WorldWideScience

Sample records for coal derived synthesis

  1. SYNTHESIS OF METHACRYLATES FROM COAL-DERIVED SYNGAS

    Energy Technology Data Exchange (ETDEWEB)

    Jang, B.W.L.; Spivey, J.J.; Gogate, M.R.; Zoeller, J.R.; Colberg, R.D.; Choi, G.N.

    1999-12-01

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel have developed a novel process for synthesis of methyl methacrylate (MMA) from coal-derived syngas, under a contract from the US Department of Energy/Fossil Energy Technology Center (DOE/FETC). This project has resulted in five US patents (four already published and one pending publication). It has served as the basis for the technical and economic assessment of the production of this high-volume intermediate from coal-derived synthesis gas. The three-step process consists of the synthesis of a propionate from ethylene carbonylation using coal-derived CO, condensation of the propionate with formaldehyde to form methacrylic acid (MAA); and esterification of MAA with methanol to yield MMA. The first two steps, propionate synthesis and condensation catalysis, are the key technical challenges and the focus of the research presented here.

  2. Biological upgrading of coal-derived synthesis gas: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Barik, S.; Johnson, E.R.; Ko, C.W.; Clausen, E.C.; Gaddy, J.L.

    1986-10-01

    The technical feasibility of the biological conversion of coal synthesis gas to methane has been demonstrated in the University of Arkansas laboratories. Cultures of microorganisms have been developed which achieve total conversion in the water gas shift and methanation reactions in either mixed or pure cultures. These cultures carry out these conversions at ordinary temperatures and pressures, without sulfur toxicity. Several microorganisms have been identified as having commercial potential for producing methane. These include a mixed culture of unidentified bacteria; P. productus which produces acetate, a methane precursor; and Methanothrix sp., which produces methane from acetate. These cultures have been used in mixed reactors and immobilized cell reactors to achieve total CO and H/sub 2/ conversion in a retention time of less than two hours, quite good for a biological reactor. Preliminary economic projections indicate that a biological methanation plant with a size of 5 x 10/sup 10/ Btu/day can be economically attractive. 42 refs., 26 figs., 86 tabs.

  3. Synthesis of acrylates and methacrylates from coal-derived syngas

    Energy Technology Data Exchange (ETDEWEB)

    Spivey, J.J.; Gogate, M.R.; Jang, B.W.L. [Bechtel, San Francisco, CA (United States)] [and others

    1995-12-31

    Acrylates and methacrylates are among the most widely used chemical intermediates in the world. One of the key chemicals of this type is methyl methacrylate. Of the 4 billion pounds produced each year, roughly 85% is made using the acetone-cyanohydrin process, which requires handling of large quantities of hydrogen cyanide and produces ammonium sulfate wastes that pose an environmental disposal challenge. The U.S. Department of Energy and Eastman Chemical Company are sharing the cost of research to develop an alternative process for the synthesis of methyl methacrylate from syngas. Research Triangle Institute is focusing on the synthesis and testing of active catalysts for the condensation reactions, and Bechtel is analyzing the costs to determine the competitiveness of several process alternatives. Results thus far show that the catalysts for the condensation of formaldehyde and the propionate are key to selectively producing the desired product, methacrylic acid, with a high yield. These condensation catalysts have both acid and base functions and the strength and distribution of these acid-base sites controls the product selectivity and yield.

  4. The economic production of alcohol fuels from coal-derived synthesis gas

    Energy Technology Data Exchange (ETDEWEB)

    Kugler, E.L.; Dadyburjor, D.B.; Yang, R.Y.K. [West Virginia Univ., Morgantown, WV (United States)] [and others

    1995-12-31

    The objectives of this project are to discover, (1) study and evaluate novel heterogeneous catalytic systems for the production of oxygenated fuel enhancers from synthesis gas. Specifically, alternative methods of preparing catalysts are to be investigated, and novel catalysts, including sulfur-tolerant ones, are to be pursued. (Task 1); (2) explore, analytically and on the bench scale, novel reactor and process concepts for use in converting syngas to liquid fuel products. (Task 1); (3) simulate by computer the most energy efficient and economically efficient process for converting coal to energy, with primary focus on converting syngas to fuel alcohols. (Task 2); (4) develop on the bench scale the best holistic combination of chemistry, catalyst, reactor and total process configuration integrated with the overall coal conversion process to achieve economic optimization for the conversion of syngas to liquid products within the framework of achieving the maximum cost effective transformation of coal to energy equivalents. (Tasks 1 and 2); and (5) evaluate the combustion, emission and performance characteristics of fuel alcohols and blends of alcohols with petroleum-based fuels. (Task 2)

