and serotonin 5-HT1A receptors

    NARCIS (Netherlands)

    Homan, EJ; Tulp, MTM; Nilsson, JE; Wikstrom, HV; Grol, CJ

    1999-01-01

    Eight new C5-substituted derivatives of the potential atypical antipsychotic agent 5-methoxy-2-[N-(2-benzamidoethyl)-N-n-propylamino]tetralin (5-OMe-BPAT, 1) have been prepared by chemical conversion of the 5-trifluoromethylsulfonyloxy (triflate) analogue 4 via various Stille-type cross-couplings, a

  19. Central 5-HT(1A) receptors and the mechanism of the central hypotensive effect of (+)8-OH-DPAT, DP-5-CT, R28935, and urapidil

    NARCIS (Netherlands)

    Doods, H.N.; Boddeke, H.W.G.M.; Kalkman, H.O.; Hoyer, D.; Mathy, M.-J.; Van Zwieten, P.A.

    1988-01-01

    This study investigated the central hypotensive effects of drugs that possess a high affinity for central 5-hydroxytryptamine (5-HT(1A)) binding sites; (+)8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT), N,N-dipropylcaboxamidotryptamine (DP-5-CT),

  20. Hydrogen Transfer during Liquefaction of Elbistan Lignite to Biomass; Total Reaction Transformation Approach

    Science.gov (United States)

    Koyunoglu, Cemil; Karaca, Hüseyin

    2017-12-01

    Given the high cost of the tetraline solvent commonly used in liquefaction, the use of manure with EL is an important factor when considering the high cost of using tetraline as a hydrogen transfer source. In addition, due to the another cost factor which is the catalyst prices, red mud (commonly used, produced as a byproduct in the production of aluminium) is reduced cost in the work of liquefaction of coal, biomass, even coal combined biomass, corresponding that making the EL liquefaction an agenda for our country is another important factor. Conditions for liquefaction experiments conducted for hydrogen transfer from manure to coal; Catalyst concentration of 9%, liquid/solid ratio of 3/1, reaction time of 60 min, fertilizer/lignite ratio of 1/3, and the reaction temperature of 400 °C, the stirred speed of 400 rpm and the initial nitrogen pressure of 20 bar was fixed. In order to demonstrate the hydrogen, transfer from manure to coal, coal is used solely, by using tetraline (also known as a hydrogen carrier) and distilled water which is not hydrogen donor as a solvent in the co-liquefaction of experiments, and also the liquefaction conditions are carried out under an inert (N2) gas atmosphere. According to the results of the obtained liquefaction test; using tetraline solvent the total liquid product conversion percentage of the oil + gas conversion was 38.3 %, however, the results of oil+gas conversion obtained using distilled water and EL combined with manure the total liquid product conversion percentage was 7.4 %. According to the results of calorific value and elemental analysis, only the ratio of (H/C)atomic of coal obtained by using tetraline increased with the liquefaction of manure and distilled water. The reason of the increase in the amount of hydrogen due to hydrogen transfer from the manure on the solid surface of the coal, and also on the surface of the inner pore of the coal during the liquefaction, brings about the evaluation of the coal as a

  1. Determination of N-methylpyrrolidone in lubricating oil samples by g. c

    Energy Technology Data Exchange (ETDEWEB)

    Bhagat, S.D.; Aswal, D.S.; Badoni, R.P.

    1989-06-01

    A rapid gas chromatographic procedure has been developed for quantitative estimation of N-methyl-2-pyrrolidone (NMP) in extract and raffinate phases of lubricating oil extraction processes. Column backflush technique or lubricating oil trap devices were the two approaches used to avoid the interference of lube hydrocarbons with the normal analysis of NMP. The proposed method is based on an internal standardization technique applying tetralin as a reference compound. NMP content was determined from the calibration curve drawn with known weight ratios of NMP and tetralin against the corresponding area ratios. Carbowax 20 M was found to be the best analytical column for separation and quantitation work, whereas a non-polar phase OV-101 was used as lube retainer. FID and TCD systems were employed to cover a wide concentration range from traces to high percentages of NMP. 8 refs., 2 figs., 2 tabs.

  2. Performance of La,Ce-modified alumina-supported Pt and Ni catalysts for the oxidative reforming of diesel hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez-Galvan, M.C.; Navarro, R.M.; Fierro, J.L.G. [Instituto de Catalisis y Petroleoquimica (CSIC), Marie Curie 2, Cantoblanco E-28049, Madrid (Spain); Rosa, F. [Centro de Experimentacion de ' ' El Arenosillo' ' (CEDEA), Instituto Nacional de Tecnica Aeroespacial (INTA), E- 21130 Mazagon-Moguer, Huelva (Spain); Briceno, Y. [CIDAUT, Parque Tecnologico Boecillo, Valladolid (Spain); Gordillo Alvarez, F. [Escuela Superior de Ingenieros, Sevilla (Spain)

    2008-01-15

    Platinum and nickel phases deposited on alumina modified with lanthanum and cerium oxides have been used in the oxidative reforming of hexadecane, decalin and tetralin, hydrocarbons selected as surrogates for the paraffin, cycloparaffin and aromatic fractions present in diesel fuel. Activity results showed that reforming capacity depends on the type of active phase as well as on the reactant molecule. Ni catalyst recorded a greater hydrogen production than Pt counterpart for all feeds. The higher activity for decalin is attributed to the more labile tertiary carbons of this molecule, and the lower activity for tetralin, to the higher bond dissociation energy of the aromatic C-C and C-H bonds. The characterization results (obtained by TPR and XPS) revealed a greater active metal-ceria interface in Ni catalyst which may have a role regarding its better catalytic performance and higher intrinsic activity for hydrogen production, as well as the lesser coke deposition. (author)

  3. Effect of aromatic solvents in coal liquefaction: residence-time studies

    Energy Technology Data Exchange (ETDEWEB)

    Grint, A.; Jackson, W.R.; Larkins, F.P.; Louey, M.B.; Marshall, M.; Trewhella, M.J.; Watkins, I.D. [Monash University, Clayton, Vic. (Australia). Dept. of Chemistry

    1994-03-01

    The effect of adding polycondensed aromatic solvents on the liquefaction of a lignite and a bituminous coal was investigated, using a time-sampled reactor system that can rapidly charge reactants into a preheated autoclave and then sample its contents throughout the course of reaction. For both coals, addition of the aromatic solvents significantly increased conversion. The order of effectiveness in the presence of decalin + tetralin was: tetralin {lt} phenanthrene {lt} anthracene/dihydroanthracene {lt} pyrene. The main effect of these solvents on liquefaction behaviour was to increase the oil yield almost immediately after hot-charging of the coal at 425{degree}C. The solvents also reduced the formation of a plastic phase from the bituminous coal. The mechanistic implications of these results are discussed. 22 refs., 7 figs., 1 tab.

  4. Condensation of phenolic groups during coal liquefaction model compound studies

    Energy Technology Data Exchange (ETDEWEB)

    Trewhella, M.J.; Grint, A.

    1988-08-01

    The pyrolysis of 1-naphthol in nitrogen and hydrogen, with and without a donor solvent, has been studied. The results show that in the absence of a source of donatable hydrogen, phenolic groups can condense at around 450 degrees C to form fused furan type structures. The presence of a hydrogen donor (e.g. tetralin) or, to a lesser extent, gaseous hydrogen, eliminates this reaction. In the condensation reaction of 1-naphthol to dibenzofuran, the inhibition by tetralin and the product distribution were, in all cases, consistent with a mechanism involving the generation of free radicals via a bimolecular hydrogen atom transfer reaction. This is distinctly different from other commonly accepted radical production mechanisms involved in coal liquefaction or pyrolysis. The implications for low-rank coal hydroliquefaction are discussed in the light of these findings. 3 refs., 3 figs., 2 tabs.

  5. Enthalpy and phase behavior of coal derived liquid mixtures: Technical progress report for the period October-December 1986

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1987-01-01

    The objectives of this program are to study the enthalpy and phase behavior of a selected ternary model compound system, representative of interactions present in coal derived liquids. Measurements have been made in a Freon 11 reference fluid-boil-off calorimeter, and an equilibrium flash vaporization apparatus. During the tenth quarter, enthalpy measurements for the m-cresol/quinoline/tetralin ternary system have been initiated and are included in Appendix A. Vapor liquid equilibria measurements for the m-cresol/quinoline/tetralin ternary system have been completed for four isotherms: 250, 275, 300, 325/sup 0/C, at various pressures. These results and a summary of progress to date for the VLE apparatus are in Appendix B. Also, predictions for the ternary system using the binary interaction parameters generated from previously obtained binary data were completed, and these results are also presented in Appendix B.

  6. Preparation of molybdenum-doped akaganeite nano-rods and their catalytic effect on the viscosity reduction of extra heavy crude oil

    Science.gov (United States)

    Zhao, Kai; Wang, Xiaodong; Pan, Hui; Li, Qiuye; Yang, Jianjun; Li, Xiaohong; Zhang, Zhijun

    2018-01-01

    Molybdenum-doped akaganeite nano-rods were prepared by one step facile synthesis. The formation of akaganeite depends on the molar ratio of hexaammonium molybdate to ferric chloride hexahydrate. The nano-rods have an average particle size of ca. 30 nm and disperse uniformly. As a catalyst, the nano-rods can effectively increase the viscosity reduction rate of Shengli Oilfield extra heavy crude oil (175000 mPa s at 50 °C), especially combined with tetralin (a hydrogen donor). The results of SARA analysis, elemental analysis, and 1H NMR spectra indicate that the increase of light component caused by the denitrification and desulfuration of the catalyst plus tetralin as well as the loosening of heavy component molecules can be responsible for the viscosity reduction of the heavy oil.

  7. Computational and Experimental Study of the Structure of Diffusion Flames of Jet Fuel and Its Surrogates at Pressures up to 40 ATM

    Science.gov (United States)

    2012-11-21

    histories . A variety of liquid fuels are then prevaporized and introduced in such environments either individually or in combination as a...n-tetradecane, iso- octane ), some cyclic compounds (methyl-cylcohexane), and some aromatics (toluene, m-xylene, 1,2,4-trimethylbenzene, tetralin...stoichiometric mixture fractions (zf = 0.18) and strain rates (a= 92 s-1), resulting in a well-defined and fixed temperature/time history for all. By

  8. Mechanism of cobalt(II) porphyrin-catalyzed C−H amination with organic azides: radical nature and H-atom abstraction ability of the key cobalt(III)-nitrene intermediates

    NARCIS (Netherlands)

    Lyaskovskyy, V.; Olivos Suarez, A.I.; Lu, H.; Jiang, H.; Zhang, X.P.; de Bruin, B.

    2011-01-01

    The mechanism of cobalt(II) porphyrin-catalyzed benzylic C-H bond amination of ethylbenzene, toluene, and 1,2,3,4-tetrahydronaphthalene (tetralin) using a series of different organic azides [N3C(O)OMe, N3SO2Ph, N3C(O)Ph, and N3P(O)(OMe)2] as nitrene sources was studied by means of density functional

  9. Effects of petrographic composition and sulphur in liquefaction of Spanish lignites

    Energy Technology Data Exchange (ETDEWEB)

    Cebolla, V.L.; Martinez, M.T.; Miranda, J.L.; Fernandez, I. (Instituto de Carboquimica, Zaragoza (Spain))

    1991-01-01

    The behaviour in hydroliquefaction (H{sub 2}), tetralin, 400{degree}C of four Spanish lignites with different petrographic composition and a similar ash content was studied and the nature of the derived oils was evaluated. Vitrinite and/or vitrinite plus exinite contents and percentages of total and organic sulphur correlate with conversion yields. Macerals composition does not appear to influence the nature of the derived oils. 22 refs., 3 figs., 8 tabs.

  10. The Mark-Houwink-Sakurada Equation for the Viscosity of Linear Polyethylene

    Science.gov (United States)

    Wagner, Herman L.

    1985-04-01

    In this review, the parameters K and α found in the literature for the Mark-Houwink-Sakurada equation relating viscosity to molecular weight have been critically evaluated for linear polyethylene, and values have been recommended for six commonly used solvents. These are decalin, 1,2,4-tricholorobenzene, 1-chloronaphthalene, tetralin, o-dichlorobenzene, and p-xylene. In addition, the literature values of K for several different theta solvents are presented.

  11. Advanced direct liquefaction concepts for PETC generic units. Quarterly technical progress report, October 1992--December 1992

    Energy Technology Data Exchange (ETDEWEB)

    1993-02-01

    The reactivity of the THF insoluble fraction of the ashy resid component of Wilsonville recycle oil (WRO) during liquefaction of Black Thunder coal in tetralin was determined at 415{degrees}C and 60 minutes. The liquefaction runs were made by combining this material with Black Thunder coal at the same ratio used in the WRO coal runs. THF conversion and product distribution from liquefaction in tetralin in the presence of the THF insoluble fraction of the ashy resid were similar to results from liquefaction in WRO. THF conversion was greater than loot with an oil yield that was somewhat higher than in WRO. Differences in HC gas yield and H{sub 2} consumption were slight, while conversion and product distribution from liquefaction of Black Thunder coal in tetralin or in the WRO distillate were quite different. In both these solvents the 85--86% THF conversions were less than for runs in which the THF insoluble fraction of the ashy resid was present. This establishes that the THF insoluble fraction of the ashy resid is the reactive fraction of the WRO.

  12. Effect of the solvent used to prepare the photoactive layer on the performance of inverted bulk heterojunction polymer solar cells

    Science.gov (United States)

    Kuwabara, Takayuki; Kuzuba, Mitsuhiro; Emoto, Natsumi; Yamaguchi, Takahiro; Taima, Tetsuya; Takahashi, Kohshin

    2014-02-01

    The initial performance and subsequent degradation of inverted polymer solar cells [indium-tin oxide/titanium oxide (TiOx)/[6,6]-phenyl C61 butyric acid methyl ester (PCBM): regioregular poly(3-hexylthiophene) (P3HT)/poly(3,4-ethylenedioxylenethiophene):poly(4-styrene sulfonic acid)/Au, TiOx cell] are studied by photocurrent-voltage measurements as well as ac impedance spectroscopy (IS) and carrier mobility measurements. The TiOx cells containing a P3HT:PCBM layer prepared from a solution of chlorobenzene (CB) showed a maximum power conversion efficiency (PCE) of 2.23%. In contrast, the TiOx cells containing a P3HT:PCBM layer prepared from a solution of 1,2,3,4-tetrahydronaphthalene (tetralin) containing 2 vol % 1,8-octanedithiol (ODT) exhibited a maximum PCE of 2.92%. However, after exposure to light irradiation for 100 h, the maximum PCE of the tetralin:ODT cell decreased to 68% of its initial value. On the other hand, over 96% of the maximum PCE was maintained in the CB cell after 100 h of irradiation. The IS measurement results suggest that the degradation of the Tetralin:ODT cell was caused by a morphological change of the P3HT:PCBM layer that made efficient photoinduced charge separation difficult.

  13. Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, October-December 1985

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1986-01-31

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid model compound mixtures. During the sixth quarter, preliminary enthalpy measurements for the 1/3:2/3, 1/2:1/2, 2/3:1/3 m-cresol tetralin binary mixtures have been completed and are included in a section at the end of this report. Vapor liquid equilibria measurements for the m-cresol/tetralin system are in progress for four isotherms. Tetralin vapor pressures are reported in this report from both the VLE apparatus and the calorimeter. In addition, ongoing research into the modeling of polar systems has led to an approach for modifying the Soave equation of state. This equation of state introduces a polar parameter which appears to be related to the expected strength of polar interactions for different compounds. The appendix contains the paper on this work titled ''Approach for extending Van de Waals equations of state for polar, hydrogen bonding fluids applied to the Soave equation of state''. This article has been processed separately for inclusion in the Energy Data Base.

  14. Coal anion structure and chemistry of coal alkylation. Final report, March 1, 1979-February 29, 1980

    Energy Technology Data Exchange (ETDEWEB)

    Stock, L.M.

    1980-01-01

    In accord with Task 1, some ether cleavage reactions were carried out in two different media - potassium/naphthalene/tetrahydrofuran and potassium/ ammonia - so that the merits and demerits of the two methods could be compared. Preliminary results suggest that both systems yield the same products, and that the ammonia medium is more convenient to work with, because of the absence of by-products such as reduced naphthalenes and tetralin. Dialkyl ethers were found to be least reactive compounds while the benzyl and phenyl ethers were found to be most reactive, as would be expected. The reductive alkylation of coal was carried out in ammonia at 25/sup 0/C. The tetrahydrofuran solubility of the reaction product was surprisingly low. We have obtained additional /sup 13/C)/sup 1/H) nmr data for tetrahydrofuran-soluble butylated coal and some model compounds; obtained additional Styragel(R) chromatography data of tetrahydrofuran-soluble coal labelled with 98%-enriched butyl-1,1-d/sub 2/ iodide; and obtained /sup 2/D nmr spectra of all the deuterium-labelled, tetrahydrofuran-soluble coal products. In accord with Task 4, we have undertaken a review of the information now available concerning the nature of Illinois No. 6 coal. Also, the effects of organic additives on the exchange reactions between tetralin-d/sub 12/ and diphenyl-methane and on the thermal cleavage reactions of several model compounds in tetralin were investigated to probe the relationship between structure and reactivity. The exchange reaction can be accelerated by coal, asphaltene-preasphaltene fractions derived from coal, compounds with labile bonds, or compounds which can be reduced readily. The pyridine-insoluble coal product, acids, and bases are inactive toward the exchange reaction.

  15. Dimethyl 7-(dimethylamino-3,4-dihydro-1-(2-oxopropyl-4-phenylnaphthalene-2,2(1H-dicarboxylate

    Directory of Open Access Journals (Sweden)

    Sung-Gon Kim

    2017-03-01

    Full Text Available A Friedel-Crafts–type ring-opening/intramolecular Michael addition cascade reaction of (E-4-(3-(dimethylaminophenylbut-3-en-2-one with dimethyl 2-phenylcyclopropane-1,1-dicarbo-xylate catalyzed by Yb(OTf3 has produced a new compound, dimethyl 7-(dimethylamino-3,4-dihydro-1-(2-oxopropyl-4-phenylnaphthalene-2,2(1H-dicarboxylate. This reaction provided diastereoslective trans tetralin (7:3 dr on the cyclohexyl ring. The structure of the newly synthesized compound was determined using 1H-, 13C-NMR, IR and mass spectral data.

  16. Effect of mineral matter on the hydrogenation of Spanish coals

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, J.L.; Aguilar, F.; Juan, R.; Martinez, M.T.; Cebolla, V.L. (Instituto de Carboquimica, Zaragoza (Spain))

    1991-09-01

    Mineral matter effect on hydroliquefaction (in tetralin, 430deg C and 9 MPa initial H{sub 2} pressure) of 6 Spanish lignites with different ash contents and nature and their demineralized - derivatives in two-levels (HCl, HCl+HF) has been studied. These coals present kaolinite, illite, quartz, pyrite, calcite and gypsum as main components of their mineral matter. Calcite and gypsum effects are not clear and can be limited only to a physical role. Kaolinite gives an increase of conversion yields. Chemical effect must not be neglected. Attempts were made to correlate conversion and properties of the original coals. (orig.).

  17. Coal liquefaction in an inorganic-organic medium. [DOE patent application

    Science.gov (United States)

    Vermeulen, T.; Grens, E.A. II; Holten, R.R.

    Improved process for liquefaction of coal by contacting pulverized coal in an inorganic-organic medium solvent system containing a ZnCl/sub 2/ catalyst, a polar solvent with the structure RX where X is one of the elements O, N, S, or P, and R is hydrogen or a lower hydrocarbon radical; the solvent system can contain a hydrogen donor solvent (and must when RX is water) which is immiscible in the ZnCl/sub 2/ and is a hydroaromatic hydrocarbon selected from tetralin, dihydrophenanthrene, dihydroanthracene or a hydrogenated coal derived hydroaromatic hydrocarbon distillate fraction.

  18. Enthalpy and phase behavior of coal derived liquid mixtures. Ninth quarterly technical progress report, July-September 1986

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1986-10-31

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid moedl compound mixtures. During the ninth quarter, enthalpy measurements on the pure component 1-methylnaphthalene were obtained. Also, during this quarter ternary vapor liquid equilibrium measurements for m-cresol/quinoline/tetralin have begun for the isotherms; 250, 275, 300, 325/sup 0/C. A maximum likelihood algorithm applicable for implicit constraints has been developed. The method was applied to the determination of interaction parameters for temperature and density dependent mixing rules from our binary vapor liquid equilibrium data. 16 refs., 51 figs., 14 tabs.

  19. Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, January-March 1985

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1985-04-30

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid model compound mixtures. During the third quarter modifications to both the calorimeter and the phase equilibria system were completed. The phase equilibria system was checked out against literature data for methanol/ethanol. Results of these tests are included in this report. The calorimeter was evaluated using previously confirmed heptane data and published data by Thinh, et al. These results are also reported. Initial calorimetry data have been obtained for tetralin and the data will be reported when the data set has been completed. 5 refs., 5 figs., 3 tabs.

  20. Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, July-September 1985

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1985-10-31

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid model compound mixtures. During the fifth quarter, preliminary enthalpy measurements for the 50/50 mole percent m-cresol/tetralin binary mixture have almost been completed and figure illustrating the preliminary results have been included in this report. Vapor liquid equilibria measurements for the m-cresol/quinoline system have been completed for four isotherms. Results have been included in this report. 6 refs., 13 figs., 4 tabs.

  1. Chemical structure of artificial coals obtained from cellulose, wood and peat

    Energy Technology Data Exchange (ETDEWEB)

    Sugimoto, Y.; Miki, Y. [National Inst. of Materials and Chemical Research, Tsukuba, Ibaraki (Japan)

    1997-12-31

    Cellulose, wood and peat were thermally decomposed at 200-400 C in water, and the water-insoluble products (artificial coals) were characterized by solid state {sup 13}C-NMR, elemental and functional analyses. The artificial coals were also hydrogenated over a presulfided Ni-Mo/Al{sub 2}O{sub 3} catalyst in tetralin, and the hydrogenation products were analyzed by a capillary Py-GC and Py-GCMS. The similarities and differences between artificial and natural coals were discussed. (orig.)

  2. Investigation on characterization of Ereen coal deposit

    Directory of Open Access Journals (Sweden)

    S. Jargalmaa

    2016-03-01

    Full Text Available The Ereen coal deposit is located 360 km west from Ulaanbaatar and 95 km from Bulgan town. The coal reserve of this deposit is approximately 345.2 million tons. The Ereen coal is used directly for the Erdenet power plant for producing of electricity and heat. The utilization of this coal for gas and liquid product using gasification and pyrolysis is now being considered. The proximate and ultimate analysis show that the Ereen coal is low rank D mark hard coal, which corresponds to subbituminous coal. The SEM images of initial coal sample have compact solid pieces. The SEM image of carbonized and activated carbon samples are hard material with high developed macro porosity structure. The SEM images of hard residue after thermal dissolution in autoclave characterizes hard pieces with micro porous structure in comparison with activated carbon sample. The results of the thermal dissolution of Ereen coal in tetralin with constant weight ratio between coal and tetralin (1:1.8 at the 450ºC show that 38% of liquid product can be obtained by thermal decomposition of the COM (coal organic matter.Mongolian Journal of Chemistry 16 (42, 2015, 18-21

  3. Solvent effects on polymer sorting of carbon nanotubes with applications in printed electronics.

    Science.gov (United States)

    Wang, Huiliang; Hsieh, Bing; Jiménez-Osés, Gonzalo; Liu, Peng; Tassone, Christopher J; Diao, Ying; Lei, Ting; Houk, Kendall N; Bao, Zhenan

    2015-01-07

    Regioregular poly(3-alkylthiophene) (P3AT) polymers have been previously reported for the selective, high-yield dispersion of semiconducting single-walled carbon nanotubes (SWCNTs) in toluene. Here, five alternative solvents are investigated, namely, tetrahydrofuran, decalin, tetralin, m-xylene, and o-xylene, for the dispersion of SWCNTs by poly(3-dodecylthiophene) P3DDT. The dispersion yield could be increased to over 40% using decalin or o-xylene as the solvents while maintaining high selectivity towards semiconducting SWCNTs. Molecular dynamics (MD) simulations in explicit solvents are used to explain the improved sorting yield. In addition, a general mechanism is proposed to explain the selective dispersion of semiconducting SWCNTs by conjugated polymers. The possibility to perform selective sorting of semiconducting SWCNTs using various solvents provides a greater diversity of semiconducting SWCNT ink properties, such as boiling point, viscosity, and surface tension as well as toxicity. The efficacy of these new semiconducting SWCNT inks is demonstrated by using the high boiling point and high viscosity solvent tetralin for inkjet-printed transistors, where solvent properties are more compatible with the inkjet printing head and improved droplet formation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Biotransformation of lignan glycoside to its aglycone by Woodfordia fruticosa flowers: quantification of compounds using a validated HPTLC method.

    Science.gov (United States)

    Mishra, Shikha; Aeri, Vidhu

    2017-12-01

    Saraca asoca Linn. (Caesalpiniaceae) is an important traditional remedy for gynaecological disorders and it contains lyoniside, an aryl tetralin lignan glycoside. The aglycone of lyoniside, lyoniresinol possesses structural similarity to enterolignan precursors which are established phytoestrogens. This work illustrates biotransformation of lyoniside to lyoniresinol using Woodfordia fruticosa Kurz. (Lythraceae) flowers and simultaneous quantification of lyoniside and lyoniresinol using a validated HPTLC method. The aqueous extract prepared from S. asoca bark was fermented using W. fruticosa flowers. The substrate and fermented product both were simultaneously analyzed using solvent system:toluene:ethyl acetate:formic acid (4:3:0.4) at 254 nm. The method was validated for specificity, accuracy, precision, linearity, sensitivity and robustness as per ICH guidelines. The substrate showed the presence of lyoniside, however, it decreased as the fermentation proceeded. On 3rd day, lyoniresinol starts appearing in the medium. In 8 days duration most of the lyoniside converted to lyoniresinol. The developed method was specific for lyoniside and lyoniresinol. Lyoniside and lyoniresinol showed linearity in the range of 250-3000 and 500-2500 ng. The method was accurate as resulted in 99.84% and 99.83% recovery, respectively, for lyoniside and lyoniresinol. Aryl tetralin lignan glycoside, lyoniside was successfully transformed into lyoniresinol using W. fruticosa flowers and their contents were simultaneously analyzed using developed validated HPTLC method.

  5. Investigation on characterization and liquefaction of coals from Tavan tolgoi deposit

    Directory of Open Access Journals (Sweden)

    B Purevsuren

    2014-10-01

    Full Text Available On the basis of proximate, ultimate, petrographic and IR analysis results have been confirmed that the Tavan tolgoi coal is a high-rank G mark stone coal. The results of X-ray fluorescence analysis of coal ash show that the Tavan tolgoi coal is a subbituminous coal. The ash of Tavan tolgoi coal has an acidic character. The results of pyrolysis of Tavan tolgoi coal at different heating temperatures show that a maximum yield - 5.0% of liquid product can be obtained at 700°C. The results of thermal dissolution of Tavan tolgoi coal in tetralin with constant mass ratio between coal and tetralin (1:1.8 at 450°C show that 50.0% of liquid product can be obtained after thermal decomposition of the COM (coal organic matter. DOI: http://dx.doi.org/10.5564/mjc.v14i0.191 Mongolian Journal of Chemistry 14 (40, 2013, p12-19

  6. Thermal processing of Khoot coal and characterization of obtained solid and liquid products

    Directory of Open Access Journals (Sweden)

    S Batbileg

    2014-12-01

    Full Text Available On 21st January 2015, the abstract of this paper was replaced with the correct abstract.The coal of Khoot deposit have been investigated and determined the technical characteristics, elemental and petrographical maceral compositions. On the basis of proximate, ultimate, petrographic and IR analysis results have been confirmed that the Khoot coal is a sub-bituminous coal. The hard residue after pyrolysis have been activated by heated water steam and determined the iodine and methylene blue adsorption of initial coal and activated carbon samples from pyrolysis hard residue. The porosity structure of initial coal, activated carbon of pyrolysis hard residue and hard residue after thermolysis (thermal dissolution have been determined by SEM analysis. The liquid tar product of thermolysis of Khoot coal was investigated by FTIR, 13C and 1H NMR spectrometric analysis. The results of thermolysis of Khoot coal in tetralin with constant mass ratio between coal and tetralin (1:1.8 at 450°C show that 60.8% of liquid product can be obtained after thermolysis of the coal organic mass.DOI: http://doi.dx.org/10.5564/mjc.v15i0.326 Mongolian Journal of Chemistry 15 (41, 2014, p66-72

  7. Effect of various catalysts on the chemical structure of oils and asphaltenes obtained from the hydroliquefaction of a highly volatile bituminous coal

    Energy Technology Data Exchange (ETDEWEB)

    Cebolla, V.L.; Diack, M.; Oberson, M.; Bacaud, R.; Cagniant, D.; Nickel-Pepin-Donat, B. (Universite de Metz, Metz (France))

    1991-07-01

    The catalysts studied were aerosols of SiO{sub 2}, Fe{sub 2}O{sub 3}, MoO{sub 3} and Ni-Mo/Al{sub 2}O{sub 3}. The hydroliquefaction runs at 350, 400 and 430{degree}C, in the presence of tetralin and sulfur, were evaluated by solvent extractions, hydrogen consumption and structural analysis of the isolated oil and asphaltene fractions. At 350 {degree}C, a clear influence of the catalyst on the extraction yields is observed. This effect disappears at higher temperatures. Nevertheless, hydrogen consumption from gas or solvent is affected by the nature of the catalyst at a given temperature. The influence of the catalyst is also confirmed by electron spin resonance study of the stable radicals of the tetrahydrofuran insoluble fractions. After elimination of tetralin, the structural analyses were carried out by gas chromatography (oils), size exclusion chromatography (oils and asphaltenes) and extrography (raw hydroliquefaction products). The oils obtained with sulfided Fe{sub 2}O{sub 3} or MoO{sub 3} contained significantly more two-ringed aromatic compounds than oils obtained with the other catalysts or without added catalyst. No significant influence of the catalyst at a given temperature on the oils and asphaltenes is observed by size exclusion chromatography. In contrast, a large temperature effect is evidenced for each fraction, independently of the nature of the catalyst. 38 refs., 7 figs., 6 tabs.

  8. Direct liquefaction of plastics and coprocessing of coal with plastics

    Energy Technology Data Exchange (ETDEWEB)

    Huffman, G.P.; Feng, Z.; Mahajan, V. [Univ. of Kentucky, Lexington, KY (United States)

    1995-12-31

    The objectives of this work were to optimize reaction conditions for the direct liquefaction of waste plastics and the coprocessing of coal with waste plastics. In previous work, the direct liquefaction of medium and high density polyethylene (PE), polypropylene (PPE), poly(ethylene terephthalate) (PET), and a mixed plastic waste, and the coliquefaction of these plastics with coals of three different ranks was studied. The results established that a solid acid catalyst (HZSM-5 zeolite) was highly active for the liquefaction of the plastics alone, typically giving oil yields of 80-95% and total conversions of 90-100% at temperatures of 430-450 {degrees}C. In the coliquefaction experiments, 50:50 mixtures of plastic and coal were used with a tetralin solvent (tetralin:solid = 3:2). Using approximately 1% of the HZSM-5 catalyst and a nanoscale iron catalyst, oil yields of 50-70% and total conversion of 80-90% were typical. In the current year, further investigations were conducted of the liquefaction of PE, PPE, and a commingled waste plastic obtained from the American Plastics Council (APC), and the coprocessing of PE, PPE and the APC plastic with Black Thunder subbituminous coal. Several different catalysts were used in these studies.

  9. Regioisomerism in the synthesis of a chiral aminotetralin drug compound: unraveling mechanistic details and diastereomer-specific in-depth NMR investigations.

    Science.gov (United States)

    Schuisky, Peter; Federsel, Hans-Jürgen; Tian, Wei

    2012-07-06

    During chemical process development of a novel 2-aminotetralin derivative intended for use as an antidepressant, scrutiny of the byproduct present in the drug molecule revealed a set of regioisomers. Detailed studies showed that this impurity issue originated from an early synthetic step in which a brominated tetralone motif was generated in a ring-closing protocol. It was found that this reaction was accompanied by a migration of the aromatic bromo substituent via different bromonium species along two discrete pathways. This example of the halogen dance reaction resulted in the formation of a series of tetralone impurities with a bromine distributed across all available aromatic positions of the tetralin nucleus. Subsequently, when subjected to reductive amination conditions, each of these tetralones gave rise to pairs of aminotetralins in a diastereomeric relationship. NMR investigations revealed that the alicyclic portion of the compounds thus formed displayed very complex signal patterns, which required further in-depth studies using a variety of sophisticated techniques. As a result, a deep insight into the structural features of the current 2-aminotetralin family was obtained, which is emphasized by the definition of a novel "0.2 ppm rule" allowing the absolute configuration at tetralin C-2 to be determined.

  10. Radical chemistry under diffusional constraints: Impact of spacer molecules on the thermolysis of surface-immobilized bibenzyl

    Energy Technology Data Exchange (ETDEWEB)

    Buchanan, A.C. III; Britt, P.F.; Thomas, K.B. [Oak Ridge National Laboratory, Oak Ridge, IN (United States). Chemical and Analytical Sciences Division

    1998-05-01

    Silica nanoparticle surfaces have been chemically modified to contain a molecular probe, 1,2-diphenylethane (bibenzyl), as well as a second spacer molecule of variable structure. Thermolysis kinetics and products at 400{degree}C have been determined for bibenzyl, and the impact of diffusional constraints and spacer molecular structure on the multipathway radical chemistry has been analyzed relative to fluid phases. Unimolecular homolysis rate constants, k = (7-9) x 10{sup -6}s{sup -1}, are found to be independent of spacer molecular structure (naphthalene, diphenylmethane, tetralin) and similar to values measured in fluid phases, indicating the lack of a cage effect on the silica surface. However, the total rate of bibenzyl thermolysis and the resulting product selectivities are profoundly affected by both surface immobilization and the structure of the spacer molecule. Naphthalene spacers behave as `molecular walls` serving as physical barriers to bimolecular hydrogen transfer steps on the surface and augmenting the effects of diffusional constraints. In contrast, diphenylmethane spacers are found to serve as hydrogen transfer, radical relay catalysts that translocate radical sites across the surface and diminish the impact of diffusional constraints. Tetralin spacers undergo significant reaction with free-radical intermediates, selectively producing the isomeric methylindan via a chain pathway that is promoted by the restrictions on diffusion. 29 refs., 4 figs., 5 tabs.

  11. Studies of initial stage in coal liquefaction. Effect of decomposition of oxygen-functional groups on coal liquefaction; Ekika hanno no shoki katei ni kansuru kenkyu. 3. Gansanso kannoki no bunkai kyodo to ekika hanno eno eikyo

    Energy Technology Data Exchange (ETDEWEB)

    Komeiji, A.; Kaneko, T.; Shimazaki, K. [Nippon Brown Coal Liquefaction Co. Ltd., Tokyo (Japan)

    1996-10-28

    Pretreatment of brown coal in oil was conducted using 1-methyl naphthalene or mixture of tetralin and 1-methyl naphthalene as solvent at temperatures ranging from 300 to 430{degree}C under nitrogen atmosphere. Effects of the solvent properties on the structural change of oxygen-functional groups (OFG) and coal liquefaction were investigated by means of quantitative analysis of OFG and solid state {sup 13}C-NMR measurement. When hydrogen transfer from solvent was insufficient, it was suggested that brown coal molecules loose their hydrogen to be aromatized. While, at lower temperatures ranging from 300 to 350{degree}C, hydrogen contained in brown coal molecules was consumed for the stabilization of pyrolytic radicals, and the deterioration of liquefaction was not observed. When hydrogen transfer from solvent was insufficient at higher temperatures above 400{degree}C in nitrogen atmosphere during pretreatment in oil, crosslinking like benzofuran type was formed by dehydration condensation of hydroxyl group in brown coal, to deteriorate the liquefaction, remarkably. The addition of donor solvent like tetralin decreased the formation of crosslinking like benzofuran type, which suppressed the deterioration of liquefaction. 8 refs., 5 figs.

  12. Depolymerization of lignin at low pressure using Lewis acid catalysts and under high pressure using hydrogen donor solvents

    Energy Technology Data Exchange (ETDEWEB)

    Davoudzadeh, F.; Coughlin, R.W.; Avni, E.; Smith, B.

    1985-06-01

    Adding phenol or guaiacol to the reaction mixture increased liquefaction of lignin from steam-exploded wood in tetralin at about 140 kg/cm/sup 2/ pressure and 300/sup 0/C. Phenol increased yields of filterable products from about 40 to 63%, guaiacol from about 30% to 50%. At one atmosphere and 110 to 200/sup 0/C only about 25% of the lignin could be converted to liquid regardless of whether phenol, tetralin or Lewis acid catalysts were employed. Of a variety of catalysts investigated at higher pressures NiO-MoO/sub 3/ supported on alumina gave the best results. Raising the temperature from 300 to 400/sup 0/C increased filtrate yields from the 30% to the 90% range at about 140 kg/cm/sup 2/ in H/sub 2/. The lower molecular weight lignin from steam-exploded wood (Iotech) gave somewhat larger conversions than Indulin, a Kraft lignin from Westvaco. The reaction products detected include methoxyphenols, cresols, alkyl cresols, guaiacol, toluenes, anisole, cinnamaldehyde and cumene.

  13. Direct use of methane in coal liquefaction

    Science.gov (United States)

    Sundaram, M.S.; Steinberg, M.

    1985-06-19

    This invention relates to a process for converting solid carbonaceous material, such as coal, to liquid and gaseous hydrocarbons utilizing methane, generally at a residence time of about 20 to 120 minutes at a temperature of 250 to 750/sup 0/C, preferably 350 to 450/sup 0/C, pressurized up to 6000 psi, and preferably in the 1000 to 2500 psi range, preferably directly utilizing methane 50 to 100% by volume in a mix of methane and hydrogen. A hydrogen donor solvent or liquid vehicle such as tetralin, tetrahydroquinoline, piperidine, and pyrolidine may be used in a slurry mix where the solvent feed is 0 to 100% by weight of the coal or carbonaceous feed. Carbonaceous feed material can either be natural, such as coal, wood, oil shale, petroleum, tar sands, etc., or man-made residual oils, tars, and heavy hydrocarbon residues from other processing systems. 1 fig.

  14. Cooperative research in coal liquefaction. Final report, May 1, 1992--April 30, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Huffman, G.P. [ed.

    1996-03-01

    Research on sulfate and metal (Mo, Sn) promoted Fe{sub 2}O{sub 3} catalysts in the current year focused on optimization of conditions. Parameters varied included temperature, solvent, solvent-to-coal ratio, and the effect of presulfiding versus in situ sulfiding. Oil yields were found to increase approximately proportionately with both temperature and solvent-to-coal ratio. The donor solvent, tetralin, proved to give better total conversion and oil yields than either 1-methylnaphthalene or Wilsonville recycle oil. A significant enhancement of both total liquefaction yields and oil yields from lignites and subbituminous coals has been achieved by incorporating iron into the coal matrix by cation exchange. A study has been conducted on the synthesis of iron, molybdenum, and tungsten catalysts using a laser pyrolysis technique.

  15. Interaction of organic solvent with a subbituminous coal below pyrolysis temperature

    Energy Technology Data Exchange (ETDEWEB)

    Lindsey, D.; Grens, E.A.

    1978-06-01

    The interactions of a subbituminous coal with certain binary organic solvent mixtures have been studied at 250/sup 0/C. Mixtures of pyridine, quinoline, piperidine, tetrahydroquinoline, and ethylenediamine with either toluene or tetralin were contacted with coal in a successive batch, stirred reactor, the extractions being carried to near completion. Two distinct behaviors of extraction yield as a function of composition have been identified. In the majority of the solvent mixtures the extraction yield increases linearly with increasing concentration of the more active solvent. When the active solvent is ethylenediamine, however, the extraction yield increases rapidly when small concentrations of ethylenediamine are used but then levels out close to its maximum value in a 50 to 50 mix. This behavior is an indication that, except in the case of ethylenediamine, the activity of solvent mixtures is a function of bulk solution properties.

  16. The structural and group composition of sulfur organic compounds and 200-360 degree distillate hydrocarbons of Usinsk oil

    Energy Technology Data Exchange (ETDEWEB)

    Mel' nikova, L.A.; Karmanova, L.P.; Lyapina, N.K.

    1980-01-01

    Established is the structural group composition of sulfur organic compounds of the diesel distillate (DD) of heavy Usinsk oil from the Komi ASSR, which are basically represented by alkyl and cycloalkanobenzothiophenes. The distinguishing feature of the studied diesel distillates is the comparatively high content of thiaindanes. Determined through mass spectrometric analysis methods is the group composition of the diesel distillate hydrocarbons. The basic groups of the hydrocarbons are the naphthene (57%) of primarily mono and bicyclic structure, ArU (23%) basically represented by alkylbenzenes and tetralines, while a lesser volume (15%) of paraffin hydrocarbons with a predominant isostructure were discovered in the diesel distillate. The comparative structural and group characteristics of the thiophenes of the diesel distillate of the oils of varying type showed the differences in the quantitative content of the individual structures with a primary content of benzo and dibenzothiophene compounds (a total of 66.2-89.6% of the thiophenes).

  17. Fuel property effects on Navy aircraft fuel systems

    Science.gov (United States)

    Moses, C. A.

    1984-01-01

    Problems of ensuring compatibility of Navy aircraft with fuels that may be different than the fuels for which the equipment was designed and qualified are discussed. To avoid expensive requalification of all the engines and airframe fuel systems, methodologies to qualify future fuels by using bench-scale and component testing are being sought. Fuel blends with increasing JP5-type aromatic concentration were seen to produce less volume swell than an equivalent aromatic concentration in the reference fuel. Futhermore, blends with naphthenes, decalin, tetralin, and naphthalenes do not deviate significantly from the correlation line of aromatic blends, Similar results are found with tensile strenth and elongation. Other elastomers, sealants, and adhesives are also being tested.

  18. Improved posttraumatic acquisition of a place learning task after repeated administration of a serotonergic agonist 8-OH-DPA

    DEFF Research Database (Denmark)

    Mala, Hana; Mogensen, Jesper

    2008-01-01

    of the water maze based place learning task started on the 8th day after surgery and continued daily for the next 25 days.   Results: The results show that within the lesioned groups, the group that was subjected to repeated administration of 8-OH-DPAT (REPEAT TREATM) showed a significantly improved......Introduction/Objectives Studies have indicated that serotonergic agonists may act neuroprotectively against neurochemical and mechanical injury to the brain, and diminish the negative consequences of secondary tissue response to the initial insult. Little is known about the mechanisms...... of such effects. Likewise, it is presently uncertain to what extent serotonergic agonists can reduce the functional consequences of focal brain injury. In this study, we have addressed the neuroprotective potential of 8-hydroxy-2-di-n-propylamino-tetralin (8-OH-DPAT), which is a serotonin agonist binding...

  19. Kinetics and mechanism of thermolysis of dibenzyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Korobov, V.Yu.; Grigorieva, E.N.; Senko, O.V.; Kalechitz, I.V.

    1988-10-01

    The kinetics of thermolysis of dibenzyl ether in tetralin have been studied at 350-410 degrees C in a hydrogen atmosphere at 8.5 MPa pressure. A kinetic model has been proposed that satisfactorily describes the process and takes into account both the known transformation of ethers into toluene and benzaldehyde and the direct destruction of ether to benzene and toluene with elimination of CO and secondary conversions of benzaldehyde. It has been shown that at lower temperatures the first reaction prevails whereas at higher temperatures both reactions become competitive. The kinetic parameters support an intramolecular rearrangement as a pathway of the first reaction and a radical mechanism as a pathway of the second. 16 refs., 4 figs., 1 tab.