  5. Impact of Contaminants Present in Coal-Biomass Derived Synthesis Gas on Water-gas Shift and Fischer-Tropsch Synthesis Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Alptekin, Gokhan [TDA Research, Inc., Wheat Ridge, CO (United States)

    2013-02-15

    Co-gasification of biomass and coal in large-scale, Integrated Gasification Combined Cycle (IGCC) plants increases the efficiency and reduces the environmental impact of making synthesis gas ("syngas") that can be used in Coal-Biomass-to-Liquids (CBTL) processes for producing transportation fuels. However, the water-gas shift (WGS) and Fischer-Tropsch synthesis (FTS) catalysts used in these processes may be poisoned by multiple contaminants found in coal-biomass derived syngas; sulfur species, trace toxic metals, halides, nitrogen species, the vapors of alkali metals and their salts (e.g., KCl and NaCl), ammonia, and phosphorous. Thus, it is essential to develop a fundamental understanding of poisoning/inhibition mechanisms before investing in the development of any costly mitigation technologies. We therefore investigated the impact of potential contaminants (H2S, NH3, HCN, AsH3, PH3, HCl, NaCl, KCl, AS3, NH4NO3, NH4OH, KNO3, HBr, HF, and HNO3) on the performance and lifetime of commercially available and generic (prepared in-house) WGS and FT catalysts.

  6. The economical production of alcohol fuels from coal-derived synthesis gas. Quarterly technical progress report Number 8, 1 July, 1993--30 September, 1993

    Energy Technology Data Exchange (ETDEWEB)

    1993-10-01

    Task 1, the preparation of catalyst materials, is proceeding actively. At WVU, catalysts based on Mo are being prepared using a variety of approaches to alter the oxidation state and environment of the Mo. At UCC and P, copper-based zinc chromite spinel catalysts will be prepared and tested. The modeling of the alcohol-synthesis reaction in a membrane reactor is proceeding actively. Under standard conditions, pressure drop in the membrane reactor has been shown to be negligible. In Task 2, base case designs had previously been completed with a Texaco gasifier. Now, similar designs have been completed using the Shell gasifier. A comparison of the payback periods or production cost of these plants shows significant differences among the base cases. However, a natural gas only design, prepared for comparison purposes, gives a lower payback period or production cost. Since the alcohol synthesis portion of the above processes is the same, the best way to make coal-derived higher alcohols more attractive economically than natural gas-derived higher alcohols is by making coal-derived syngas less expensive than natural gas-derived syngas. The maximum economically feasible capacity for a higher alcohol plant from coal-derived syngas appears to be 32 MM bbl/yr. This is based on consideration of regional coal supply in the eastern US, coal transportation, and regional product demand. The benefits of economics of scale are illustrated for the base case designs. A value for higher alcohol blends has been determined by appropriate combination of RVP, octane number, and oxygen content, using MTBE as a reference. This analysis suggests that the high RVP of methanol in combination with its higher water solubility make higher alcohols more valuable than methanol.

  7. NOVEL SLURRY PHASE DIESEL CATALYSTS FOR COAL-DERIVED SYNGAS

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Dragomir B. Bukur; Dr. Ketil Hanssen; Alec Klinghoffer; Dr. Lech Nowicki; Patricia O' Dowd; Dr. Hien Pham; Jian Xu

    2001-01-07

    This report describes research conducted to support the DOE program in novel slurry phase catalysts for converting coal-derived synthesis gas to diesel fuels. The primary objective of this research program is to develop attrition resistant catalysts that exhibit high activities for conversion of coal-derived syngas.

  8. DEVELOPMENT OF NOVEL CERAMIC NANOFILM-FIBER INTEGRATED OPTICAL SENSORS FOR RAPID DETECTION OF COAL DERIVED SYNTHESIS GAS

    Energy Technology Data Exchange (ETDEWEB)

    Junhang Dong; Hai Xiao; Xiling Tang; Hongmin Jiang; Kurtis Remmel; Amardeep Kaur

    2012-09-30

    The overall goal of this project is to conduct fundamental studies on advanced ceramic materials and fiber optic devices for developing new types of high temperature (>500{degree}C) fiber optic chemical sensors (FOCS) for monitoring fossil (mainly coal) and biomass derived gases in power plants. The primary technical objective is to investigate and demonstrate the nanocrystalline doped-ceramic thin film enabled FOCS that possess desired stability, sensitivity and selectivity for in-situ, rapid gas detection in the syngas streams from gasification and combustion flue gases. This report summarizes research works of two integrated parts: (1) development of metal oxide solid thin films as sensing materials for detection and measurement of important gas components relevant to the coal- and biomass-derived syngas and combustion gas streams at high temperatures; and (2) development of fiber optic devices that are potentially useful for constructing FOCS in combination with the solid oxide thin films identified in this program.