  20. Infrared and Raman spectra and theoretical calculations for benzocyclobutane in its electronic ground state.

    Science.gov (United States)

    Ocola, Esther J; Shin, Hee Won; Laane, Jaan

    2015-02-05

    The infrared and Raman spectra of vapor-phase and liquid-phase benzocyclobutane (BCB) have been recorded and assigned. The structure of the molecule was calculated using the MP2/cc-pVTZ basis set and the vibrational frequencies and spectral intensities were calculated using the B3LYP/cc-pVTZ level of theory. The agreement between experimental and calculated spectra is excellent. In order to allow comparisons with related molecules, ab initio and DFT calculations were also carried out for indan (IND), tetralin (TET), 1,4-benzodioxan (14BZD), 1,3-benzodioxan (13BZD) and 1,4-dihydronaphthalene (14DHN). The ring-puckering, ring-twisting, and ring-flapping vibrations were of particular interest as these reflect the rigidity of the bicyclic ring system. The infrared spectra of BCB show very nice examples of vapor-phase band types and combination bands. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Infrared and Raman spectra and theoretical calculations for benzocyclobutane in its electronic ground state

    Science.gov (United States)

    Ocola, Esther J.; Shin, Hee Won; Laane, Jaan

    2015-02-01

    The infrared and Raman spectra of vapor-phase and liquid-phase benzocyclobutane (BCB) have been recorded and assigned. The structure of the molecule was calculated using the MP2/cc-pVTZ basis set and the vibrational frequencies and spectral intensities were calculated using the B3LYP/cc-pVTZ level of theory. The agreement between experimental and calculated spectra is excellent. In order to allow comparisons with related molecules, ab initio and DFT calculations were also carried out for indan (IND), tetralin (TET), 1,4-benzodioxan (14BZD), 1,3-benzodioxan (13BZD) and 1,4-dihydronaphthalene (14DHN). The ring-puckering, ring-twisting, and ring-flapping vibrations were of particular interest as these reflect the rigidity of the bicyclic ring system. The infrared spectra of BCB show very nice examples of vapor-phase band types and combination bands.

  2. Enthalpy and phase behavior of coal derived liquid mixtures: Technical progress report for the period July-September 1987

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1987-10-31

    The objectives of this program are to study the enthalpy and phase behavior of a selected ternary model compound system, representative of interactions present in coal derived liquids. Measurements were made in a Freon 11 reference fluid boil-off calorimeter, and an equilibrium flash vaporization apparatus. The ternary system included an aromatic, a basic nitrogen compound, and a cresol: the m-cresol/quinoline/tetralin ternary mixture. Measurements were made over a wide range of temperature (200 to 750/sup 0/F) and pressure (20 to 1500 psia), for the three pure compounds, the three binary mixtures and selected compositions of the ternary. Both enthalpy and phase behavior measurements were made. Equation of state parameters obtained from binary enthalpy data are more reliable when extrapolated to the ternary system, than parameters obtained from vapor liquid equilibrium data. Furthermore, the more complex mixing rules generally gave poorer predictions when extrapolated to ternary systems. 17 refs., 7 figs., 4 tabs.

  3. Thermal degradation of poly({alpha}-methylstyrene) in solution. [Quarterly report, July--September 1995

    Energy Technology Data Exchange (ETDEWEB)

    Madras, G.; Smith, J.M.; McCoy, B.J.

    1995-11-11

    The thermal degradation of poly({alpha}-methylstyrene) in solution was investigated at various temperatures (150-225 C) and polymer concentrations (2.00-20.0 g/L) at 6.8 MPa (1000 psig). The molecular weight distributions (MWDs) of the reacted polymer at these conditions were examined at four different residence times. Experimental data indicated that the polymer degraded to its monomer, {alpha}-methylstyrene. No other degradation products were observed. Continuous-mixture kinetics was used to examine the MWDs and to obtain the rate coefficient for degradation and its activation energy. The rate was first-order in polymer concentration with a rate constant at 225 C of 0.01 min{sup {minus} 1} and an activation energy of 66.5 kJ/mol (16.0 kcal/mol). The maximum conversion observed at 275 C was 1.2%. Hydrogen-donor solvent, tetralin, had no effect on the degradation.

  4. Computational methods of the Advanced Fluid Dynamics Model

    Energy Technology Data Exchange (ETDEWEB)

    Bohl, W.R.; Wilhelm, D.; Parker, F.R.; Berthier, J.; Maudlin, P.J.; Schmuck, P.; Goutagny, L.; Ichikawa, S.; Ninokata, H.; Luck, L.B.

    1987-01-01

    To more accurately treat severe accidents in fast reactors, a program has been set up to investigate new computational models and approaches. The product of this effort is a computer code, the Advanced Fluid Dynamics Model (AFDM). This paper describes some of the basic features of the numerical algorithm used in AFDM. Aspects receiving particular emphasis are the fractional-step method of time integration, the semi-implicit pressure iteration, the virtual mass inertial terms, the use of three velocity fields, higher order differencing, convection of interfacial area with source and sink terms, multicomponent diffusion processes in heat and mass transfer, the SESAME equation of state, and vectorized programming. A calculated comparison with an isothermal tetralin/ammonia experiment is performed. We conclude that significant improvements are possible in reliably calculating the progression of severe accidents with further development.

  5. Effects of low-temperature catalytic pretreatments on coal structure and reactivity in liquefaction. [Quarterly] technical progress report, April--June 1993

    Energy Technology Data Exchange (ETDEWEB)

    Song, C.; Huang, L.; Saini, A.K.; Schobert, H.H.; Hatcher, P.G.

    1993-07-01

    In this quarter, progress has been made in the following two aspects: (1) effects of drying and mild oxidation on conversion and product distribution during non-catalytic and catalytic liquefaction of a Montana subbituminous coal (DECS-9); and (2) effects of solvent and catalyst on conversion and structural changes of a Texas subbituminous coal (DECS-1). Influence of drying and mild oxidation on catalytic and non-catalytic liquefaction (at 350C for 30 min with 6.9 MPa (cold) H{sub 2} was studied using Wyodak subbituminous coal. For non-catalytic runs, fresh raw coal gave higher conversion and higher oil yield than both the vacuum- and air-dried coals, regardless of the solvent. Compared to the vacuum-dried coal, the coal dried in air in 100C for 2 h gave a better conversion in the presence of either a hydrogen donor tetralin or a non-donor 1-methylnaphthalene (1-MN) solvent. Catalytic runs were performed using in-situ generated molybdenum sulfide catalyst from ammonium tetrathiomolybdate (ATTM) precursor impregnated on either raw coal or predried coal samples. The solvent-free runs using ATTM loaded on the raw coal gave higher conversion and higher oil yield than loading ATTM on vacuum- or air-dried coal. In the presence of either tetralin or 1-MN, however, the runs using ATTM loaded on air-dried coal afford better conversions and oil yields as compared to the runs using vacuum-dried coal. Upon drying coal in air at 150C for 20 h, the conversion significantly decreased to a lower value than that of the vacuum-dried coal in the non-catalytic runs, and the same trend was observed in the runs of the dried coals loaded with ATTM. Physical, chemical, and surface chemical aspects of effects of drying and oxidation and the role of water are also discussed in the report.

  6. Modulation of oral movements by intranigral 5-hydroxytryptamine receptor agonists in the rat.

    Science.gov (United States)

    Liminga, U; Johnson, A E; Andrén, P E; Gunne, L M

    1993-10-01

    Bilateral infusion of 5-hydroxytryptamine (5-HT) agonists into the substantia nigra pars reticulata (SNr) of awake rats was shown to influence oral behavior. The 5-HT1A agonist (R)-8-hydroxy-2-(di-propylamino)- tetralin (8-OH-DPAT) (1.3-13 nmol on each side) produced a dose-dependent depression of vacuous chewing movements (VCMs) that lasted about 20 min. The (R)-8-OH-DPAT-induced depression of VCMs was blocked by the simultaneous intranigral infusion of a specific 5-HT1A antagonist [(-)-(S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin HCl (UH-301)], which had no effect when given alone. Another 5-HT1A agonist [(5-methoxy-N,N-dimethyltryptamine hydrogen oxalate (5-MeO-DMT)] also reduced VCM frequencies. Intranigral infusion of the nonspecific 5-HT-agonists 1-(3-triflouro-methylphenyl) piperazine (TFMPP) and 1(m-chlorophenyl)-piperazine (mCPP) and a 5-HT3 agonist [2-methyl-5-hydroxytryptamine (2-Me-5-HT)] increased VCM after 5- to 10-nmol doses. Another 5-HT3 agonist (1-phenylbiguanide) and a 5-HT2 agonist [1-(4-bromophenyl-2,5-dimethoxy)-2-aminopropane (DOB)] had no significant effect. As most 5-HT receptors in the SNr are of the 5-HT1B subtype, these results suggest that the increased VCM frequency was mediated via nigral 5-HT1B receptors. The importance of 5-HTergic mechanisms in the development of drug-induced dyskinesias is discussed.

  7. Competing reaction channels in IR-laser-induced unimolecular reactions

    Energy Technology Data Exchange (ETDEWEB)

    Berman, M.R.

    1981-01-01

    The competing reaction channels in the unimolecular decomposition of two molecules, formaldehyde and tetralin were studied. A TEA CO/sub 2/ laser was used as the excitation source in all experiments. The dissociation of D/sub 2/CO was studied by infrared multiphoton dissociation (MPD) and the small-molecule nature of formaldehyde with regard to MPD was explored. The effect of collisions in MPD were probed by the pressure dependence of the MPD yield and ir fluorescence from multiphoton excited D/sub 2/CO. MPD yield shows a near cubic dependence in pure D/sub 2/CO which is reduced to a 1.7 power dependence when 15 torr of NO is added. The peak amplitude of 5 ..mu..m ir fluorescence from D/sub 2/CO is proportional to the square of the D/sub 2/CO pressure in pure D/sub 2/CO or in the presence of 50 torr of Ar. Results are explained in terms of bottlenecks to excitation at the v = 1 level which are overcome by a combination of vibrational energy transfer and rotational relaxation. The radical/molecule branching ratio in D/sub 2/CO MPD was 0.10 +- 0.02 at a fluence of 125 J/cm/sup 2/ at 946.0 cm/sup -1/. The barrier height to molecular dissociation was calculated to be 3.6 +- 2.0 kcal/mole below the radical threshold or 85.0 +- 3.0 kcal/mole above the ground state of D/sub 2/CO. In H/sub 2/CO, this corresponds to 2.5 +- 2.0 kcal/mole below the radical threshold or 83.8 +- 3.0 kcal/mole above the ground state. Comparison with uv data indicate that RRKM theory is an acceptable description of formaldehyde dissociation in the 5 to 10 torr pressure range. The unimolecular decomposition of tetralin was studied by MPD and SiF/sub 4/ - sensitized pyrolysis. Both techniques induce decomposition without the interference of catalytic surfaces. Ethylene loss is identified as the lowest energy reaction channel. Dehydrogenation is found to result from step-wise H atom loss. Isomerization via disproportionation is also identified as a primary reaction channel.

  8. Exploratory study of coal-conversion chemistry. Quarterly report No. 3, November 19, 1981-February 18, 1982. [Dihydronaphthalene, 1,2'-dinaphthylmethane, methoxynaphthalene diphenyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Ross, D.S.; McMillen, D.F.; Ogier, W.C.; Bunnell, R.; Hum, G.P.

    1982-03-01

    Work in Task A has provided additional data on the rate and mechanisms of radical-induced cleavage of strong C-C and C-0 bonds in coal structures. This work has shown that even resonance-stabilized radicals, which form relatively weak C-C bonds, can displace other resonance-stabilized radicals from methylene-bridged coal structures. Kinetic studies reveal that either the self-disproportionation of 1,2-dihydronaphthalene is much faster than previously reported or that the 1,2-dihydronaphthalene-tetralin disproportionation is much less important as a radical initiation process than thermochemical estimates had suggested. 1,2'-Dinaphthylmethane undergoes radical-induced CH/sub 2/-Ar bond scission ten times faster than diphenyl ether. This factor is shown to be consistent with the thermochemistry of displacement by tetralyl radical. In Task B we studied CO/H/sub 2/O conversion of a second, high volatile bituminous coal, PSOC-233. We found that, as with PSOC-026, the initial pH did affect the conversion rate, increasing with higher pH. We also conducted experiments with several oxygen-containing model compounds in CO/D/sub 2/O at 400/sup 0/C for 20 min. We had shown earlier in preliminary control experiments that simple aromatics, such as toluene, did not incorporate deuterium under these conditions. This quarter we found that anisole (Ph-O-CH/sub 3/) was converted to several products, with benzene as the most prominent. About 60% of the anisole was recovered in several experiments with mass balances at about 85%. There was a net incorporation of deuterium in the product benzene. The corresponding conversion in tetralin under the same conditions was two orders of magnitude slower and yielded phenol as the major product. We conclude that in the aqueous medium a chain process can occur that yields phenyl radical, which can then receive protium from a starting anisole or deuterium from the mineral medium.

  9. Co-liquefaction of Elbistan Lignite with Manure Biomass; Part 2 - Effect of Biomass Type, Waste to Lignite Ratio and Solid to Liquid Ratio

    Science.gov (United States)

    Karaca, Hüseyin; Koyunoglu, Cemil

    2017-12-01

    Most coal hydrogenation processes require a large quantity of hydrogen. In general, a coal derived liquid such as anthracene oil was used as a hydrogen donor solvent. Tetralin, partially hydrogenated pyrene, phenantrene and coal-derived solvents, which contain hydroaromatic compounds, are efficient solvents to donate hydrogen. In an attempt to reduce the high cost of hydrogen, part of the hydrogen was replaced by a low cost hydrogen donor solvent. This must be hydrogenated during or before the process and recycled. To reduce the cost of hydrogen donor vehicles instead of liquids recycled from the liquefaction process or several biomass types, industrial by products, liquid fractions derived from oil sands bitumen were successfully used to solubilize a coal from the past. In an attempt to reduce the high cost of hydrogen, part of the hydrogen was replaced by a low cost hydrogen donor solvent. However, when hydrogen is supplied from the hydroaromatic structures present in the solvent, the activity of coal minerals is too low to rehydrogenate the solvent in-situ. Nevertheless, a decrease of using oxygen, in addition to enhanced usage of the hydrogen supply by using various waste materials might lead to a decrease of the cost of the liquefaction procedure. So instead of using tetralin another feeding material such as biomass is becoming another solution improving hydrogen donor substances. Most of the liquefaction process were carried out in a batch reactor, in which the residence time of the liquefaction products is long enough to favour the retrogressive reactions, early studies which are related to liquefaction of coal with biomass generally focus on the synergetic effects of coal while biomass added. Early studies which are related to liquefaction of coal with biomass generally focus on the synergetic effects of coal while biomass added. Alternatively, to understand the hydrogen transfer from biomass to coal, in this study, Elbistan Lignite (EL) with manure, tea

  10. THE IMPACT OF TRACE ADDITIVES ON THE APPARENT SOLUBILITY OF HYDROGEN IN HEAVY OIL AND RELATED FEEDSTOCKS AT LOW AND HIGH TEMPERATURES

    Energy Technology Data Exchange (ETDEWEB)

    Jalal Abedi

    2002-09-01

    A systematic investigation was conducted to provide an accurate determination of hydrogen solubility in liquid media in temperatures in the range of 25-250 C and pressures in the range of 0.5-8 MPa. Results were obtained by an indirect gas solubility measurement method. The method was intended for use with high-resolution camera. The hydrogen solubility measurements were indirect and were based on pressure changes at constant temperature and measured volumes. Since the volume of the view cell was fixed the volume available for the vapor phase could be determined by measuring the location of the liquid-vapor interface. The interface was located to within the height of one pixel using high-resolution camera, which added {+-} 0.4 ml to the uncertainty of the vapor volume. Liquid-liquid interface locations were measured with equal precision. The accuracy of the method was illustrated through hydrogen solubility measurements in hexadecane and tetralin, which were in close agreement with the values available in the literature. Hydrogen solubilities in Athabasca bitumen vacuum bottoms (ABVB) were reported over a broad range of temperatures (80-250 C) and pressures (0.5-8 MPa).

  11. Preliminary characterization of bioreactivity of novel carbonaceous pitches extracted in N-methylpyrrolidone

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, C.S.; Stansberry, P.G.; Stiller, A.H.; Hobbs, G.; Vavro, K.; Miller, M.R. [West Virginia University, Morgantown, WV (United States). Dept. of Biochemistry

    1995-11-01

    Novel pitches produced by N-methylpyrrolidone (NMP) extraction of coal were evaluated for their biological reactivity. The potential health hazards of the NMP-derived extracts were evaluated using a wide spectrum of organisms and assays to determine if fundamental toxicity transcended various species and biological endpoints. The bioassays were also used to characterize partially the chemical nature of biologically reactive compounds in the extracts. The samples tested were unprocessed coal, NMP extracted coal, and NMP-extracted coal following hydrogenation in tetralin at 350, 400, or 450{degree}C; conventional Ravenswood coal tar pitch and Koppers coal tar pitch were also evaluated for comparison with the pitches produced by NMP extraction. Unprocessed and NMP-extracted coal exhibited little, if any, biological reactivity in any of the bioassays. Material hydrogenated at 350{degree}C was weakly reactive, 400{degree}C material was moderately reactive in all assays, and 450{degree}C material was highly reactive in all bioassays, indicating a correlation between biological reactivity and temperature of hydrogenation. In most assays the NMP extracts derived from 450{degree}C hydrogenated coal exhibited biological reactivity comparable to that of Ravenswood coal tar pitch. NMP-based processing of coal hydrogenated at high temperatures is likely to produce hazardous materials, whereas processing based on hydrogenation at lower temperatures greatly reduces the production of hazardous materials. 32 refs., 5 figs., 4 tabs.

  12. Effects of LSD, ritanserin, 8-OH-DPAT, and lisuride on classical conditioning in the rabbit.

    Science.gov (United States)

    Welsh, S E; Kachelries, W J; Romano, A G; Simansky, K J; Harvey, J A

    1998-02-01

    d-Lysergic acid diethylamide (LSD), an agonist at the 5-HT(2A/2C) and 5-HT1A receptors, has previously been demonstrated to enhance associative learning as measured by accelerated acquisition of the rabbit's classically conditioned nictitating membrane (NM) response. The present study examined further the role of these receptors in the action of LSD. LSD (30 nmol/kg, I.V.) significantly enhanced conditioned response (CR) acquisition to both tone and light conditioned stimuli (CSs), while the 5-HT1A receptor agonists 8-hydroxy-2-(dipropylamino)tetralin (8-OH-DPAT; 50 and 200 nmol/kg) and lisuride (0.3-30 nmol/kg) had no effect. Ritanserin (6.7-6700 nmol/kg, S.C.), a selective 5-HT(2A/2C) receptor antagonist, retarded acquisition of CRs to both tone and light CSs in a dose-dependent manner. Ritanserin (6.7-670 nmol/kg, S.C.) also dose dependently antagonized the enhancement of CR conditioning produced by LSD (30 nmol/kg, I.V.) to both tone and light CSs. We conclude that the enhancement of CR acquisition by LSD was due to an action at the 5-HT(2A/2C) receptor. These results suggest that the 5-HT(2A/2C) receptor plays an important role in learning.

  13. 2nd dimensional GC-MS analysis of sweat volatile organic compounds prepared by solid phase micro-extraction.

    Science.gov (United States)

    Choi, Mi-Jung; Oh, Chang-Hwan

    2014-01-01

    The characteristics of an individual's odor from sweat, breath and skin provide important information for criminal tracking in field of forensic science. Solid phase micro-extraction gas chromatography/mass spectrometry (SPME-GC/MS) was used to determine human sweat volatile organic compounds (VOCs) profiles. The mass spectrometric analysis (with electron impact mode) followed by 2nd dimensional separation with two different GC columns (one polar and one relatively nonpolar) connected in parallel were used to identify the 574 compounds from sweat samples. The components included alcohols, aldehydes, aliphatics/aromatics, carboxylic acids, esters, ketones, and other organic compounds (amides/amines, thio/thioesters, oxide, sulfides, nitro compounds). Of these compounds, 1-tridecanol, 1,3-bis(1,1-dimethyl ethyl)-benzene, 4,4'-(1-methylethylidene) bis-phenol and 7-acetyl-6-ethyl-1,1,4,4,-tetramethyl-tetraline were common components in all donor's sweat volatile samples. Age-related specific compounds were also detected. The results suggest that characteristic volatile profiles of human sweat emanations could provide the valuable information to forensic scientists.

  14. Effect of heat treatment changes on swelling treatment of coal; Sekitan no bojun shori sayo ni oyobosu netsushori henka no eikyo

    Energy Technology Data Exchange (ETDEWEB)

    Satsuka, T.; Mashimo, K.; Wainai, T. [Nihon University, Tokyo (Japan). College of Science and Technology

    1996-10-28

    Discussions were given on effects of heat treatment at relatively low temperatures as a pretreatment for coal liquefaction on coal swelling and hydrogenolysis reaction. Taiheiyo coal was heated to 200{degree}C for one hour as a pretreatment. The attempted heating methods consisted of four steps of rapid heating (6.7{degree}C/min)quenching (20{degree}C/min), rapid heating/natural cooling (0.7{degree}C/min), heating (1.0{degree}C/min)/quenching, and heating/natural cooling. The swelling treatment was composed of adding methanol benzene into heat treated coal, and leaving it at room temperature for 24 hours. The hydrogenolysis was carried out by using a tetralin solvent and at an initial hydrogen pressure of 20 kg/cm{sup 2} and a temperature of 350{degree}C and for a time of one hour. Hydrogenolysis conversion in the heat treated coal was found lower than that of the original coal because of generation of liquefaction inactive components due to thermal polymerization. When the heat treated coal is swollen by using the solvent, gas yield from the hydrogenolysis reaction decreased due to gas suppression effect, and the conversion was lower than that of the original coal. Heat treatment suggests densification of the coal structure. Swollen coal shows no conspicuous difference in the heat treatment methods against the hydrogenolysis due to the swelling effect. 3 refs., 5 figs., 1 tab.

  15. Synthesis and initial biological evaluation of a novel Tc-99m radioligand as a potential agent for 5-HT1A receptor imaging

    Energy Technology Data Exchange (ETDEWEB)

    Abdelounis, Najoua Mejri; Saied, Nadia Malek; Essouissi, Imen; Guizani, Sihem; Saidi, Mouldi [CNSTN, Sidi Thabet (Tunisia). Research Unit of Medical, Agricultural and Environmental Use of Nuclear Applications

    2014-09-01

    The synthesis, characterization and biological evaluation of N-Tolueneferrocenecarboxamide labeled with technetium-99m ({sup 99m}Tc-TTCC) is reported. Biological studies in Wistar rats showed the ability of {sup 99m}Tc-TPCC to cross the intact blood-brain barrier. In vivo biodistribution indicated that this complex had good brain uptake (1.32%ID/g at 5 min and 0.64%ID/g at 60 min) and good retention (about 50% of the activity was retained in the brain at 60 min post-injection). Regional brain distribution study showed that hippocampus, where the 5-HT1A receptor density is high, had the highest uptake (0.73%ID/g at 5 min p.i.) and the cerebellum, where the 5-HT1A receptor density is low, had the lowest uptake (0.12%ID/gID/g at 5 min p.i.). After blocking with 8-hydroxy-2-(dipropylamino) tetralin, the uptake of hippocampus was decreased significantly from 0.73%ID/g to 0.20%ID/g at 5 min p.i., while the cerebellum had no significant decrease. This result indicates that 99mTc complex has specific binding to 5-HT1A receptor. (orig.)

  16. A multi-dimensional quasi-discrete model for the analysis of Diesel fuel droplet heating and evaporation

    KAUST Repository

    Sazhin, Sergei S.

    2014-08-01

    A new multi-dimensional quasi-discrete model is suggested and tested for the analysis of heating and evaporation of Diesel fuel droplets. As in the original quasi-discrete model suggested earlier, the components of Diesel fuel with close thermodynamic and transport properties are grouped together to form quasi-components. In contrast to the original quasi-discrete model, the new model takes into account the contribution of not only alkanes, but also various other groups of hydrocarbons in Diesel fuels; quasi-components are formed within individual groups. Also, in contrast to the original quasi-discrete model, the contributions of individual components are not approximated by the distribution function of carbon numbers. The formation of quasi-components is based on taking into account the contributions of individual components without any approximations. Groups contributing small molar fractions to the composition of Diesel fuel (less than about 1.5%) are replaced with characteristic components. The actual Diesel fuel is simplified to form six groups: alkanes, cycloalkanes, bicycloalkanes, alkylbenzenes, indanes & tetralines, and naphthalenes, and 3 components C19H34 (tricycloalkane), C13H 12 (diaromatic), and C14H10 (phenanthrene). It is shown that the approximation of Diesel fuel by 15 quasi-components and components, leads to errors in estimated temperatures and evaporation times in typical Diesel engine conditions not exceeding about 3.7% and 2.5% respectively, which is acceptable for most engineering applications. © 2014 Published by Elsevier Ltd. All rights reserved.

  17. Theoretical Determination of Chromophores in the Chromogenic Effects of Aromatic Neurotoxicants

    Energy Technology Data Exchange (ETDEWEB)

    Zhan, Chang-Guo (COLUMBIA UNIVERSITY); Dixon, David A.(BATTELLE (PACIFIC NW LAB)); Sabri, M I.(Oregon Health Sciences University); Kim, Min-sun N.; Spencer, Peter S.

    2002-03-20

    We report the first computational study of the chromophores responsible for the chromogenic effect of aromatic neurotoxicants containing a 1,2-diacetyl moiety in their oxidation metabolites. A series of ab initio electronic structure calculations were performed on two representative aromatic compounds, 1,2-diecetylbenzene (1,2-DAB) and 1,2-diacetyl tetramethyltetralin (1,2-DATT), the metabolites of the widely used neurotoxic aromatic hydrocarbon solvents 1,2-diethylbenzene (1,2-DEB) and acetyl ethyl tetramethyl tetralin (AETT), and products of possible reactions which could lead to chromogenic effects. The electronic excitation energies determined by three different computational approaches are all consistent with each other. The calculated results are consistent with the conclusion/prediction that the chromogenic effects of 1,2-DAB (or 1,2-DEB) and 1,2-DATT (or AETT) are due to the ninhydrin-like reactions, rather than the formation of pyrrole-like compounds. Our pKa calculations further indicate that the chromophore, i.e. the product of the ninhydrin-like reaction, showing the blue color is deprotonated in neutral aqueous solution, whereas the corresponding protonated structure has a different color and its chromogenic contribution could be significant in solution at lower pH. In acidic solutions, the protonated structure could be dominant and the chromophore could show a different color.

  18. Downhole Upgrading of Orinoco Basin Extra-Heavy Crude Oil Using Hydrogen Donors under Steam Injection Conditions. Effect of the Presence of Iron Nanocatalysts

    Directory of Open Access Journals (Sweden)

    Cesar Ovalles

    2015-03-01

    Full Text Available An extra-heavy crude oil underground upgrading concept and laboratory experiments are presented which involve the addition of a hydrogen donor (tetralin to an Orinoco Basin extra-heavy crude oil under steam injection conditions (280–315 °C and residence times of at least 24-h. Three iron-containing nanocatalysts (20 nm, 60 nm and 90 nm were used and the results showed increases of up to 8° in API gravity, 26% desulfurization and 27% reduction in the asphaltene content of the upgraded product in comparison to the control reaction using inert sand. The iron nanocatalysts were characterized by SEM, XPS, EDAX, and Mössbauer spectroscopy before and after the upgrading reactions. The results indicated the presence of hematite (Fe2O3 as the predominant iron phase. The data showed that the catalysts were deactivating by particle sintering (~20% increase in particle size and also by carbon deposition. Probable mechanisms of reactions are proposed.

  19. Steam reforming of liquid hydrocarbons over a nickel-alumina spinel catalyst

    Science.gov (United States)

    Fauteux-Lefebvre, Clémence; Abatzoglou, Nicolas; Blanchard, Jasmin; Gitzhofer, François

    Interest in steam reforming of liquid hydrocarbons is growing due to the necessity of developing reliable alternatives for their use in fuel cells. In particular, solid oxide fuel cells, which can operate with mixtures of H 2 and CO, are excellent candidates for being fed with liquid fuels coming from both fossil and renewable sources. Fossil-derived, synthetic diesel is an interesting option. In this work, an Al 2O 3-ZrO 2-supported nickel-alumina spinel was tested in a lab-scale isothermal packed-bed reactor as a catalyst of steam reforming of propane, hexadecane and tetralin as surrogates of constitutive families of all commercially available diesel fuels. The results show that the reaction reaches equilibrium at reaction severities lower than those reported in the literature. When operated at steam excess of 250%, carbon formation is not higher than expected by theoretical thermodynamic equilibrium calculations, and no significant catalyst deactivation is observed over the test durations. Scanning electron microscopy of the fresh and used catalyst surfaces shows no significant quantities of carbon.

  20. Serotonin-stimulated phosphoinositide turnover: mediation by the S2 binding site in rat cerebral cortex but not in subcortical regions

    Energy Technology Data Exchange (ETDEWEB)

    Conn, P.J.; Sanders-Bush, E.

    1985-07-01

    In rat cerebral cortex, serotonin (5-HT) stimulates phosphoinositide turnover with an EC50 of 1 microM in the presence of pargyline. The EC50 is 16-fold higher in the absence of pargyline. Selective S2 antagonists inhibit 5-HT-stimulated phosphoinositide turnover. Schild analysis of the blockade by ketanserin of the 5-HT effect gives an estimated Kd of ketanserin for the phosphoinositide-linked receptor of 11.7 nM, which agrees with the Kd (3.5 nM) of (/sup 3/H)ketanserin for the S2 site. Furthermore, MK-212, 5-HT and 5-fluorotryptamine stimulate phosphoinositide turnover with potencies that resemble their potencies at the S2 but not the S1 binding site. Of 11 agonists tested, the tryptamine derivatives tend to be more efficacious than the piperazine derivatives. The selective S1 agonist 8-hydroxy-2-(di-N-propylamino)tetralin is inactive at stimulating phosphoinositide turnover. No significant relationship exists between the regional distributions of 5-HT-stimulated phosphoinositide turnover and S2 binding sites. Furthermore, the S2 antagonist ketanserin is less potent and less efficacious in hippocampus and limbic forebrain than in cerebral cortex. These data suggest that 5-HT-stimulated phosphoinositide turnover is linked to the S2 binding site in rat cerebral cortex. However, 5-HT increases phosphoinositide turnover in subcortical regions by mechanisms other than stimulation of the S2 receptor.

  1. Interaction between anti-Alzheimer and antipsychotic drugs in modulating extrapyramidal motor disorders in mice

    Directory of Open Access Journals (Sweden)

    Saki Shimizu

    2015-04-01

    Full Text Available Antipsychotics are often used in conjunction with anti-Alzheimer drugs to treat the behavioral and psychological symptoms of dementia (BPSD. Here, we examined the effects of cholinesterase inhibitors (ChEIs, donepezil and galantamine, on antipsychotic-induced extrapyramidal side effects (EPS in mice. The effects of serotonergic agents on the EPS drug interaction were also evaluated. Donepezil (0.3–3 mg/kg did not induce EPS signs by itself; however, it significantly potentiated bradykinesia induction with a low dose of haloperidol (0.5 mg/kg in dose-dependent and synergistic manners. Galantamine (0.3–3 mg/kg elicited mild bradykinesia at a high dose and dose-dependently augmented haloperidol-induced bradykinesia. The EPS potentiation by galantamine was blocked by trihexyphenidyl (a muscarinic antagonist, but not by mecamylamine (a nicotinic antagonist. In addition, the bradykinesia potentiation by galantamine was significantly reduced by (±-8-hydroxy-2-(di-n-propylamino-tetralin (a 5-HT1A agonist, ritanserin (a 5-HT2 antagonist, and SB-258585 (a 5-HT6 antagonist. The present results give us a caution for the antipsychotics and ChEIs interaction in inducing EPS in the treatment of BPSD. In addition, second generation antipsychotics, which can stimulate 5-HT1A receptors or antagonize 5-HT2 and 5-HT6 receptors, seem to be favorable as an adjunctive therapy for BPSD.

  2. Reaction of carbon-14-labeled reagents with coal

    Energy Technology Data Exchange (ETDEWEB)

    Collins, C. J.; Raaen, V. F.; Hilborn, C.; Roark, W. H.; Maupin, P. H.

    1980-01-01

    Both asphaltenes and preasphaltenes from Illinois No. 6 vitrain exhibit enhanced uptake of /sup 14/CH/sub 2/N/sub 2/ after air exposure. Preasphaltenes however exhibit decreased /sup 14/CC1/sub 2/ uptake after oxygen treatment. These results are in agreement with a scheme in which aryl alkyl ethers and benzylic-type linkages are oxidized to ketones and then carboxylic acids. Heat treatment of Wyodak coal appears to destroy most of the aryl alkyl ethers present, since HBr-treated Wyodak, after reacting with diazomethane-/sup 14/C contains twice the acid-hydrolyzable methyl-/sup 14/C groups exhibited by heat-treated Wyodak. Thermolysis of ..cap alpha..-naphthol-/sup 14/C and of ..beta..-naphthol-/sup 14/C in the presence of Illinois No. 6 coal results in loss of hydroxyl to produce water as well as in alkylation of the naphthalene nucleus, processes which we presume also occur in the phenolic moieties in the coal itself. Thiophenol-/sup 14/C yields hydrogen sulfide, toluene, ethylbenzene, thianthrene, and dibenzothiophene. The results for the thermolyses of ..cap alpha..- and ..beta..-naphthol-/sup 14/C and of thiophenol-/sup 14/C are explained through free radical mechanisms quite similar to those previously postulated for the thermolyses of model compounds in the presence of tetralin.

  3. Hippocampal serotonin-1A receptor function in a mouse model of anxiety induced by long-term voluntary wheel running.

    Science.gov (United States)

    Fuss, Johannes; Vogt, Miriam A; Weber, Klaus-Josef; Burke, Teresa F; Gass, Peter; Hensler, Julie G

    2013-10-01

    We have recently demonstrated that, in C57/Bl6 mice, long-term voluntary wheel running is anxiogenic, and focal hippocampal irradiation prevents the increase in anxiety-like behaviors and neurobiological changes in the hippocampus induced by wheel running. Evidence supports a role of hippocampal 5-HT1A receptors in anxiety. Therefore, we investigated hippocampal binding and function of 5-HT1A receptors in this mouse model of anxiety. Four weeks of voluntary wheel running resulted in hippocampal subregion-specific changes in 5-HT1A receptor binding sites and function, as measured by autoradiography of [(3) H] 8-hydroxy-2-(di-n-propylamino)tetralin binding and agonist-stimulated binding of [(35) S]GTPγS to G proteins, respectively. In the dorsal CA1 region, 5-HT1A receptor binding and function were not altered by wheel running or irradiation. In the dorsal dentate gyrus and CA2/3 region, 5-HT1A receptor function was decreased by not only running but also irradiation. In the ventral pyramidal layer, wheel running resulted in a decrease of 5-HT1A receptor function, which was prevented by irradiation. Neither irradiation nor wheel running affected 5-HT1A receptors in medial prefrontal cortex or in the dorsal or median raphe nuclei. Our data indicate that downregulation of 5-HT1A receptor function in ventral pyramidal layer may play a role in anxiety-like behavior induced by wheel running. Copyright © 2013 Wiley Periodicals, Inc.

  4. Surface planarization effect of siloxane derivatives in organic semiconductor layers

    Energy Technology Data Exchange (ETDEWEB)

    Sakanoue, Kei [Center for Organic Photonics and Electronics Research, Kyushu University, Nishi-ku, Fukuoka 819-0395 (Japan); Harada, Hironobu; Ando, Kento [Department of Chemical Engineering, Graduate School of Engineering, Kyushu University, Nishi-ku, Fukuoka 819-0395 (Japan); Yahiro, Masayuki [Institute of Systems, Information Technologies and Nanotechnologies, 2-1-22, Sawara-ku, Fukuoka 814-0001 (Japan); Fukai, Jun, E-mail: jfukai@chem-eng.kyushu-u.ac.jp [Department of Chemical Engineering, Graduate School of Engineering, Kyushu University, Nishi-ku, Fukuoka 819-0395 (Japan)

    2015-12-31

    The ability of siloxane surface control additives (SCAs) to planarize organic semiconductor films with a thickness of tens of nanometers printed on indium tin oxide (ITO) surfaces with stripe-patterned bank structures using a liquid-phase method is demonstrated. Three types of SCAs with different molecular structures are examined in organic solutions of toluene, anisole and tetralin containing N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)-benzidine as a solute and typical organic semiconductor. While there is an optimum SCA and concentration for each solution, one type of SCA is comprehensively effective for all solutions. This SCA increased contact angle, which is contrary to the typical behavior of SCAs. Scanning electron microscope images of the thin films near the banks reveal that this SCA did not change the contact area between the film and substrate surface, which is related to the effectiveness of the SCA. SCAs did not affect the current–voltage characteristics of green organic light-emitting diodes, but did increase external quantum efficiencies, suggesting that SCAs can be used to improve the quality of solution-deposited films for use in optical devices. - Highlights: • Surface control additives planarize organic semiconductor films coated on surfaces. • The most effective additive increases the contact angle of solutions during drying. • The effect of additives is deduced from solutal Marangoni forces. • Additives have little effect on organic light-emitting diode performance.

  5. Common solvent toxicity: autoxidation of respiratory redox-cyclers enforced by membrane derangement

    Energy Technology Data Exchange (ETDEWEB)

    Garbe, T.R.; Yukawa, H. [Research Inst. of Innovative Technology for the Earth (RITE), Kyoto (Japan)

    2001-08-01

    Unspecific biological effects of chemically diverse solvents strikingly reveal the unifying motif of oxidant toxicity both in higher organisms and in aerobic bacteria. In a few spectacular cases, solvent metabolites with oxidant properties were demonstrated, which however cannot explain extrahepatic toxicity, e.g. in muscle and nerve cells. A common source of solvent-inducible oxidants, by contrast, is suggested to be located in mitochondria or, more general, in membranes where the respiratory chain operates. Orderly respiration depends on membrane integrity, which is invariably compromised by exposure to most solvents and many other lipophils. In rat mitochondria, toluene-induced membrane derangement has been directly implicated with superoxide production, resulting from autoxidation of the membrane-located respiratory redox-cycler ubisemiquinone. A related mechanism may occur in bacteria: Exposure of Escherichia coli to lipophils such as ethanol, tetralin, indole, chlorpromazine and procaine, or to heat shock, induces anti-oxidant proteins, which are reliable indicators of increased oxidant levels. Although many molecular details remain to be elucidated, this review documents that oxidant toxicity of lipophilic compounds is a common physiological phenomenon correlated with derangement of membranes where respiratory processes take place. Subjective consequences of acute oxidant injury are probably the hangover from alcohol and nicotine consumption, and the sudden death from recreational solvent abuse. Suggestions concerning oxidants as major contributors to ageing remain unchallenged. (orig.)

  6. A well-refined in vitro model derived from human embryonic stem cell for screening phytochemicals with midbrain dopaminergic differentiation-boosting potential for improving Parkinson's disease.

    Science.gov (United States)

    Hsieh, Wen-Ting; Chiang, Been-Huang

    2014-07-09

    Stimulation of endogenous neurogenesis is a potential approach to compensate for loss of dopaminergic neurons of substantia nigra compacta nigra (SNpc) in patients with Parkinson's disease (PD). This objective was to establish an in vitro model by differentiating pluripotent human embryonic stem cells (hESCs) into midbrain dopaminergic (mDA) neurons for screening phytochemicals with mDA neurogenesis-boosting potentials. Consequently, a five-stage differentiation process was developed. The derived cells expressed many mDA markers including tyrosine hydroxylase (TH), β-III tubulin, and dopamine transporter (DAT). The voltage-gated ion channels and dopamine release were also examined for verifying neuron function, and the dopamine receptor agonists bromocriptine and 7-hydroxy-2-(dipropylamino)tetralin (7-OH-DPAT) were used to validate our model. Then, several potential phytochemicals including green tea catechins and ginsenosides were tested using the model. Finally, ginsenoside Rb1 was identified as the most potent phytochemical which is capable of upregulating neurotrophin expression and inducing mDA differentiation.

  7. Hydrogenation of diesel aromatic compounds in supercritical solvent environment

    Directory of Open Access Journals (Sweden)

    E.P. Martins

    2000-09-01

    Full Text Available Reactions under supercritical conditions have been employed in many processes. Furthermore, an increasing number of commercial reactions have been conducted under supercritical or near critical conditions. These reaction conditions offer several advantages when compared to conditions in conventional catalytic processes in liquid-phase, gas-liquid interface, or even some gas-phase reactions. Basically, a supercritical solvent can diminish the reactant’s transport resistance from the bulk region to the catalyst surface due to enhancement of liquid diffusivity values and better solubility than those in different phases. Another advantage is that supercritical solvents permit prompt and easy changes in intermolecular properties in order to modify reaction parameters, such as conversion or selectivity, or even proceed with the separation of reaction products. Diesel fractions from petroleum frequently have larger than desirable quantities of aromatic compounds. Diesel hydrogenation is intended to decrease these quantities, i.e., to increase the quantity of paraffin present in this petroleum fraction. In this work, the hydrogenation of tetralin was studied as a model reaction for the aromatic hydrogenation process. A conventional gas-liquid-solid catalytic process was compared with that of supercritical carbon dioxide substrate under similar conditions. Additionally, an equilibrium conversion diagram was calculated for this reaction in a wide range of temperature and reactant ratios, so as to optimize the operational conditions and improve the results of subsequent experiments. An increase in the rate of reaction at 493 K in supercritical fluid, as compared to that in the conventional process, was observed.

  8. Catalytic hydroliquefaction of coal: about the methodology in batch experiments

    Energy Technology Data Exchange (ETDEWEB)

    Besson, M.; Bacaud, R.; Charcosset, H.; Cebolla-Burillo, V.; Oberson, M.

    1986-03-01

    The results of catalytic hydroliquefaction under batch conditions depend on a large number of variables. The present results concern a few of these variables, in particular the influence of the catalyst concentration, of the mode of sulfidation or (and) of introduction of the catalyst in the coal/solvent mixture, and of the nature of the model compound solvent. The results indicate that increasing the concentration of catalyst increase the conversion of coal into toluene soluble products and the hydrogen consumption but has a small effect on oil formation. An inhibition of the figst fractions of a NiMo/Al/sub 2/O/sub 3/ catalyst added is shown. Strong effects of the sulfiding mode of an iron oxide catalyst, and of the temperature of introduction of the iron oxide into the autoclave are observed relative to the hydrogenation activity of the iron catalyst, when at the same time there is no influence on coal conversions. The replacement of tetralin by a non-donor solvent, 1-methylnaphthalene, suggests that the direct hydrogen transfer process from molecular hydrogen to coal fragment radicals on the catalyst surface may be important. 9 tabs., 4 firs., 16 refs.