  9. Synthesis of zeolite-P from coal fly ash derivative and its utilisation in mine-water remediation

    Directory of Open Access Journals (Sweden)

    Leslie F. Petrik

    2010-05-01

    Full Text Available Solid residues resulting from the active treatment of acid mine drainage with coal fly ash were successfully converted to zeolite-P under mild hydrothermal treatment conditions. Scanning electron microscopy showed that the zeolite-P product was highly crystalline. The product had a high cation exchange capacity (178.7 meq / 100 g and surface area (69.1 m2/g and has potential application in waste-water treatment. A mineralogical analysis of the final product identified zeolite-P, as well as mullite and quartz phases, which indicated incomplete dissolution of the fly ash feedstock during the ageing step. Further optimisation of the synthesis conditions would be required to attain complete utilisation of the feedstock. The zeolite-P was tested for decontamination potential of circumneutral mine water. High removal efficiency was observed in the first treatment, but varied for different contaminants. The synthesised zeolite-P exhibited a high efficiency for the removal of heavy metal cations, such as aluminium, iron, manganese, zinc, copper and nickel, from contaminated mine water, even with repeated use. For potassium, calcium, strontium and barium, the removal was only efficient in the first treatment and decreased rapidly with subsequent treatments, indicating preferential adsorption of the other metals. A continuous release of sodium was observed during decontamination experiments, which decreased with subsequent treatments, confirming that sodium was the main exchangeable charge-balancing cation present in the zeolite-P product.

  10. The economical production of alcohol fuels from coal-derived synthesis gas. Quarterly technical progress report No. 4, July 1, 1992--September 30, 1992

    Energy Technology Data Exchange (ETDEWEB)

    1993-10-01

    A base case flow sheet for the production of higher alcohols from coal derived synthesis gas has been completed, including an economic analysis. The details of the flow sheet and economics are in Appendix 1. The pay back period for the capital investment for the plant has been calculated as a function of the market price of the product, and this figure is also shown as Figure I in Appendix 1. The estimated installed cost is almost $500 MM, and the estimated annual operating cost is $64 MM. At a price in the vicinity of $1.00/gal for the alcohol product, the pay back period for construction of the plant is four years. These values should be considered preliminary, since many of the capital costs were obtained from other paper studies sponsored by DOE and TVA and very few values could be found from actual plants which were built. This issue is currently being addressed. The most expensive capital costs were found to be the gasifier, the cryogenic air separation plant, the steam/power generation plant and the acid gas/sulfur removal processes taken as a whole. It is planned to focus attention on alternatives to the base case. The problem is that it is less expensive to make syngas from natural gas. Therefore, it is essential to reduce the cost of syngas from coal. This is where the energy park concept becomes important. In order for this process to be economical (at current market and political conditions) a method must be found to reduce the cost of syngas manufacture either by producing energy or by-products. Energy is produced in the base case, but the amount and method has not been optimized. The economic arguments for this concept are detailed in Appendix 2.

  11. Hydrotreating of coal-derived liquids

    Energy Technology Data Exchange (ETDEWEB)

    Lott, S.E.; Stohl, F.V.; Diegert, K.V. [Sandia National Lab., Albuquerque, NM (United States)] [and others

    1995-12-31

    To develop a database relating hydrotreating parameters to feed and product quality by experimentally evaluating options for hydrotreating whole coal liquids, distillate cuts of coal liquids, petroleum, and blends of coal liquids with petroleum.

  12. Quinazoline derivatives: synthesis and bioactivities

    OpenAIRE

    Wang, Dan; Gao, Feng

    2013-01-01

    Owing to the significant biological activities, quinazoline derivatives have drawn more and more attention in the synthesis and bioactivities research. This review summarizes the recent advances in the synthesis and biological activities investigations of quinazoline derivatives. According to the main method the authors adopted in their research design, those synthetic methods were divided into five main classifications, including Aza-reaction, Microwave-assisted reaction, Metal-mediated reac...

  13. Synthesis of 2-phosphaadamantane derivatives

    International Nuclear Information System (INIS)

    Zemlyanoi, V.N.; Aleksandrov, A.M.; Kukhar', V.P.