  9. Investigation of the existence of coal matrix effects on the hydroliquefaction of vitrinites derived from low rank Spanish coals

    Energy Technology Data Exchange (ETDEWEB)

    Cebolla, V.L.; Martinez, M.T.; Prado, J.G.; Miranda, J.L.; Fernandez, I.; Benito, A.M. (Instituto de Carboquimica, Zaragoza (Spain))

    1994-01-01

    Two lignites (Mequinenza, Spain) and two subbituminous coals (Teruel, Spain), their demineralized derivatives (HCl/HF+HCl) and their corresponding derived vitrinite concentrates were submitted to hydroliquefaction in tetralin in fixed conditions to study a possible synergism of vitrinite concentrates in the original coal matrix. Sufficiently pure amounts of vitrinite concentrates were isolated by a method based on differential centrifugation in CsCl. The coals were characterized by densimetric and petrographic analyses including reflectance-frequency distributions. A synergism for vitrinite concentrates related to the demineralized coals has not been found here because all the vitrinite concentrates, once separated, have similar or higher reactivity than in the corresponding original coal matrix. On the other hand, the studied lignite-derived vitrinite concentrates have proved to be much more reactive than the subbituminous-derived ones. Displacements of Absorbance-Density curves and maxima toward higher densities (densimetric analyses data) and appearance of V-4 vitrinite type structures (coal reflectograms) in the case of the subbituminous coals imply differences in chemical structures for the lignite and the subbituminous derived vitrinite concentrates which could explain the differences in reactivity. 22 refs., 3 figs., 2 tabs.

  10. Establishment of Radiolabelling Method for the Development of Neurodegenerative Disease Imaging Agent Using 5-HT{sub 1A} Subtype of Receptor Anatagonist

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Sun Ju; Choi, Sang Mu; Kim, On Hee; Hong, Young Don; Park, Kyung Bae [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2005-07-01

    The 5-HT1A subtype of receptors for the neurotransmitter serotonin is predominantly located in the limbic forebrain. And it is involved in the modulation of emotion and the function of the hypothalamus. Since 5-HT1A receptors are implicated in the pathogenesis of anxiety, depression, hallucinogenic behaviour, motion sickness and eating disorders, they are an important target for drug therapy and diagnosis of diseases. Serotonin is synthesized from the amino acid L-tryptophan by sequential hydroxylation and decarboxylation. It is stored in presynaptic vesicles and released from nerve terminals during neuronal firing. One of the best-characterised binding sites for serotonin is the 5-HT1A receptor. This is mainly due to the relatively early discovery of a selective ligand, 8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) for this subpopulation. Thus, many researchers have tried to develop a radioligand capable of assessing in vivo changes in 5-HT1A receptors in depressed subjects, people with anxiety disorders, patients with Alzheimer's disease and schizophrenics. In present study, we studied the radioligands which would play a role in visualization and quantification of this important neuroreceptor for single-photon emission tomography (SPET)

  11. Ultrasound-induced cracking and pyrolysis of some aromatic and naphthenic hydrocarbons.

    Science.gov (United States)

    Cataldo, F

    2000-01-01

    The action of intense ultrasound on solutions of decahydronaphthalene (decalin) or tetrahydronaphthalene (tetralin) causes, in both cases, a dehydrogenation reaction at room temperature. According to thermodynamic calculations, temperatures as high as 500 degrees C are necessary to achieve the same results. The use of Pd and Se as dehydrogenation catalysts has confirmed the dehydrogenation reactions. Benzene and toluene sonication at room temperature causes aromatic ring breakdown with formation of acetylene and other products. The analogy with radiolysis was noticed. A thermodynamic analysis was conducted on the possible reaction products formed from benzene ring cleavage including polymerization products. It was concluded that acetylene formation from benzene is possible for instance at 650 degrees C only if it is accompanied by coke formation. Otherwise temperatures as high as 1700 degrees C are needed. The nature of the 'coke' formed during sonication is discussed, it was revealed by FT-IR spectroscopy to be a crosslinked polystyrene and hence it is a sonopolymer derived from benzene or toluene ring breakdown products reacted with phenyl and polyphenyl radicals. Again the striking analogy between the IR spectrum of irradiated polystyrene and benzene sonopolymer was noticed. The formation of poly-p-phenylene was excluded by the FT-IR pattern which did not match that of an authentic sample.

  12. Novel process for depolymerization of coal to C{sub 2}-C{sub 4} hydrocarbons. Final report, 1 September 1989--31 August 1993

    Energy Technology Data Exchange (ETDEWEB)

    Wiser, W.H.; Oblad, A.G.

    1994-07-08

    A principal objective of this work was to study the conversion of coal to C{sub 2} {minus} C{sub 4} hydrocarbons in a two-stage reactor system. Coal was converted to liquids at 440{degrees}C in a stirred batch autoclave using tetralin as the hydrogen donor solvent. The liquids produced were separated from the unreacted coal and ash by filtration. The liquids were then fed into a second stage fixed bed reactor containing sulfided Ni-Mo/Al{sub 2}O{sub 3} and SiO{sub 2{minus}}Al{sub 2}O{sub 3} catalyst. The liquids were hydrocracked on the dual functional catalyst giving high yields of C{sub 2} {minus} C{sub 4}. hydrocarbons. The pressure was 1800 psi and the temperatures were in the range of 425 to 500{degrees}C. The kinetic parameters of the conversion of coal liquids to gases were determined. The activation energy was determined.

  13. Part 1. The effect of microwave receptors on the liquefaction of Turkish coals by microwave energy in a hydrogen donor solvent

    Energy Technology Data Exchange (ETDEWEB)

    Emine Yagmur; Taner Togrul [Ankara University, Ankara (Turkey). Faculty of Engineering, Department of Chemical Engineering

    2005-12-01

    The effects of microwave receptors to coal (receptor/coal) ratio and the period of heating by microwave energy on the solubilization of Turkish coals (Tuncbilek, Mugla-Yatagan, Beypazari lignites, and Zonguldak bituminous coal) in tetralin have been investigated. V{sub 2}O{sub 5} and TiO{sub 2} were used as microwave receptors. The changes of liquid product yield indicated that it depended significantly on the type and amount of receptor and the type of coal. A significant increase in the lignite conversions to oil fractions was observed by the addition of the V{sub 2}O{sub 5} receptor. The use of TiO{sub 2} receptor decreased the yield of THF soluble coal products. However, both V{sub 2}O{sub 5} and TiO{sub 2} receptors decreased the yield of preasphaltene (PAS) and asphaltene (AS) due to their catalytic effect on the coal liquefaction. 15 refs., 9 figs., 1 tab.

  14. Increase in serotonin 5-HT sub 1A receptors in prefrontal and temporal cortices of brains from patients with chronic schizophrenia

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, Takeshi; Nishino, Naoki; Nakai, Hisao; Tanaka, Chikako (Kobe Univ. School of Medicine (Japan))

    1991-01-01

    Binding studies with ({sup 3}H)8-hydroxy-2-(di-n-propylamino)tetralin (({sup 3}H)8-OH-DPAT), a specific serotonin{sub 1A} (5-HT{sub 1A}) receptor agonist, were done on the autopsied brains from control subjects and from patients with chronic schizophrenia. In the controls, representative Scatchard plots for the specific ({sup 3}H)8-OH-DPAT bindings in the prefrontal cortex and hippocampus revealed a single component of high affinity binding site. The ({sup 3}H)8-OH-DPAT bindings to the prefrontal cortex and hippocampus were potently inhibited by serotonin and 5-HT{sub 1A} agonists, while other neurotransmitters, 5-HT{sub 2} and 5-HT{sub 3} related compounds did not inhibit the binding. The bindings were decreased in the presence of 0.1mM GTP and 0.1mM GppNHp but not in the presence of 0.1mM GMP. In the prefrontal and temporal cortices of schizophrenics, there was a significant increase in the specific ({sup 3}H)8-OH-DPAT binding, by 40% and 60%, respectively, with no change in the hippocampus, amygdala, cingulum, motor cortex, parietal or occipital cortex, as compared to findings in the controls.

  15. Role of cortical and striatal 5-HT1A receptors in alleviating antipsychotic-induced extrapyramidal disorders.

    Science.gov (United States)

    Shimizu, Saki; Tatara, Ayaka; Imaki, Junta; Ohno, Yukihiro

    2010-08-16

    Previous studies have revealed that 5-HT(1A) agonists ameliorate antipsychotic-induced extrapyramidal symptoms (EPS) through postsynaptic 5-HT(1A) receptors. Here, we conducted an intracerebral microinjection study of (+/-)-8-hydroxy-2-(di-n-propylamino)-tetralin ((+/-)8-OH-DPAT) to determine the action site of the 5-HT(1A) agonist in alleviating EPS. Bilateral microinjection of(+/-)8-OH-DPAT (5 microg/1microL per side) either into the primary motor cortex (MC) or the dorsolateral striatum (dlST) significantly attenuated haloperidol-induced catalepsy in rats. The anticataleptic action of (+/-)8-OH-DPAT was more prominent with the MC injection than with the dlST injection. WAY-100135 (a selective 5-HT(1A) antagonist) completely antagonized the reversal of haloperidol-induced catalepsy both by intracortical and intrastriatal (+/-)8-OH-DPAT. Furthermore, lesioning of dopamine neurons with 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (30 mg/kg/day, i.p., for 4 days) did not alter the anti-EPS actions of (+/-)8-OH-DPAT in a mouse pole test. The present results strongly suggest that 5-HT(1A) agonist alleviates antipsychotic-induced EPS by activating postsynaptic 5-HT(1A) receptors in the MC and dlST, probably through non-dopaminergic mechanisms. Copyright (c) 2010 Elsevier Inc. All rights reserved.

  16. HIGH TEMPERATURE HIGH PRESSURE THERMODYNAMIC MEASUREMENTS FOR COAL MODEL COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    Vinayak N. Kabadi

    2000-05-01

    The flow VLE apparatus designed and built for a previous project was upgraded and recalibrated for data measurements for this project. The modifications include better and more accurate sampling technique, addition of a digital recorder to monitor temperature and pressure inside the VLE cell, and a new technique for remote sensing of the liquid level in the cell. VLE data measurements for three binary systems, tetralin-quinoline, benzene--ethylbenzene and ethylbenzene--quinoline, have been completed. The temperature ranges of data measurements were 325 C to 370 C for the first system, 180 C to 300 C for the second system, and 225 C to 380 C for the third system. The smoothed data were found to be fairly well behaved when subjected to thermodynamic consistency tests. SETARAM C-80 calorimeter was used for incremental enthalpy and heat capacity measurements for benzene--ethylbenzene binary liquid mixtures. Data were measured from 30 C to 285 C for liquid mixtures covering the entire composition range. An apparatus has been designed for simultaneous measurement of excess volume and incremental enthalpy of liquid mixtures at temperatures from 30 C to 300 C. The apparatus has been tested and is ready for data measurements. A flow apparatus for measurement of heat of mixing of liquid mixtures at high temperatures has also been designed, and is currently being tested and calibrated.

  17. Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, October-December 1984

    Energy Technology Data Exchange (ETDEWEB)

    Yesavage, V.F.; Kidnay, A.J.

    1985-01-31

    On July 15, 1984, work was initiated on a program to study the enthalpy and phase behavior of coal derived liquid model compound mixtures. During the second quarter efforts were limited to ordering and installing equipment to improve the operability of the calorimeter and phase behavior system. The program is now up to full staffing levels and data collection will begin this next quarter. The objectives of this program are to study the enthalpy and phase behavior of a selected ternary model compound system, representative of interactions present in coal derived liquids. Measurements will be made in a Freon 11 reference fluid boil off calorimeter, and an equilibrium flash vaporization apparatus. These experimental systems have already been developed. Previous studies have indicated that existing data and correlations developed for petroleum fluids are not applicable to coal derived liquids. This is due to the presence of significant concentrations of polar associating heteroatomics in the predominantly aromatic coal liquids. Thus, the ternary system will include an aromatic, a basic nitrogen compound, and a cresol. It is presently planned to study the tetralin/quinoline/m-cresol ternary mixture. Measurements will be made over a wide range of temperature (200 to 700/sup 0/C) and pressure (20 to 1500 psia), for the three pure compounds.

  18. HIGH TEMPERATURE HIGH PRESSURE THERMODYNAMIC MEASUREMENTS FOR COAL MODEL COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    Vinayak N. Kabadi

    2000-05-01

    The Vapor Liquid Equilibrium measurement setup of this work was first established several years ago. It is a flow type high temperature high pressure apparatus which was designed to operate below 500 C temperature and 2000 psia pressure. Compared with the static method, this method has three major advantages: the first is that large quantity of sample can be obtained from the system without disturbing the equilibrium state which was established before; the second is that the residence time of the sample in the equilibrium cell is greatly reduced, thus decomposition or contamination of the sample can be effectively prevented; the third is that the flow system allows the sample to degas as it heats up since any non condensable gas will exit in the vapor stream, accumulate in the vapor condenser, and not be recirculated. The first few runs were made with Quinoline-Tetralin system, the results were fairly in agreement with the literature data . The former graduate student Amad used the same apparatus acquired the Benzene-Ethylbenzene system VLE data. This work used basically the same setup (several modifications had been made) to get the VLE data of Ethylbenzene-Quinoline system.

  19. Coprocessing of a Turkish lignite with a cellulosic waste material. Part 3. A statistical study on product yields and total conversion

    Energy Technology Data Exchange (ETDEWEB)

    Karaca, Fatma; Bolat, Esen; Dincer, Salih [Chemical and Metallurgical Engineering Faculty, Chemical Engineering Department, Yildiz Technical University, Davutpasa-Esenler, Istanbul (Turkey)

    2002-02-20

    The objectives of this study were to evaluate statistically the effects of coprocessing parameters on liquefaction yields, to determine the key process variables affecting the oil+gas, oil and asphaltene yields and total conversion. A statistical experimental design based on Second Order Central Composite Design was planned fixing the liquefaction period at 1 h. Parameters such as temperature, initial cold pressure, tetralin/(lignite+sawdust) and sawdust/lignite ratios coded as x{sub 1}, x{sub 2}, x{sub 3} and x{sub 4}, respectively, were used. The parameters were investigated at five levels (-2, -1, 0, 1 and 2). The effects of these factors on dependent variables, namely, oil+gas, oil and asphaltene yields and total conversion were investigated. To determine the significance of effects, the analysis of variance with 99.9% confidence limits was used. It was shown that within the experimental ranges examined, temperature and sawdust/lignite ratio were the variables of highest significance for oil+gas yields, oil yields and total conversion.

  20. Advanced coal liquefaction. Final quarterly report, April 1, 1996--June 30, 1996

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-06-01

    Molecular level liquid phase separations were explored using modified microporous ceramic membrane with pore size reduced from 40{Angstrom} via chemical vapor deposition. At room temperature, membranes with pore sizes <30{Angstrom} were sufficient to achieve >97% rejection of Naphthyl-bibenzyl-methane (NBBM) from toluene, which was primarily attributed to size exclusion due to hindered diffusion. The rejection diminishes dramatically as the temperature is increased. At 400{degrees}C, very small pore sizes are required to separate NBBM from tetralin. In addition to size based separation, active transport at the surface of the membrane was observed at appropriate pore sizes. Also, it was found that the rejection increases along with the transmembrane pressure, probably attributed to the pore size distribution of the membrane. The smaller pore sizes become accessible to the solvent at the higher pressure. Decomposition of NBBM took place at 400{degrees}C in a modified membrane packed with the catalyst synthesized using the similar protocol as membranes. The separation property of this membrane at 400{degrees}C was analyzed indirectly based upon the reaction product distribution.

  1. Estimation of hydrogen bondings in coal utilizing FTir and differential scanning calorimetry (DSC); FTir to DSC wo mochiita sekitannai suiso ketsugo no teiryoteki hyoka no kokoromi

    Energy Technology Data Exchange (ETDEWEB)

    Mae, K.; Miura, K. [Kyoto University, Kyoto (Japan). Faculty of Engineering

    1996-10-28

    With an objective to know coal condensation structure which has influence on coal conversion reaction, an attempt was made on quantitative evaluation of hydrogen bonding in coal. Using as test samples the VDC made from Taiheiyo coal swollen by tetralin and vacuum-dried, and its pyrolyzed char, DSC measurement and Fourier transform infrared spectroscopy (FT) were performed. An FT spectrum comparison revealed that the VDC swollen at 220{degree}C has the hydrogen bonding relaxed partly from the original coal. However, since the change is in a huge coal molecular structure restraining space, it has stopped at relaxation of the bonding energy without causing separation as far as free radicals. On the other hand, the DSC curve shows that the VDC has slower endothermic velocity than the original coal. In other words, the difference in heat absorption amounts in both materials is equivalent to the difference of enthalpy ({Delta} H) of both materials, which corresponds to the relaxation of the hydrogen bonding. Therefore, the {Delta} H was related to wavenumber shift of the FT spectra (which corresponds to change in the hydrogen bonding condition). By using this relationship, a method for evaluating hydrogen bonding distribution was proposed from an O-H contracting vibration change that can be measured by using the FT spectra and a thermal change that can be measured by using the DSC. 3 refs., 7 figs.

  2. Chemistry and structure of coal-derived asphaltenes, Phase III. Quarterly progress report, July--September 1978

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T. F.

    1978-01-01

    Preparative scale GPC separation of Synthoil asphaltene was carried out on styrene-divinyl benzene packing (Bio-Beads S-X8). The elution took place in the order of high to low molecular weight. Analyses indicate that aromatic ring systems with large saturated substituents elute first followed by more aromatic molecules with less saturated substituents. Infrared measurements on coal-derived asphaltenes were carried out with a large path cell (1 cm) in order to measure absorbance as a function of concentration in dilute solution down to 0.3 g/l where association between asphaltenes is not significant. VPO molecular weight studies indicate that coal-derived oils and resins undergo very little association in the solvent THF in the range 4 to 30 g/l in contrast to coal-derived asphaltenes and benzene insolubles. Thermal treatment of a Synthoil Coal liquid solvent fraction (oil + resin), in tetralin (1:2 wt. ratio) at 232/sup 0/C for 20 h resulted in the transformation of 3 to 10% of the oil + resin into asphaltene. These results support the proposed reversibility of coal liquefaction steps. Pryolysis of coal-derived asphaltenes has been shown to produce residues that are characteristic of coalesced mesophase. Asphaltenes from three liquefaction processes, Catalytic Incorporatd SRC, Synthoil, and FMC-COED, were pyrolyzed under a nitrogen atmosphere at 20/sup 0/C/h to 360/sup 0/C and at 5/sup 0/C/h to 420/sup 0/C. Crossed polarized light reflection micrographs showed a coarse deformed structure for Synthoil asphaltene, a course, but not deformed structure for Catalytic Inc. asphaltne, and a fine isotropic structure for FMC-COED asphaltene.

  3. An extensible framework for capturing solvent effects in computer generated kinetic models.

    Science.gov (United States)

    Jalan, Amrit; West, Richard H; Green, William H

    2013-03-14

    Detailed kinetic models provide useful mechanistic insight into a chemical system. Manual construction of such models is laborious and error-prone, which has led to the development of automated methods for exploring chemical pathways. These methods rely on fast, high-throughput estimation of species thermochemistry and kinetic parameters. In this paper, we present a methodology for extending automatic mechanism generation to solution phase systems which requires estimation of solvent effects on reaction rates and equilibria. The linear solvation energy relationship (LSER) method of Abraham and co-workers is combined with Mintz correlations to estimate ΔG(solv)°(T) in over 30 solvents using solute descriptors estimated from group additivity. Simple corrections are found to be adequate for the treatment of radical sites, as suggested by comparison with known experimental data. The performance of scaled particle theory expressions for enthalpic-entropic decomposition of ΔG(solv)°(T) is also presented along with the associated computational issues. Similar high-throughput methods for solvent effects on free-radical kinetics are only available for a handful of reactions due to lack of reliable experimental data, and continuum dielectric calculations offer an alternative method for their estimation. For illustration, we model liquid phase oxidation of tetralin in different solvents computing the solvent dependence for ROO• + ROO• and ROO• + solvent reactions using polarizable continuum quantum chemistry methods. The resulting kinetic models show an increase in oxidation rate with solvent polarity, consistent with experiment. Further work needed to make this approach more generally useful is outlined.

  4. The zebra mussel (Dreissena polymorpha), a new pest in North America: reproductive mechanisms as possible targets of control strategies

    Science.gov (United States)

    Ram, Jeffrey L.; Fong, Peter; Croll, Roger P.; Nichols, Susan J.; Wall, Darcie

    1992-01-01

    The zebra mussel (Dreissena polymorpha) has spread rapidly in temperate fresh waters of North America since its introduction into the Great Lakes in 1985 or 1986. It attaches to hard substrates, forming layers, occluding water intakes, encrusting and killing native mussels, filtering algae in competition with other planktivores, and possibly interfering with fish spawning. It reproduces prolifically, suggesting that an approach to its control may be by controlling its reproduction. Previous literature suggests that spawning in bivalves is regulated by both environmental and internal chemical cues. A suggested sequence is that phytoplankton chemicals initially trigger spawning; chemicals associated with gametes provide a species-specific pheromonal positive feedback for spawning; and the response to environmental chemicals is mediated internally by serotonin (5-HT). The role of 5-HT in zebra mussels is under investigation. Both males and females can be induced to spawn by either injection or external application of 5-HT. The response can also be activated by 8-hydroxy-2-(di-n-propylamino)-tetralin, an agonist at 5-HT1A receptors. HPLC analysis has detected 5-HT as the major biogenic amine in both male and female gonads. 5-HT immunocytochemistry demonstrates nerves containing serotonergic fibers innervating gonads of both males and females, with prominent varicosities surrounding the follicles in both sexes. A role of 5-HT in mediating spawning responses in zebra mussels is thus strongly supported. These studies have shown that reproductive behavior of zebra mussels can be modified by outside chemicals, a property that may be exploited for purposes of control.