    1986-01-01

    The authors describe the synthesis and properties of 2-phosphadamantane derivatives. For the synthesis of 2-phosphaadamantane derivatives they decided to use the methodology of the synthesis of 2-thiaadamantane. The IR spectra were determined on CHCl 3 solutions with a Specord 711R spectrometer, the PMR spectra were determined on Tesla BS-467 (60 MHz) and Bruker WP-200 (200 MHz) spectrometers, external standard hexamethyldisiloxane, the 31 P NMR spectra were determined on Tesla BS-487 C (30 MHz) and Bruker WP-200 (81 MHz) spectrometers, external standard 85% phosphoric acid, and the mass spectra were determined on an MS-1302 spectrometer

  14. Literature survey of properties of synfuels derived from coal

    Science.gov (United States)

    Reynolds, T. W.; Niedzwiecki, R. W.; Clark, J. S.

    1980-02-01

    A literature survey of the properties of synfuels for ground-based gas turbine applications is presented. Four major concepts for converting coal into liquid fuels are described: solvent extraction, catalytic liquefaction, pyrolysis, and indirect liquefaction. Data on full range syncrudes, various distillate cuts, and upgraded products are presented for fuels derived from various processes, including H-coal, synthoil, solvent-refined coal, donor solvent, zinc chloride hydrocracking, co-steam, and flash pyrolysis. Some typical ranges of data for coal-derived low Btu gases are also presented.

  15. Literature survey of properties of synfuels derived from coal

    Science.gov (United States)

    Reynolds, T. W.; Niedzwiecki, R. W.; Clark, J. S.

    1980-01-01

    A literature survey of the properties of synfuels for ground-based gas turbine applications is presented. Four major concepts for converting coal into liquid fuels are described: solvent extraction, catalytic liquefaction, pyrolysis, and indirect liquefaction. Data on full range syncrudes, various distillate cuts, and upgraded products are presented for fuels derived from various processes, including H-coal, synthoil, solvent-refined coal, donor solvent, zinc chloride hydrocracking, co-steam, and flash pyrolysis. Some typical ranges of data for coal-derived low Btu gases are also presented.

  16. Synthesis of beta-sialon from coal gangue

    Energy Technology Data Exchange (ETDEWEB)

    Luo, X.Y.; Sun, J.L.; Deng, C.J.; Hong, Y.R. [Beijing University Science & Technology, Beijing (China)

    2003-01-01

    It is worth studying the synthesis of beta-Sialon from coal gangue, because coal gangue is a waste of coal production and is a high quality kaolin contained carbon which is a perfect raw material of contained reducer itself for synthesis of beta-sialon. The study showed that a high conversion rate of 95% from coal gangue to beta-Sialon could be obtained by using process of carbothermal reduction nitridation when strictly controlling the thermodynamic conditions of synthesis. For controlling the synthesis conditions, the details of the effects of p(CO), P-O{sub 2} and T on the conversion rate of beta-sialon are discussed and the phase diagrams of oxygen pressure vs composition for Si{sub 3}N{sub 4}-A{sub l}N-Al{sub 2}O{sub 3}-SiO{sub 2} system at 1350, 1500, and 1600{sup o}C are constructed.

  17. Alkaloid-derived molecules in low rank Argonne premium coals.

    Energy Technology Data Exchange (ETDEWEB)

    Winans, R. E.; Tomczyk, N. A.; Hunt, J. E.

    2000-11-30

    Molecules that are probably derived from alkaloids have been found in the extracts of the subbituminous and lignite Argonne Premium Coals. High resolution mass spectrometry (HRMS) and liquid chromatography mass spectrometry (LCMS) have been used to characterize pyridine and supercritical extracts. The supercritical extraction used an approach that has been successful for extracting alkaloids from natural products. The first indication that there might be these natural products in coals was the large number of molecules found containing multiple nitrogen and oxygen heteroatoms. These molecules are much less abundant in bituminous coals and absent in the higher rank coals.

  18. Chromatographic methods and techniques used in studies of coals, their progenitors and coal-derived materials

    Energy Technology Data Exchange (ETDEWEB)

    Zubkova, Valentina [Jan Kochanowski University of Humanities and Sciences, Institute of Chemistry, Kielce (Poland)

    2011-03-15

    The use of chromatography in studies of coals, their progenitors and coal-related products was reviewed. The specificity of the coal structure was discussed. The use of extraction in preparing study samples was discussed paying special attention to the occurrence of undesirable phenomena such as aggregation of coal derivate molecules, resulting from the formation of their dimers and trimers, and degradation of polar solvents at temperatures above 350 C. The following ways of fractionating samples of coal materials were considered: thermal, solvent, column with the use of preparative size exclusive chromatography and preparative thin layer chromatography as well as membrane separation. The use of chromatography coupled with experimental techniques such as mass spectrometry, infrared spectroscopy, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and pyrolysis was analysed. (orig.)