  5. The upright posture improves plantar stepping and alters responses to serotonergic drugs in spinal rats

    Science.gov (United States)

    Sławińska, Urszula; Majczyński, Henryk; Dai, Yue; Jordan, Larry M

    2012-01-01

    Recent studies on the restoration of locomotion after spinal cord injury have employed robotic means of positioning rats above a treadmill such that the animals are held in an upright posture and engage in bipedal locomotor activity. However, the impact of the upright posture alone, which alters hindlimb loading, an important variable in locomotor control, has not been examined. Here we compared the locomotor capabilities of chronic spinal rats when placed in the horizontal and upright postures. Hindlimb locomotor movements induced by exteroceptive stimulation (tail pinching) were monitored with video and EMG recordings. We found that the upright posture alone significantly improved plantar stepping. Locomotor trials using anaesthesia of the paws and air stepping demonstrated that the cutaneous receptors of the paws are responsible for the improved plantar stepping observed when the animals are placed in the upright posture. We also tested the effectiveness of serotonergic drugs that facilitate locomotor activity in spinal rats in both the horizontal and upright postures. Quipazine and (±)-8-hydroxy-2-(dipropylamino)tetralin hydrobromide (8-OH-DPAT) improved locomotion in the horizontal posture but in the upright posture either interfered with or had no effect on plantar walking. Combined treatment with quipazine and 8-OH-DPAT at lower doses dramatically improved locomotor activity in both postures and mitigated the need to activate the locomotor CPG with exteroceptive stimulation. Our results suggest that afferent input from the paw facilitates the spinal CPG for locomotion. These potent effects of afferent input from the paw should be taken into account when interpreting the results obtained with rats in an upright posture and when designing interventions for restoration of locomotion after spinal cord injury. PMID:22351637

  6. Improved performance in coprocessing through fundamental and mechanistic studies in hydrogen transfer and catalysis. Final report, September 26, 1989--March 31, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Curtis, C.W.

    1993-12-31

    The key results obtained from this research project are given: (1) Hydrogen transfer from naphthenes to aromatics, coal and resid occurred at coprocessing temperatures and in a N{sub 2} atmosphere; (2) Hydrogen donors ranked in reactivity as cyclic olefins (nonaromatic hydroaromatic compounds) > hydroaromatic compounds > naphthenes. This ranking held regardless of the type of atmosphere, hydrogen or nitrogen, used; (3) Resids reduced by the Birch method transferred substantially more hydrogen to the aromatic acceptor than did the parent resids under coprocessing conditions; (4) Hydropretreatment of resids resulted in enhanced coal conversion compared to the parent resid; (5) Addition of hydrogen donors such as cyclic olefins or hydroaromatic donors increased the amount of coal conversion during coprocessing. Cyclic olefins and the active hydroaromatic donor, dihydroanthracene, showed the highest level of hydrogen donability. Tetralin and octahydroanthracene showed low reactivity; (6) Reduced resids were more effective in coprocessing than the parent resids, in terms of enhanced coal conversion; (7) Thermal and catalytic reactivity of cyclic olefins under nitrogen and hydrogen atmospheres was much higher than conventional hydroaromatic donors when no aromatic acceptor was present; (8) Reactivity of hydrogen donors was dependent upon the reactivity of the acceptor as well as that of the donors; (9) Three-ring hydrogen donors, dihydroanthracene and hexahydroanthracene, were most effective for transferring hydrogen to the Argonne coals while octahydroanthracene was the least reactive; (10) The kinetics data obtained for thermal and catalytic reactions involving cyclic olefins and hydroaromatic donors were adequately modeled by pseudo-first order kinetics; and (11) {Delta}G values calculated for cyclic olefins and hydroaromatic donors based on kinetics data adequately represented the reactivity observed experimentally.

  7. Solubilization of serotonin-1a and serotonin-1b binding sites from bovine brain

    Energy Technology Data Exchange (ETDEWEB)

    Asarch, K.B.; Shih, J.C.

    1987-05-01

    Serotonin1 (5-hydroxytryptamine1, 5-HT1) binding sites have been solubilized from bovine brain cortex using a mixture of 0.1% Nonidet P-40 and 0.3% digitonin in a low-salt buffer containing 0.1% ascorbic acid. The affinity of (/sup 3/H)5-HT for the soluble cortical binding sites (2.1 nM) is identical to its affinity at membrane-bound binding sites (2.1 nM). (/sup 3/H)8-Hydroxy-2-(di-n-propylamino)tetralin ((/sup 3/H)DPAT), a selective 5-HT1a radioligand, also binds to soluble cortical binding sites with high affinity (1.8 nM) comparable with its affinity in the crude membranes (1.7 nM). A significant correlation exists in the rank order potency of serotonergic agents for (/sup 3/H)5-HT binding and for (/sup 3/H)DPAT binding to crude and soluble membranes. The density of (/sup 3/H)DPAT binding sites relative to the (/sup 3/H)5-HT sites in the solubilized cortical membranes (35%) corresponds well with the proportion of 5-HT1a sites in the crude membranes determined by spiperone displacement (33%), suggesting that both the 5-HT1a and 5-HT1b binding sites have been cosolubilized. (/sup 3/H)5-HT binding in the soluble preparations was inhibited by GTP, suggesting that a receptor complex may have been solubilized. (/sup 3/H)Spiperone-specific binding was not detectable in this preparation, suggesting that 5-HT2 sites were not cosolubilized.

  8. Cooperative regulation of anxiety and panic-related defensive behaviors in the rat periaqueductal grey matter by 5-HT1A and μ-receptors.

    Science.gov (United States)

    Roncon, Camila M; Biesdorf, Carla; Coimbra, Norberto C; Audi, Elisabeth A; Zangrossi, Hélio; Graeff, Frederico G

    2013-12-01

    Previous results with the elevated T-maze (ETM) test indicate that the antipanic action of serotonin (5-HT) in the dorsal periaqueductal grey (dPAG) depends on the activation endogenous opioid peptides. The aim of the present work was to investigate the interaction between opioid- and serotonin-mediated neurotransmission in the modulation of defensive responses in rats submitted to the ETM. The obtained results showed that intra-dPAG administration of morphine significantly increased escape latency, a panicolytic-like effect that was blocked by pre-treatment with intra-dPAG injection of either naloxone or the 5-HT1A antagonist N-[2-[4-(2-methoxyphenyl)-1 piperazinyl] ethyl] -N- 2- pyridinyl-ciclohexanecarboxamide maleate (WAY-100635). In addition, previous administration of naloxone antagonized both the anti-escape and the anti-avoidance (anxiolytic-like) effect of the 5-HT1A agonist (±)-8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide (8-OH-DPAT), but did not affect the anti-escape effect of the 5-HT2A agonist (±)-2,5-dimethoxy-4-iodoamphetamine hydrochloride (DOI). Moreover, the combination of sub-effective doses of locally administered 5-HT and morphine significantly impaired ETM escape performance. Finally, the µ-antagonist D-PHE-CYS-TYR-D-TRP-ORN-THR-PEN (CTOP) blocked the anti-avoidance as well as the anti-escape effect of 8-OHDPAT, and the association of sub-effective doses of the µ-opioid receptor agonist [D-Ala(2), N-Me-Phe(4), Gly(5)-ol]-enkephalin acetate salt (DAMGO) and of 8-OHDPAT had anti-escape and anti-avoidance effects in the ETM. These results suggest a synergic interaction between the 5-HT1A and the µ-opioid receptor at post-synaptic level on neurons of the dPAG that regulate proximal defense, theoretically related to panic attacks.

  9. Steam pretreatment for coal liquefaction. Final report, September 26, 1990--March 18, 1995

    Energy Technology Data Exchange (ETDEWEB)

    Graff, R.A.; Balogh-Nair, V.; Ivanenko, O.; Brathwaite, C.

    1995-10-16

    The objective of this study is to demonstrate the use of subcritical steam to pretreat coal for slurry liquefaction, allowing liquefaction to be carried out at lower severity and improving product yield and quality. Samples of Illinois No. 6 coal were pretreated in 750 psia steam at 340{degree}C for 15 minutes. These samples, as well as raw coal, were liquefied at high (400{degree}C, 30 min.) and low (385{degree}C, 15 min.) severity conditions under 1500 psia hydrogen with tetralin as the donor solvent. Improved yields were obtained at both conditions. (Improved yields were not obtained at a liquefaction temperature of 350{degree}C as that put the sample into the region of retrogressive reactions). The deleterious effects of slow heating and exposure of the sample to air were demonstrated. Under low severity conditions, steam pretreatment more that doubled the oil yield, increasing it from 12.5 to 29 wt %. Tests were also conducted with aromatic ethers as model compounds. These were exposed to inert gas and steam at pretreatment conditions and in some cases to liquid water at 315{degree}C. {alpha}-Benzylnaphthyl ether and {alpha}- naphthylmethyl phenyl ether show little difference in conversion and product distribution when the thermolysis atmosphere is changed from inert gas to steam. However when these compounds were reacted in the presence of 5 {angstrom} zeolite, the yields of the thermolysis products improved. Zeolite proved effective in suppressing isomerization of the starting materials. These results suggested that zeolites might be beneficial in steam pretreatment of coal and in coal liquefaction. Pretreatment and liquefaction of mixtures of coal and zeolites increases yields of asphaltenes and preasphaltenes.

  10. Effects of sleep deprivation on serotonergic neuronal activity in the dorsal raphe nucleus of the freely moving cat.

    Science.gov (United States)

    Gardner, J P; Fornal, C A; Jacobs, B L

    1997-08-01

    Total sleep deprivation (TSD) for one or more nights produces a rapid antidepressant response in humans. Since most pharmacological treatments for depression increase brain serotonin neurotransmission, the purpose of the present study was to determine whether TSD increases the activity of serotonergic neurons in the dorsal raphe nucleus (DRN) in cats. Cats were prevented from sleeping by the experimenter, who monitored the behavioral state of each animal on a polygraph. Firing rates during quiet waking (QW) and active waking (AW) were obtained throughout a 24-h sleep deprivation period and subsequent 6-h recovery period. During the experiments, unit activity was also recorded during exposure to loud white noise, which elicited strong behavioral arousal. The inhibitory response of serotonergic DRN neurons to systemic administration of the selective 5-HT1A agonist 8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) was determined before and after TSD to assess possible changes in 5-HT1A autoreceptor sensitivity. TSD increased mean firing rates by as much as 18% during both AW and white noise exposure. Maximal effects were observed after 15 h of TSD for AW, and after 18 h for white noise. QW firing rates also tended to be elevated throughout TSD. Firing rates for all conditions during the recovery period were not significantly different from baseline. The neuronal inhibition produced by 8-OH-DPAT was significantly diminished after TSD. Overall, these results indicate that TSD increases the firing rate of serotonergic DRN neurons during AW and arousal. This effect may be attributable to a decrease in the sensitivity of 5-HT1A autoreceptors. These findings are consistent with the hypothesis that TSD exerts its antidepressant action, at least in part, through an activation of brain serotonergic neurons.

  11. Characterization of selected Ohio coals to predict their conversion behavior relative to 104 North American Coals. [Factors correlating with liquefaction behavior

    Energy Technology Data Exchange (ETDEWEB)

    Whitacre, T. P.; Hunt, T. J.; Kneller, W. A.

    1982-02-01

    Twenty-six coal samples from Ohio were collected as washed and seam samples, and lithobodies within the seams. Characterization of these samples included determination of % maceral, % anti R/sub max/, LTA, chlorine content and proximate/ultimate and qualitative mineral analyses. These data were compared to data from a similar project by Yarzab, R.F., et al., 1980 completed at Pennsylvania State University using tetralin as the hydrogen donor solvent. The characteristics of these coals were correlated with liquefaction conversion and other data accrued on 104 North American coals by statistical analyses. Utilizing percent carbon, sulfur, volatile matter, reflectance, vitrinite and total reactive macerals, Q-mode cluster analysis demonstrated that Ohio coals are more similar to the coals of the Interior province than to those of the Appalachian province. Linear multiple regression analysis for the 104 North American coals provided a prediction equation for conversion (R = .96). The predicted conversion values for the samples range from 58.8 to 79.6%, with the Lower Kittanning (No. 5) and the Middle Kittanning (No. 6) coal seams showing the highest predicted percent conversion (respectively, 73.4 and 72.2%). The moderately low FSI values for the No. 5 and No. 6 coals (respectively, 2.5 and 3) and their moderately high alkaline earth content (respectively, 0.69 and 0.74%) suggest that these coals possess the best overall properties for conversion. Stepwise regression has indicated that the most important coal characteristics affecting conversion are, in decreasing order of importance: % volatile matter, % vitrinite and % total sulfur. Conversion processes can be expected to produce higher yields with Ohio coals due to the presence of such mineral catalysts as pyrite and kaolinite. It is believed that the presence of these disposable catalysts increases the marketability of Ohio coals.

  12. Activation of dorsal raphe serotonin neurons is necessary for waiting for delayed rewards.

    Science.gov (United States)

    Miyazaki, Kayoko W; Miyazaki, Katsuhiko; Doya, Kenji

    2012-08-01

    The forebrain serotonergic system is a crucial component in the control of impulsive behaviors. We previously reported that the activity of serotonin neurons in the midbrain dorsal raphe nucleus increased when rats performed a task that required them to wait for delayed rewards. However, the causal relationship between serotonin neural activity and the tolerance for the delayed reward remained unclear. Here, we test whether the inhibition of serotonin neural activity by the local application of the 5-HT(1A) receptor agonist 8-hydroxy-2-(di-n-propylamino) tetralin in the dorsal raphe nucleus impairs rats' tolerance for delayed rewards. Rats performed a sequential food-water navigation task that required them to visit food and water sites alternately via a tone site to get rewards at both sites after delays. During the short (2 s) delayed reward condition, the inhibition of serotonin neural activity did not significantly influence the numbers of reward choice errors (nosepoke at an incorrect reward site following a conditioned reinforcer tone), reward wait errors (failure to wait for the delayed rewards), or total trials (sum of reward choice errors, reward wait errors, and acquired rewards). By contrast, during the long (7-11 s) delayed reward condition, the number of wait errors significantly increased while the numbers of total trials and choice errors did not significantly change. These results indicate that the activation of dorsal raphe serotonin neurons is necessary for waiting for long delayed rewards and suggest that elevated serotonin activity facilitates waiting behavior when there is the prospect of forthcoming rewards.

  13. Thermolysis of phenethyl phenyl ether: a model for ether linkages in lignin and low rank coal

    Energy Technology Data Exchange (ETDEWEB)

    Britt, P.F.; Buchanan, A.C.; Malcolm, E.A. [Oak Ridge National Laboratory, Oak Ridge, TN (United States). Division of Chemistry and Analytical Science

    1995-10-06

    The thermolysis of phenethyl phenyl ether (PPE) was studied at 330-425{degree}C to resolve the discrepancies in the reported mechanisms of this important model of the beta-ether linkage found in lignin and low rank coal. Cracking of PPE proceeded by two competitive pathways that produced styrene plus phenol and two previously undetected products, benzaldehyde plus toluene. The ratio of these pathways, defined as the alpha/beta selectivity, was 3.1 +/- 0.3 at 375{degree}C and independent of the PPE concentration. Thermolysis of PPE in tetralin, a model hydrogen donor solvent, increased the alpha/beta selectivity to 7 and accelerated the formation of secondary products. All the data were consistent with a free-radical chain mechanism for the decomposition of PPE. Styrene and phenol are produced by hydrogen abstraction at the alpha-carbon, beta-scission to form styrene and the phenoxy radical, followed by hydrogen abstraction. Benzaldehyde and toluene are formed by hydrogen abstraction at the beta-carbon, 1,2-phenyl migration from oxygen to carbon, beta-scission to form benzaldehyde, and the benzyl radical followed by hydrogen abstraction. Thermochemical kinetic estimates indicate that product formation is controlled by the relative rate of hydrogen abstraction at the alpha- and beta-carbons by the phenoxy radical (dominant) and benzyl radical (minor) since beta-scission and 1,2-phenyl migration are fast relative to hydrogen abstraction. Thermolysis of PhCD{sub 2}CH{sub 2}OPh and PhCH{sub 2}CD{sub 2}OPh was consistent with the previous results, indicating that there was no significant contribution of a concerted retro-ene pathway to the thermolysis of PPE.

  14. Repeated administration of low doses of cocaine enhances the sensitivity of 5-HT2 receptor function.

    Science.gov (United States)

    Darmani, N A; Martin, B R; Glennon, R A

    1992-03-01

    The acute and chronic effects of cocaine were evaluated on the 5-hydroxytryptamine (5-HT)-receptor 5-HT2 mediated behavioral function, the head-twitch response (HTR), in mice. In a recent study, we reported that the (+/-)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane HCl (DOI)-induced HTR was dose dependently reduced by cocaine via indirect stimulation of serotonergic 5-HT1A and adrenergic alpha 2 receptors. In the present investigation, the HTR was evoked by the nonselective 5-HT agonist 5-methoxy-N,N-dimethyltryptamine hydrogen oxolate (5-MeO-DMT). Cocaine by itself failed to produce HTR but dose dependently inhibited the 5-MeO-DMT-induced behavior. Cocaine's effects were not due to 5-HT3 antagonism since acute administration of the more potent 5-HT3 antagonist (ICS-205,930) failed to produce or modify the 5-MeO-DMT-induced behavior. During withdrawal from chronic cocaine treatment (5-20 mg/kg), 5-MeO-DMT-induced HTR was enhanced. Depending upon the cocaine dose used, the induced supersensitivity persisted up to 172 h following cessation of cocaine treatment. The mechanisms of cocaine-induced supersensitivity were further investigated using the more selective 5-HT2 agonist DOI. Withdrawal from a low-dose (0.03-1.25 mg/kg) chronic cocaine treatment caused the DOI-induced HTR to increase, whereas withdrawal from a 5- and 10-mg/kg cocaine regimen had no significant effect. The maximal effect persisted up to 36 h following termination of cocaine treatment. Relative to vehicle-exposed controls, withdrawal from cocaine treatment enhanced the inhibitory potency of the 5-HT1A agonist (+-)-8-hydroxy-2-(di-n-propylamino)tetralin HBr (8-OH-DPAT) on DOI-induced HTR.(ABSTRACT TRUNCATED AT 250 WORDS)

  15. Ash removal by hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Rank, V.; von Hartmann, G.B.

    1942-10-17

    This method for the production of high-quality electrode coke involved the hydrogenation of coal to a filterable bitumen product. The hydrogenation and splitting processes were carried out to end at high-molecular-weight bitumens with some lighter oils produced. Variations in temperature, pressure, and throughput determined the type and amount of bitumens. Proper conditions allowed sufficient middle oil for recirculation as pasting oil as well as for increasing filterability by dilution. This partial hydrogenation could be performed without the addition of hydrogen, if hydrogen-producing aromatic compounds, such as tetraline or cresol, were used as pasting oils. For 700-atm hydrogenation, it was found that the Upper Silesian coal was the best with respect to yield, filterability, and recovery of the recycle oils. The lower pressures gave a better filterability while sacrificing yield and recycle oil. The more severe the hydrogenating conditions, the lighter the bitumens and the lower the melting point. For the range of 300 to 600 atm, it was found that filterability improved with increased temperature and decreased with a pressure gain. Larger throughputs caused relatively moderate decreases in filterability. The use of iron catalysts decreased filterability while changing gas and pasting-oil content had little effect. The optimum conditions established a pasting-oil equilibrium with the best filterability. Greater degrees of hydrogenation or splitting produced more recycle middle oils but decreased filterability, thus only the necessary paste oil was produced. By selecting proper conditions, an ashfree bituminous binder could be produced, as used in the production of the Soederberg electrode. 2 tables, 2 graphs

  16. Mechanistic Investigation into the Decarboxylation of Aromatic Carboxylic Acids

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-08-22

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

  17. Fine particle clay catalysts for coal liquefaction. Quarterly technical progress report, November 9, 1992--February 8, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Olson, E.S.

    1995-10-01

    The mixed iron/alumina pillared clay catalysts and clay-supported iron catalysts have been shown in previous reports of this project to significantly improve yields of heptane-soluble products obtained in the liquefaction of both as received and acid-exchanged Wyodak subbituminous coal and Blind Canyon bituminous coal. In this quarter, the soluble product (LSW) obtained from the noncatalytic low-severity liquefaction of Wyodak coal was used as a feed to determine the activity of iron based catalysts for the hydrogenation and depolymerization steps. Comparison data for liquefaction of the soluble LSW with other catalysts were desired, and these data were obtained for a dispersed form of iron sulfide, prepared via iron hydroxyoxide (PETC method). The iron oxyhydroxide catalyst was directly precipitated on LSW product using either water or ethanol as the solvent. An insight into the functioning of the mixed iron/alumina pillared clay in coal liquefaction was investigated by preparing and studying an iron oxoaluminate structure. An investigation of new methods for the production of tetralin soluble iron oxometallate catalysts and the determination of their catalytic activities was continued in this quarter. The hydrogenation activity of iron oxoaluminate was investigated using pyrene and 1-methylnaphthalene as the test compounds, and results were compared with thermal reactions. In order to determine the loss of activity, recovered catalyst was recycled a second time for the hydrotreating of pyrene. Reaction of 1-methylnaphthalene with iron oxoaluminate also gave very high conversion to 1- and 5-methyltetralins and small amount of 2- and 6-methyltetralins. Liquefaction of Wyodak subbituminous and Blind Canyon bituminous coal was investigated using an in situ sulfided soluble iron oxoaluminate catalyst.

  18. Complex discriminative stimulus properties of (+)lysergic acid diethylamide (LSD) in C57Bl/6J mice.

    Science.gov (United States)

    Benneyworth, Michael A; Smith, Randy L; Barrett, Robert J; Sanders-Bush, Elaine

    2005-06-01

    The drug discrimination procedure is the most frequently used in vivo model of hallucinogen activity. Historically, most drug discrimination studies have been conducted in the rat. With the development of genetically modified mice, a powerful new tool has become available for investigating the mechanisms of drug-induced behavior. The current paper is part of an ongoing effort to determine the utility of the drug discrimination technique for evaluating hallucinogenic drugs in mice. To establish the training procedures and characterize the stimulus properties of (+)lysergic acid diethylamide (LSD) in mice. Using a two-lever drug discrimination procedure, C57Bl/6J mice were trained to discriminate 0.45 mg/kg LSD vs saline on a VI30 sec schedule of reinforcement, with vanilla-flavored Ensure serving as the reinforcer. As in rats, acquisition was orderly, but the training dose was nearly five-fold higher for mice than rats. LSD lever selection was dose-dependent. Time-course studies revealed a rapid loss of the LSD stimulus effects. The 5-HT(2A/2C) receptor agonist, 2,5-dimethoxy-4-bromoamphetamine [(-)DOB] (1.0 mg/kg), substituted fully for LSD and the 5-HT(1A) receptor agonist, 8-hydroxy-2-(di-n-propylamino)-tetralin (8-OH-DPAT) (1.6 mg/kg), substituted partially for LSD. Pretreatment with the 5-HT(2A) receptor-selective antagonist, MDL 100907, or the 5-HT(1A)-selective antagonist WAY 100635, showed that each antagonist only partially blocked LSD discrimination. Substitution of 1.0 mg/kg (-)DOB for LSD was fully blocked by pretreatment with MDL 100907 but unaltered by WAY 100635 pretreatment. These data suggest that in mice the stimulus effects of LSD have both a 5-HT(2A) receptor and a 5-HT(1A) receptor component.

  19. Neuropharmacological reassessment of the discriminative stimulus properties of d-lysergic acid diethylamide (LSD).

    Science.gov (United States)

    Cunningham, K A; Appel, J B

    1987-01-01

    The neuropharmacological mechanisms underlying the behavioral effects of d-lysergic acid diethylamide (LSD) were assessed by comparing the discriminative stimulus properties of LSD with those of agonists and antagonists that act selectively at putative serotonin (5-hydroxytryptamine; 5-HT) receptor subtypes (5-HT1 and 5-HT2). Male Sprague-Dawley rats (N = 23) were trained to discriminate LSD (0.08 mg/kg) from saline and given substitution tests with the following agents: 8-hydroxy-2(di-n-propyl-amino) tetralin (8-OHDPAT; 0.02-0.64 mg/kg), Ru 24969 (0.2-3.2 mg/kg), m-chlorophenylpiperazine (MCPP; 0.1-1.6 mg/kg), 1-(m-trifluoromethylphenyl)piperazine (TFMPP; 0.1-1.6 mg/kg), and quipazine (0.2-3.2 mg/kg). Only quipazine mimicked LSD. In combination tests, BC 105 (0.2-3.2 mg/kg), 2-bromolysergic acid diethylamide (BOL; 0.1-1.6 mg/kg), Ly 53857 (0.4-3.2 mg/kg), metergoline (0.05-0.8 mg/kg), ketanserin (0.2-3.2 mg/kg), and pipenperone (0.0025-0.08 mg/kg), all of which act as 5-HT2 antagonists, blocked the LSD cue; only spiperone (0.02-0.32 mg/kg) was without effect. Although commonalities may exist among "5-HT agonists", the present results demonstrate that such "agonists" are not identical. Since putative 5-HT1 agonists do not mimic LSD and the LSD cue is potently blocked by 5-HT2 antagonists, it appears that 5-HT2 neuronal systems are of greater importance than 5-HT1 systems in mediating the discriminative stimulus and, perhaps, other effects of LSD.

  20. Thermodynamic model for calorimetric and phase coexistence properties of coal derived fluids. Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Kabadi, V.N.

    1992-10-01

    The work on this project was initiated on September 1, 1989. The project consisted of three different tasks. 1. A thermodynamic model to predict VLE and calorimetric properties of coal liquids. 2. VLE measurements at high temperature and high pressure for coal model compounds and 3. Chromatographic characterization of coal liquids for distribution of heteroatoms. The thermodynamic model developed is an extension of the previous model developed for VLE of coal derived fluids (DOE Grant no. FG22-86PC90541). The model uses the modified UNIFAC correlation for the liquid phase. Some unavailable UNIFAC interactions parameters have been regressed from experimental VLE and excess enthalpy data. The model is successful in predicting binary VLE and excess enthalpy data. Further refinements of the model are suggested. An apparatus for the high pressure high temperature VLE data measurements has been built and tested. Tetralin-Quinoline is the first binary system selected for data measurements. The equipment was tested by measuring 325{degree}C isotherm for this system and comparing it with literature data. Additional isotherms at 350{degree}C and 370{degree}C have been measured. The framework for a characterization procedure for coal derived liquids has been developed. A coal liquid is defined by a true molecular weight distribution and distribution of heteroatoms as a function of molecular weights. Size exclusions liquid chromatography, elemental analysis and FTIR spectroscopy methods are used to obtain the molecular weight and hetroatom distributions. Further work in this area should include refinements of the characterization procedure, high temperature high pressure VLE data measurements for selective model compound binary systems, and improvement of the thermodynamic model using the new measured data and consistent with the developments in the characterization procedure.

  1. Serotonin modulates glutamatergic transmission in the rat olfactory tubercle.

    Science.gov (United States)

    Hadley, J K; Halliwell, J V

    2010-02-01

    The olfactory tubercle (OT) is found in the brains of mammals that are highly dependent on their sense of smell. Its human analogue is the poorly understood anterior perforated substance. Previous work on rat brain slices identified two types of field potential responses from the OT. The association fibre (AF) pathway was sensitive to muscarinic modulation, whereas the lateral olfactory tract (LOT) fibre pathway was not. Here, we establish that serotonin (5-hydroxytryptamine; 5-HT) also inhibits field potential excitatory postsynaptic potentials (EPSPs) in the AF, but not in the LOT fibre, pathway. Parallel experiments with adenosine (ADO) excluded ADO mediation of the 5-HT effect. Exogenous 5-HT at 30 microm caused a long-lasting approximately 40% reduction in the amplitude of AF postsynaptic responses, without affecting the time-course of EPSP decline, indicating a fairly restricted disposition of the 5-HT receptors responsible. The 5-HT(1)-preferring, 5-HT(5)-preferring and 5-HT(7)-preferring agonist 5-carboxamidotryptamine caused similar inhibition at approximately 100 nm. The 5-HT(1A)-preferring ligand 8-hydroxy-di-n-propylamino-tetralin at 10 microm, and the 5-HT uptake inhibitor citalopram at 3 microm, caused inhibition of AF-stimulated field potential responses in the 5-10% range. Order-of-potency information suggested a receptor of the 5-HT(1B) or 5-HT(1D) subtype. The 5-HT(1D) agonist L-694,247 (1 microm) suppressed the AF response by approximately 10% when used on its own. After washing out of L-694,427, inhibition by 30 microm 5-HT was reduced to negligible levels. Allowing for a partial agonist action of L-694,427 and complex interactions of 5-HT receptors within the OT, these results support the presence of active 5-HT(1D)-type receptors in the principal cell layer of the OT.

  2. 5-HT1A receptor expression during memory formation.

    Science.gov (United States)

    Luna-Munguía, H; Manuel-Apolinar, L; Rocha, L; Meneses, A

    2005-09-01

    It has been reported that 5-HT(1A) receptors modulate learning and memory and diverse pharmacological and genetic evidence supports this notion. Nevertheless, there are few works about expression of these receptors during memory formation. We aimed to determine 5-HT(1A) receptor expression in brain areas of untrained, passive, and autoshaping trained groups of rats. Ex vivo receptor autoradiography using the ligand agonist [(3)H]8-hydroxy-2-[di-n-propylamino]tetralin] (8-OH-DPAT) was used. The trained group relative to untrained animals showed increases of 5-HT(1A) receptor expression in 14 brain areas, decrements in 7, and no changes in 12. Thus, in contrast to untrained rats, 5-HT(1A) receptor expression of autoshaping trained rats was augmented in the tubercule olfactory, septal nucleus, nucleus accumbens, caudate putamen, globus pallidus, striate, and parietal (1 and 2), temporal cortex (1 and 3), granular retrosplenial cortex (1), amygdala, and median and dorsal raphe nuclei. In contrast, in the latter group, receptors were decreased in the CA1 area, hypothalamus dorsal, frontal cortex (1 and 3), occipital cortex, cingulate cortex (1 and 2), and cuneiform nucleus. There were significant differences between passive vs trained groups, but not regarding untrained rats, in the lateral olfactory tract, dentate gyrus, CA3 area, ventromedial hypothalamic, lateral hypothalamus, preoptic medial, frontal cortex (2), granular retrosplenial cortex (2), entorhinal cortex (1 and 2), piriform cortex, and substantia nigra. These data suggest that upregulated, downregulated, and "silence" of 5-HT(1A) receptors in brain areas form part of neural circuits engaged in memory formation by demonstrating a high degree of specificity and memory mapping.

  3. Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives.

    Science.gov (United States)

    Colabufo, Nicola Antonio; Berardi, Francesco; Cantore, Mariangela; Perrone, Maria Grazia; Contino, Marialessandra; Inglese, Carmela; Niso, Mauro; Perrone, Roberto; Azzariti, Amalia; Simone, Grazia Maria; Porcelli, Letizia; Paradiso, Angelo

    2008-01-01

    The development of small molecules as P-gp modulating agents and SAR studies on these ligands represented the aim of the present work. A series of 6,7-dimethoxytetrahydroisoquinoline derivatives was prepared and their ability to inhibit P-gp activity has been evaluated. The basic nucleus of these compounds, common to the best P-gp inhibitors such as Tariquidar and Elacridar, has been functionalized with no-basic moiety from our studied sigma receptor ligands displaying potent P-gp inhibition. The best results were obtained for compounds 3c and 3a (EC(50)=1.64 and 4.86 microM, respectively) and these results were remarkable because Elacridar showed in the same biological evaluation similar inhibitory activity (EC(50)=2 microM). SAR studies displayed that the removal of double bond on the spacer or its shifting into tetraline ring decreased the P-gp inhibiting activity. Moreover, the P-gp inhibition mechanism of tested compounds was investigated by three selected biological experiments. The results displayed that only compound 3c was P-gp inhibitor as Elacridar, while compound 3a and reference compounds Cyclosporin A and Verapamil modulated P-gp activity saturating the efflux pump as substrates. Flow cytometry studies carried out in Doxorubicin resistant breast cancer cell line (MCF7/Adr) confirmed that compound 3c increased Doxorubicin cell accumulation 5.7-fold. In addition, in MCF7/Adr, antiproliferative effect of 5 microM Doxorubicin shifted from 5% to 95% when co-administered with compound 3c (20 microM). The present study suggested a new class of small molecules displaying P-gp inhibitor activity differing from reference compounds Elacridar and Tariquidar for a simplified, and in the meantime, efficacious no-basic moiety.

  4. Kinetic modeling of the thermal evolution of crude oils in sedimentary basins; Modelisation cinetique de l'evolution thermique des petroles dans les gisements

    Energy Technology Data Exchange (ETDEWEB)

    Bounaceur, R.

    2001-01-15

    The aim of this work is to obtain a better understanding of the reactions involved in the thermal cracking of crude oil in sedimentary basins, and to study its kinetics as a function of temperature and pressure. We study the kinetics of pyrolysis of alkanes at low temperature, high pressure and high conversion and we propose three methods of reduction of the corresponding mechanisms. Several compounds having an inhibiting or accelerating effect on the rate of decomposition of alkanes were also studied. This research led to the construction of a general kinetic model of 5200 elementary steps representing the pyrolysis of a complex mixture of 52 molecules belonging to various chemical families: 30 linear alkanes (from CH{sub 4} to C{sub 30}H{sub 62}), 10 branched-chain alkanes (including pristane and phytane), 2 naphthenes (propyl-cyclo-pentane and propyl-cyclohexane), tetralin, 1-methyl-indan, 4 aromatics (benzene, toluene, butyl-benzene and decyl-benzene), 3 hetero-atomic compounds (a disulfide, a mercaptan and H{sub 2}S). This model is compared to experimental data coming from the pyrolysis of two oils: one from the North Sea and the other from Pematang. The results obtained show a good agreement between the experimental and simulated values. Then, we simulated the cracking of these two oils by using the following burial scenario: initial temperature of 160 degrees, 50 m per million years (ma) in a constant geothermal gradient of 30 degrees C/km, implying a heating rate of 1.5 degrees C/ma. Under these conditions, our model shows that these two oils start to crack only towards 210-220 degrees C and that their time of half-life corresponds to a temperature around 230-240 degrees C. The model also makes it possible to simulate the evolution of geochemical parameters such as the GOR, the API degree... (author)

  5. Co-Liquefaction of Elbistan Lignite with Manure Biomass; Part 3 - Effect of Reaction Time and Temperature

    Science.gov (United States)

    Koyunoglu, Cemil; Karaca, Hüseyin

    2017-12-01

    Most of the liquefaction process were carried out in a batch reactor, in which the residence time of the liquefaction products is long enough to favour the retrogressive reactions. To minimize retrogressive reactions, the liquefaction of coal was carried out in a flowing solvent reactor in which a fixed bed of coal is continuously permeated by hot solvent. Solvent flowing through the coal bed carries the liquefaction products out of the reactor. Unlike experiments carried out under similar conditions in a batch reactor no increase in solid residue is observed during long time high temperature runs in the flowing solvent reactor. There is a greater appreciation of the importance of retrograde, or polymerization, reactions. If the free radicals formed when coal breaks down are not quickly capped with hydrogen, they react with each other to form large molecules that are much harder to break down than the original coal. Reaction time impacts both the co-liquefaction cost and the product yield. So as to study this idea, the experiments of Elbistan Lignite (EL) with manure co-liquefaction carried out by changing the reaction time from 30 to 120 minutes. As a result, the greatest oil products yields obtained at 60 minutes. Therefore, by thinking about the oil products yield values acquired, the optimal reaction time was obtained to be 60 minutes for Elbistan lignite (EL) with manure liquefied with the temperature of 350°C and 400°C. Above 425°C did not examine because solvent (tetraline) loses its function after 425 °C. The obtained optimum temperature found 400°C due to higher total conversion of liquefaction products and also oil+gas yields.

  6. Chronic Contusion Spinal Cord Injury Impairs Ejaculatory Reflexes in Male Rats: Partial Recovery by Systemic Infusions of Dopamine D3 Receptor Agonist 7OHDPAT.

    Science.gov (United States)

    Kozyrev, Natalie; Staudt, Michael D; Brown, Arthur; Coolen, Lique M

    2016-05-15

    Chronic spinal cord injury (SCI) causes major disruption of ejaculatory function in men. Ejaculation is a reflex and the spinal generator for ejaculatory reflexes in the rat has been located in the lumbosacral spinal cord. The effects of SCI on the rat spinal ejaculation generator and ejaculatory reflexes remain understudied. The first goal of the current study was to establish the effects of chronic SCI on the function of the spinal ejaculation generator. Male rats received a contusion injury of the spinal cord at spinal level T6-T7. Ejaculatory reflexes elicited by electrical stimulation of the dorsal penile nerve (DPN) were evaluated in injured and control rats at 4-6 weeks following SCI. SCI males demonstrated significant reductions in bursting of the bulbocavernosus muscle (BCM), an indicator for expulsion phase of ejaculation, and in seminal vesicle pressure (SVP) increases, an indicator for the emission phase of ejaculation, following DPN stimulation. Thus, contusion SCI resulted in long-term impairment of ejaculatory reflexes. The D3 agonist 7-hydroxy-2-(di-N-propylamino) tetralin (7OHDPAT) facilitates ejaculation in spinal cord intact rats, thus the second goal of the current study was to test whether subcutaneous infusions of 7OHDPAT can facilitate ejaculatory reflexes in rats with chronic SCI. Male rats received a contusion injury at T6-T7 and effects of systemic administration of 7OHDPAT (1 mg/kg) were tested 4-5 weeks following injury. Results showed that 7OHDPAT administration facilitated ejaculatory reflexes in SCI males with or without DPN stimulation, provided that supraspinal inputs to the lumbar cord were severed by transection just prior to evaluating the reflex. Thus, 7OHDPAT administration in SCI males was able to overcome the detrimental effects of SCI on ejaculatory reflexes.

  7. Characterization of asphaltene molecular structures by cracking under hydrogenation conditions and prediction of the viscosity reduction from visbreaking of heavy oils

    Science.gov (United States)

    Rueda Velasquez, Rosa Imelda

    The chemical building blocks that comprise petroleum asphaltenes were determined by cracking samples under conditions that minimized alterations to aromatic and cycloalkyl groups. Hydrogenation conditions that used tetralin as hydrogen-donor solvent, with an iron-based catalyst, allowed asphaltenes from different geological regions to yield 50-60 wt% of distillates (catalytic activity, and preservation of the cycloalkyl structures. Quantitative recovery of cracking products and characterization of the distillates, by gas chromatography-field ionization--time of flight high resolution mass spectrometry, displayed remarkable similarity in molecular composition for the different asphaltenes. Paraffins and 1-3 ring aromatics were the most abundant building blocks. The diversity of molecules identified, and the high yield of paraffins were consistent with high heterogeneity and complexity of molecules, built up by smaller fragments attached to each other by bridges. The sum of material remaining as vacuum residue and coke was in the range of 35-45 wt%; this total represents the maximum amount of large clusters in asphaltenes that could not be converted to lighter compounds under the evaluated cracking conditions. These analytical data for Cold Lake asphaltenes were transformed into probability density functions that described the molecular weight distributions of the building blocks. These distributions were input for a Monte Carlo approach that allowed stochastic construction of asphaltenes and simulation of their cracking reactions to examine differences in the distributions of products associated to the molecular topology. The construction algorithm evidenced that a significant amount of asphaltenes would consist of 3-5 building blocks. The results did not show significant differences between linear and dendritic molecular architectures, but suggested that dendritic molecules would experience slower reaction rates as they required more breakages to reach a given

  8. (3H)WB4101 labels the 5-HT1A serotonin receptor subtype in rat brain. Guanine nucleotide and divalent cation sensitivity

    Energy Technology Data Exchange (ETDEWEB)

    Norman, A.B.; Battaglia, G.; Creese, I.

    1985-12-01

    In the presence of a 30 nM prazosin mask, (/sup 3/H)-2-(2,6-dimethoxyphenoxyethyl) aminomethyl-1,4-benzodioxane ((/sup 3/H)WB4101) can selectively label 5-HT1 serotonin receptors. Serotonin exhibits high affinity (Ki = 2.5 nM) and monophasic competition for (/sup 3/H) WB4101 binding in cerebral cortex. We have found a significant correlation (r = 0.96) between the affinities of a number of serotonergic and nonserotonergic compounds at (/sup 3/H)WB4101-binding sites in the presence of 30 nM prazosin and (/sup 3/H) lysergic acid diethylamide ((/sup 3/H)LSD)-labeled 5-HT1 serotonin receptors in homogenates of rat cerebral cortex. Despite similar pharmacological profiles, distribution studies indicate that, in the presence of 5 mM MgSO4, the Bmax of (/sup 3/H)WB4101 is significantly lower than the Bmax of (/sup 3/H)LSD in various brain regions. WB4101 competition for (/sup 3/H) LSD-labeled 5-HT1 receptors fits best to a computer-derived model assuming two binding sites, with the KH for WB4101 being similar to the KD of (/sup 3/H)WB4101 binding derived from saturation experiments. This suggests that (/sup 3/H)WB4101 labels only one of the subtypes of the 5-HT1 serotonin receptors labeled by (/sup 3/H)LSD. The selective 5-HT1A serotonin receptor antagonist, spiperone, and the selective 5-HT1A agonist, 8-hydroxy-2-(di-n-propylamino) tetraline, exhibit high affinity and monophasic competition for (/sup 3/H)WB4101 but compete for multiple (/sup 3/H)LSD 5-HT1 binding sites. These data indicate that (/sup 3/H)WB4101 selectively labels the 5-HT1A serotonin receptor, whereas (/sup 3/H) LSD appears to label both the 5-HT1A and the 5-HT1B serotonin receptor subtypes. The divalent cations, Mn2+, Mg2+, and Ca2+ were found to markedly increase the affinity and Bmax of (/sup 3/H)WB4101 binding in cerebral cortex. Conversely, the guanine nucleotides guanylylimidodiphosphate and GTP, but not the adenosine nucleotide ATP, markedly reduce the Bmax of (/sup 3/H)WB4101 binding.

  9. Enhanced discriminative stimulus effects of Δ(9)-THC in the presence of cannabidiol and 8-OH-DPAT in rhesus monkeys.

    Science.gov (United States)

    McMahon, Lance R

    2016-08-01

    Cannabidiol, a therapeutic with potential serotonin (5-hydroxytryptamine; 5-HT) 5-HT1A receptor agonist activity, is the second most prevalent cannabinoid in Cannabis after Δ(9)-THC. The extent to which cannabidiol modifies the effects of Δ(9)-THC has not been firmly established, especially with respect to abuse-related effects in rhesus monkeys where previously antagonistic interactions have been reported for some behavioral outcomes. Cannabidiol and the 5-HT1A receptor agonist (±)-8-hydroxy-2-(dipropylamino)tetralin hydrobromide (8-OH-DPAT) were tested in two separate discrimination assays in rhesus monkeys. One group (n=6) discriminated Δ(9)-tetrahydrocannabinol (Δ(9)-THC; 0.1mg/kg i.v.); a second group (n=6) discriminated the cannabinoid antagonist rimonabant (1mg/kg i.v.) while receiving Δ(9)-THC daily (1mg/kg/12hs.c.). Responding was maintained under a fixed ratio 5 schedule of stimulus-shock termination. Both training drugs dose-dependently increased the percentage of responses on the respective drug-associated levers. Cannabidiol (up to 17.8mg/kg) and 8-OH-DPAT (up to 0.178mg/kg) did not substitute for either training drug; however, both significantly increased the potency of Δ(9)-THC to produce discriminative stimulus effects. Moreover, 8-OH-DPAT significantly attenuated the discriminative stimulus effects of rimonabant, whereas cannabidiol did not modify the rimonabant discriminative stimulus. These results, which are consistent with cannabidiol lacking CB1 receptor agonist or antagonist activity in vivo, demonstrate enhancement of the effects of Δ(9)-THC by cannabidiol, albeit at cannabidiol amounts larger than those in Cannabis or cannabidiol-based therapeutics (nabiximols). In addition to showing that cannabidiol and a 5-HT1A receptor agonist have overlapping behavioral effects, the current results suggest that 5-HT1A agonism enhances the CB1 receptor-mediated effects of Δ(9)-THC. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  10. Recent Progress in the Development of Diesel Surrogate Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Mueller, C J

    2009-12-09

    There has been much recent progress in the area of surrogate fuels for diesel. In the last few years, experiments and modeling have been performed on higher molecular weight components of relevance to diesel fuel such as n-hexadecane (n-cetane) and 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). Chemical kinetic models have been developed for all the n-alkanes up to 16 carbon atoms. Also, there has been much experimental and modeling work on lower molecular weight surrogate components such as n-decane and n-dodecane that are most relevant to jet fuel surrogates, but are also relevant to diesel surrogates where simulation of the full boiling point range is desired. For two-ring compounds, experimental work on decalin and tetralin recently has been published. For multi-component surrogate fuel mixtures, recent work on modeling of these mixtures and comparisons to real diesel fuel is reviewed. Detailed chemical kinetic models for surrogate fuels are very large in size. Significant progress also has been made in improving the mechanism reduction tools that are needed to make these large models practicable in multi-dimensional reacting flow simulations of diesel combustion. Nevertheless, major research gaps remain. In the case of iso-alkanes, there are experiments and modeling work on only one of relevance to diesel: iso-cetane. Also, the iso-alkanes in diesel are lightly branched and no detailed chemical kinetic models or experimental investigations are available for such compounds. More components are needed to fill out the iso-alkane boiling point range. For the aromatic class of compounds, there has been no new work for compounds in the boiling point range of diesel. Most of the new work has been on alkyl aromatics that are of the range C7 to C8, below the C10 to C20 range that is needed. For the chemical class of cycloalkanes, experiments and modeling on higher molecular weight components are warranted. Finally for multi-component surrogates needed to treat real

  11. Recent Progress in the Development of Diesel Surrogate Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J

    2009-09-04

    There has been much recent progress in the area of surrogate fuels for diesel. In the last few years, experiments and modeling have been performed on higher molecular weight components of relevance to diesel fuel such as n-hexadecane (n-cetane) and 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). Chemical kinetic models have been developed for all the n-alkanes up to 16 carbon atoms. Also, there has been much experimental and modeling work on lower molecular weight surrogate components such as n-decane and do-decane which are most relevant to jet fuel surrogates, but are also relevant to diesel surrogates where simulation of the full boiling point range is desired. For the cycloalkanes, experimental work on decalin and tetralin recently has been published. For multi-component surrogate fuel mixtures, recent work on modeling of these mixtures and comparisons to real diesel fuel is reviewed. Detailed chemical kinetic models for surrogate fuels are very large in size. Significant progress also has been made in improving the mechanism reduction tools that are needed to make these large models practicable in multidimensional reacting flow simulations of diesel combustion. Nevertheless, major research gaps remain. In the case of iso-alkanes, there are experiments and modeling work on only one of relevance to diesel: iso-cetane. Also, the iso-alkanes in diesel are lightly branched and no detailed chemical kinetic models or experimental investigations are available for such compounds. More components are needed to fill out the iso-alkane boiling point range. For the aromatic class of compounds, there has been no new work for compounds in the boiling point range of diesel. Most of the new work has been on alkyl aromatics that are of the range C7 to C8, below the C10 to C20 range that is needed. For the chemical class of cycloalkanes, experiments and modeling on higher molecular weight components are warranted. Finally for multi-component surrogates needed to treat real diesel

  12. Polycyclic musk fragrances in the aquatic environment.

    Science.gov (United States)

    Rimkus, G G

    1999-12-20

    The polycyclic musk fragrances, mainly 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-ben zopyrane (HHCB) and 7-acetyl-1,1,3,4,4,6-hexamethyltetrahydronaphthalene (AHTN) are synthetic musk fragrances which are used in almost all scented consumer products, such as perfumes, cosmetics and laundry detergents. Concerning their chemical structures the polycyclic musks are indane and tetraline derivatives highly substituted mainly by methyl groups. Their production has been increased continuously during the last years with a world-wide production volume today of about 6000 t/year. After their application in private households they are dumped via the sewage treatment plants into the aquatic environment. In this review the analysis of polycyclic musk compounds in environmental samples is shortly presented and all published data of polycyclic musk compounds in water, sediment, suspended particulate matter (SPM), sewage sludge, and biota are summarized and discussed. The highest HHCB and AHTN concentrations were analysed in water (maximum concentrations: 6 microg HHCB/l, 4.4 microg AHTN/1) and sludge (maximum concentrations: 63 mg HHCB/kg dry matter, 34 mg AHTN/kg dry matter) from sewage plants, and in fish (maximum concentrations: 159 mg HHCB/kg lipid, 58 mg AHTN/kg lipid) from sewage ponds. In all other samples from different aquatic ecosystems these chemicals were unequivocally detected in varying concentrations dependent on the distance to sewage treatment plants. Even in marine water samples from the German Bight HHCB and AHTN could be quantified at the lower ng/l level. Very often HHCB and AHTN formed the major organic contaminants, in all samples their concentrations exceeded those of musk xylene and musk ketone. Also several by-products and impurities of the commercial polycyclic musks were analysed in river and waste water samples in not negligible amounts. The apparently ubiquitous distribution of polycyclic musks in the aquatic environment

  13. 5-HT1A Receptor Activation Improves Anti-Cataleptic Effects of Levodopa in 6-Hydroxydopamine-Lesioned Rats

    Directory of Open Access Journals (Sweden)

    S. Reyhani-Rad

    2011-12-01

    Full Text Available Background and the purpose of the study: In Parkinsons disease (PD prolong use of L-DOPA causes some motor disorders such as wearing-off and L-DOPA induced dyskinesia (LID. In this investigation the effect of 8-OHDAPT, as a 5-HT1A agonist on anti-cataleptic effect of L-DOPA in 6-hydroxydopamine (6-OHDA lesioned male Wistar rats was investigated. Methods: Catalepsy was induced by unilateral injection of 6-OHDA (8 μg/2μl/rat into the central region of the SNc. After 3 weeks as a recovery period, animals received intraperitoneally (i.p. L-DOPA (15 mg/kg twice daily for 20 days, and anti-cataleptic effect of L-DOPA was assessed by bar-test at days of 5, 10, 15 and 20. Results and major conclusion: The results showed that L-DOPA had anti-cataleptic effect only until the day of 15, and its effect was decreased on the day of 20. On the day of 21, rats were co-injected with three different doses of 8-OHDAPT (0.1, 0.5 and 2.5 mg/kg, i.p. and L-DOPA (15 mg/kg, ip. 8-Hydroxy-2-(di-n-propylamino tetralin (8-OHDAPT improved anti-cataleptic effect of L-DOPA at the dose of 0.5 mg/kg. Moreover the effect of 8-OHDAPT on anti-cataleptic effect of L-DOPA (15 mg/kg, ip was abolished by 1-(2-methyoxyphenyl-4-[4-(2-phthalamido butyl] piperazine hydrobromide (NAN-190; 0.5 mg/kg, i.p. as a 5-HT1A receptor antagonist. According to the obtained results, it may be concluded that activation of 5-HT1A receptors by 8-OHDAPT may improve anti-cataleptic effect of L-DOPA in a 6-OHDA- induced rat model of PD. Further studies are required to clarify the exact mechanism of interaction between 5-HT1A and dopaminergic neurons.

  14. Distinct Contributions of Median Raphe Nucleus to Contextual Fear Conditioning and Fear-Potentiated Startle

    Science.gov (United States)

    Silva, R. C. B.; Cruz, A. P. M.; Avanzi, V.; Landeira-Fernandez, J.; Brandão, M. L.

    2002-01-01

    Ascending 5-HT projections from the median raphe nucleus (MRN), probably to the hippocampus, are implicated in the acquisition of contextual fear (background stimuli), as assessed by freezing behavior. Foreground cues like light, used as a conditioned stimulus (CS) in classical fear conditioning, also cause freezing through thalamic transmission to the amygdala. As the MRN projects to the hippocampus and amygdala, the role of this raphe nucleus in fear conditioning to explicit cues remains to be explained. Here we analyzed the behavior of rats with MRN electrolytic lesions in a contextual conditioning situation and in a fear-potentiated startle procedure. The animals received MRN electrolytic lesions either before or on the day after two consecutive training sessions in which they were submitted to 10 conditioning trials, each in an experimental chamber (same context) where they. received foot-shocks (0.6 mA, 1 sec) paired to a 4-sec light CS. Seven to ten days later, the animals were submitted to testing sessions for assessing conditioned fear when they were placed for five shocks, and the duration of contextual freezing was recorded. The animals were then submitted to a fear-potentiated startle in response to a 4-sec light-CS, followed by white noise (100 dB, 50 ms). Control rats (sham) tested in the same context showed more freezing than did rats with pre- or post-training MRN lesions. Startle was clearly potentiated in the presence of light CS in the sham-lesioned animals. Whereas pretraining lesions reduced both freezing and fear-potentiated startle, the post-training lesions reduced only freezing to context, without changing the fear-potentiated startle. In a second experiment, neurotoxic lesions of the MRN with local injections of N-methyl-D-aspartate or the activation of 5-HT1A somatodendritic auto-receptors of the MRN by microinjections of the 5-HT1A receptor agonist 8-hydroxy- 2-(di-n-propylamino)tetralin (8-OH-DPAT) before the training sessions also

  15. C1 Chemistry for the Production of Ultra-Clean Liquid Transportation Fuels and Hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Gerald P. Huffman

    2006-03-30

    -M (M=Ni, Mo, Pd) catalysts exhibit excellent activity for dehydrogenation of gaseous alkanes, yielding pure hydrogen and carbon nanotubes in one reaction. A fluidized-bed/fixed-bed methane reactor was developed for continuous hydrogen and nanotube production. (6) A process for co-production of hydrogen and methyl formate from methanol has been developed. (7) Pt nanoparticles on stacked-cone carbon nanotubes easily strip hydrogen from liquids such as cyclohexane, methylcyclohexane, tetralin and decalin, leaving rechargeable aromatic phases. (8) Hydrogen volume percentages produced during reforming of methanol in supercritical water in the output stream are {approx}98%, while CO and CO2 percentages are <2 %.

  16. (E)-[{sup 125}I]-5-AOIBV: a SPECT radioligand for the vesicular acetylcholine transporter

    Energy Technology Data Exchange (ETDEWEB)

    Emond, Patrick [INSERM U619, 37000 Tours (France); Universite Francois-Rabelais de Tours, CHRU, Hopital Bretonneau, Service de Medecine nucleaire, 37000 Tours (France); Mavel, Sylvie [INSERM U619, 37000 Tours (France); Universite Francois-Rabelais de Tours, CHRU, Hopital Bretonneau, Service de Medecine nucleaire, 37000 Tours (France)], E-mail: sylvie.mavel@univ-tours.fr; Zea-Ponce, Yolanda [INSERM U619, 37000 Tours (France); Universite Francois-Rabelais de Tours, CHRU, Hopital Bretonneau, Service de Medecine nucleaire, 37000 Tours (France); Kassiou, Michael [Discipline of Medical Radiation Sciences, Brain and Mind Research Institute, University of Sydney, NSW 2050 (Australia); School of Chemistry, University of Sydney, NSW 2006 (Australia); Garreau, Lucette; Bodard, Sylvie; Drossard, Marie-Laure; Chalon, Sylvie; Guilloteau, Denis [INSERM U619, 37000 Tours (France); Universite Francois-Rabelais de Tours, CHRU, Hopital Bretonneau, Service de Medecine nucleaire, 37000 Tours (France)

    2007-11-15

    The premise that, over the course of Alzheimer's disease (AD), changes in the levels of the vesicular acetylcholine transporter (VAChT) occur in parallel with changes to other cholinergic marker proteins provides the basis for the applicability of benzovesamicol derivatives as radioligands for AD studies by single photon emission computed tomography or positron emission tomography. We report the synthesis of enantiopure benzovesamicol derivatives: (R,R) or (S,S)-(E)-2-hydroxy-5-(3-iodoprop-2-en-1-oxy)-3- (4-phenylpiperidino)tetralin [(R,R)-AOIBV: K{sub d}=0.45 nM or (S,S)-5-AOIBV: K{sub d}=4.3 nM] and their corresponding tributyltin precursors for radioiodination. (R,R or S,S)-5-AOIBV was labeled with iodine-125 from their corresponding n-tributyltin precursors. Both compounds were obtained with radiochemical and optical purity greater than 97% and in radiochemical yields ranging 34-36%. To determine if these compounds could provide an advantage when compared to [{sup 125}I]-iodo benzovesamicol (IBVM), IBVM was also labeled and used as the reference compound in all ex vivo experiments. Ex vivo biodistribution experiments in rats revealed that [{sup 125}I]-(R,R)-5-AOIBV displayed the most suitable pharmacological profile as the radioactivity distribution corresponded well with the known VAChT brain density. Moreover, pre-injection of vesamicol prevented the uptake of [{sup 125}I]-(R,R)-5-AOIBV in striatum, cortex and hippocampus, demonstrating selectivity for the VAChT. However, even if time activity curves of [{sup 125}I]-(R,R)-5-AOIBV confirmed that this compound could be used to visualize the VAChT in vivo, at each point of the kinetic study, [{sup 125}I]-(R,R)-5-AOIBV showed a lower specific binding compared to [{sup 125}I]-IBVM. These results made [{sup 125}I]-( R,R)-5-AOIBV inferior to [{sup 125}I]-IBVM for the VAChT exploration in vivo.

  17. The effect of 5-HT1A receptor agonists on locomotor activity in the guinea-pig.

    Science.gov (United States)

    Evenden, J L

    1994-07-01

    1. The present study examined the effects of 8-hydroxy-2-(di-n-propylamino) tetralin (8-OH-DPAT), flesinoxan, ipsapirone and buspirone, all agonists at the 5-HT1A receptor, on the locomotor activity of guinea-pigs. The effects of these drugs were contrasted with those of the non-selective 5-HT agonist, 5-methoxy-N,N-dimethyl tryptamine (5-MeO-DMT) and the dopamine D2 antagonist, raclopride. 2. 8-OH-DPAT, flesinoxan and 5-MeO-DMT markedly increased the locomotor activity of naive, unhabituated guinea-pigs in a dose-dependent manner. Buspirone also did so, although to a lesser extent and for a shorter time. The doses at which this effect was seen were higher than those normally employed in rats. Ipsapirone and raclopride had no significant effects on locomotor activity. 3. The locomotor activity increasing effect of 1.0 mg kg-1 8-OH-DPAT was blocked by the selective 5-HT1A antagonist (S)-UH-301 (3.0 and 10.0 mg kg-1), but not by (-)-alprenolol (15.0 mg kg-1). Ipsapirone (30.0 mg kg-1) and raclopride (3.0 mg kg-1) antagonized 8-OH-DPAT-induced locomotor activity but only to a small extent. The 5-HT reuptake inhibitor, zimelidine (10.0 mg kg-1) had no effect. 4. The effect of the 5-HT1A agonists in the guinea-pig contrasts with the effects of 8-OH-DPAT on the locomotor activity of unhabituated rats and mice tested in the same apparatus, but are similar to the effects of 8-OH-DPAT on habituated rats, which show a low baseline of activity. 5. These results support the suggestion that 5-HTIA agonists may have an intrinsic activating effect which may be masked by other effects of the drug (e.g. hypothermia, 5-HT syndrome). The rank ordering of the 5-HTIA agonists also suggests that the degree to which the drugs increase locomotor activity is related to their agonist efficacy at the postsynaptic 5-HTIA receptor.

  18. The antidepressant effects of curcumin in the forced swimming test involve 5-HT1 and 5-HT2 receptors.

    Science.gov (United States)

    Wang, Rui; Xu, Ying; Wu, Hong-Li; Li, Ying-Bo; Li, Yu-Hua; Guo, Jia-Bin; Li, Xue-Jun

    2008-01-06

    Curcuma longa is a main constituent of many traditional Chinese medicines, such as Xiaoyao-san, used to manage mental disorders effectively. Curcumin is a major active component of C. longa and its antidepressant-like effect has been previously demonstrated in the forced swimming test. The purpose of this study was to explore the possible contribution of serotonin (5-HT) receptors in the behavioral effects induced by curcumin in this animal model of depression. 5-HT was depleted by the tryptophan hydroxylase inhibitor p-chlorophenylalanine (PCPA, 100 mg/kg, i.p.) prior to the administration of curcumin, and the consequent results showed that PCPA blocked the anti-immobility effect of curcumin in forced swimming test, suggesting the involvement of the serotonergic system. Moreover, pre-treatment of pindolol (10 mg/kg, i.p., a beta-adrenoceptors blocker/5-HT(1A/1B) receptor antagonist), 4-(2'-methoxy-phenyl)-1-[2'-(n-2''-pyridinyl)-p-iodobenzamino-]ethyl-piperazine (p-MPPI, 1 mg/kg, s.c., a selective 5-HT(1A) receptor antagonist), or 1-(2-(1-pyrrolyl)-phenoxy)-3-isopropylamino-2-propanol (isamoltane, 2.5 mg/kg, i.p., a 5-HT(1B) receptor antagonist) was found to prevent the effect of curcumin (10 mg/kg) in forced swimming test. On the other hand, a sub-effective dose of curcumin (2.5 mg/kg, p.o.) produced a synergistic effect when given jointly with (+)-8-hydroxy-2-(di-n-propylamino)tetralin, (8-OH-DPAT, 1 mg/kg, i.p., a 5-HT(1A) receptor agonist), anpirtoline (0.25 mg/kg, i.p., a 5-HT(1B) receptor agonist) or ritanserin (4 mg/kg, i.p., a 5-HT(2A/2C) receptor antagonist), but not with ketanserin (5 mg/kg, i.p., a 5-HT(2A/2C) receptor antagonist with higher affinity to 5-HT(2A) receptor) or R(-)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (DOI, 1 mg/kg, i.p., a 5-HT(2A) receptor agonist). Taken together, these results indicate that the antidepressant-like effect of curcumin in the forced swimming test is related to serotonergic system and may be mediated by, at least

  19. Activation of 5-HT1Areceptors in the rat dorsomedial hypothalamus inhibits stress-induced activation of the hypothalamic-pituitary-adrenal axis.

    Science.gov (United States)

    Stamper, Christopher E; Hassell, James E; Kapitz, Adam J; Renner, Kenneth J; Orchinik, Miles; Lowry, Christopher A

    2017-03-01

    Acute activation of the hypothalamic-pituitary-adrenal (HPA) axis, leading to the release of corticosteroid hormones into the circulation, is an adaptive response to perceived threats. Persistent activation of the HPA axis can lead to impaired physiological or behavioral function with maladaptive consequences. Thus, efficient control and termination of stress responses is essential for well-being. However, inhibitory control mechanisms governing the HPA axis are poorly understood. Previous studies suggest that serotonergic systems, acting within the medial hypothalamus, play an important role in inhibitory control of stress-induced HPA axis activity. To test this hypothesis, we surgically implanted chronic jugular cannulae in adult male rats and conducted bilateral microinjection of vehicle or the 5-HT 1A receptor agonist, 8-hydroxy-2-(di-n-propylamino) tetralin hydrobromide (8-OH-DPAT; 8 nmol, 0.2 μL, 0.1 μL/min, per side) into the dorsomedial hypothalamus (DMH) immediately prior to a 40 min period of restraint stress. Repeated blood sampling was conducted using an automated blood sampling system and plasma corticosterone concentrations were determined using enzyme-linked immunosorbent assay. Bilateral intra-DMH microinjections of 8-OH-DPAT suppressed stress-induced increases in plasma corticosterone within 10 min of the onset of handling prior to restraint and, as measured by area-under-the-curve analysis of plasma corticosterone concentrations, during the 40 min period of restraint. These data support an inhibitory role for serotonergic systems, acting within the DMH, on stress-induced activation of the HPA axis. Lay summary: Inhibitory control of the hypothalamic-pituitary-adrenal (HPA) stress hormone response is important for well-being. One neurochemical implicated in inhibitory control of the HPA axis is serotonin. In this study we show that activation of serotonin receptors, specifically inhibitory 5-HT 1A receptors in the dorsomedial

  20. Refinery Integration of By-Products from Coal-Derived Jet Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Caroline Clifford; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2008-03-31

    commercial fuels ({approx}60 ON for coal-based gasoline and {approx}20 CN for coal-based diesel fuel). Therefore, the allowable range of blending levels was studied where the blend would achieve acceptable performance. However, in both cases of the coal-based fuels, their ignition characteristics may make them ideal fuels for advanced combustion strategies where lower ON and CN are desirable. Task 3 was designed to develop new approaches for producing ultra clean fuels and value-added chemicals from refinery streams involving coal as a part of the feedstock. It consisted of the following three parts: (1) desulfurization and denitrogenation which involves both new adsorption approach for selective removal of nitrogen and sulfur and new catalysts for more effective hydrotreating and the combination of adsorption denitrogenation with hydrodesulfurization; (2) saturation of two-ring aromatics that included new design of sulfur resistant noble-metal catalysts for hydrogenation of naphthalene and tetralin in middle distillate fuels, and (3) value-added chemicals from naphthalene and biphenyl, which aimed at developing value-added organic chemicals from refinery streams such as 2,6-dimethylnaphthalene and 4,4{prime}-dimethylbiphenyl as precursors to advanced polymer materials. Major advances were achieved in this project in designing the catalysts and sorbent materials, and in developing fundamental understanding. The objective of Task 4 was to evaluate the effect of introducing coal into an existing petroleum refinery on the fuel oil product, specifically trace element emissions. Activities performed to accomplish this objective included analyzing two petroleum-based commercial heavy fuel oils (i.e., No. 6 fuel oils) as baseline fuels and three co-processed fuel oils, characterizing the atomization performance of a No. 6 fuel oil, measuring the combustion performance and emissions of the five fuels, specifically major, minor, and trace elements when fired in a watertube boiler