  19. Biological conversion of coal synthesis gas to methane

    Energy Technology Data Exchange (ETDEWEB)

    Barik, S; Corder, R E; Clausen, E C; Gaddy, J L

    1987-09-01

    High temperatures and pressures are required, and therefore, high costs incurred during catalytic upgrading of coal synthesis gas to methane. Thus, the feasibility of biological reactions in converting synthesis gas to methane has been demonstrated in mixed and pure cultures. Complete conversion has been achieved in 2 hours with a mixed culture, and 45 minutes to 1.5 hours in pure cultures of P. productus and Methanothrix sp.. Typical sulfur levels involved during the process are found not to inhibit the bacteria and so sulfur does not have to be removed prior to biomethanation. Preliminary economic analyses indicate that coal gas may be biologically methanated for 50-60 cents/million Btu. Further studies with pure culture bacteria and increased pressure are expected to enhance biomethanation economics.

  20. Prediction of thermodynamic properties of coal derivatives

    International Nuclear Information System (INIS)

    Donohue, M.D.

    1993-09-01

    We have developed new equations of state for pure-component chain molecules. The excellent performance of complicated theories, such as the Generalized Flory Dimer (GFD) theory can be mimicked by simpler equations, if assumptions for the shape parameters are made. We developed engineering correlations based on GFD theory, using local composition theory to take into account attractive forces. During this period, we compared methods for calculating repulsive and attractive contributions to equation of state against computer simulation data for hard and square-well chains, and against experimental data from the literature. We also have studied microstructure and local order in fluids that contain asymmetric molecules. We developed a thermodynamic model for polar compounds based on a site-site interaction approach. We have shown the equivalence of various classes of theories for hydrogen bonding, and used this equivalence to derive a multiple site model for water. In addition, simple cubic equations of state have been applied to calculate physical and chemical-reaction equilibria in nonideal systems. We measured infinite dilution activity coefficients using HPLC. We also measured high pressure vapor liquid equilibria of ternary and quaternary systems containing supercritical solvents. We used FT-IR spectroscopy to examine self-association of aliphatic alcohols due to hydrogen bonding, and to investigate the hydrogen bonding in polymer-solvent mixtures

  1. THE ECONOMICAL PRODUCTION OF ALCOHOL FUELS FROM COAL-DERIVED SYNTHESIS GAS. Includes quarterly technical progress report No.25 from 10/01/1997-12/31/1997, and quarterly technical progress report No.26 from 01/01/1998-03/31/1998; FINAL

    International Nuclear Information System (INIS)

    1999-01-01

    This project was divided into two parts. One part evaluated possible catalysts for producing higher-alcohols (C(sub 2) to C(sub 5+)) as fuel additives. The other part provided guidance by looking both at the economics of mixed-alcohol production from coal-derived syngas and the effect of higher alcohol addition on gasoline octane and engine performance. The catalysts studied for higher-alcohol synthesis were molybdenum sulfides promoted with potassium. The best catalysts produced alcohols at a rate of 200 g/kg of catalyst/h. Higher-alcohol selectivity was over 40%. The hydrocarbon by-product was less than 20%. These catalysts met established success criteria. The economics for mixed alcohols produced from coal were poor compared to mixed alcohols produced from natural gas. Syngas from natural gas was always less expensive than syngas from coal. Engine tests showed that mixed alcohols added to gasoline significantly improved fuel quality. Mixed-alcohols as produced by our catalysts enhanced gasoline octane and decreased engine emissions. Mixed-alcohol addition gave better results than adding individual alcohols as had been done in the 1980's when some refiners added methanol or ethanol to gasoline

  2. THE ECONOMICAL PRODUCTION OF ALCOHOL FUELS FROM COAL-DERIVED SYNTHESIS GAS. Includes quarterly technical progress report No.25 from 10/01/1997-12/31/1997, and quarterly technical progress report No.26 from 01/01/1998-03/31/1998

    Energy Technology Data Exchange (ETDEWEB)

    None

    1999-03-01

    This project was divided into two parts. One part evaluated possible catalysts for producing higher-alcohols (C{sub 2} to C{sub 5+}) as fuel additives. The other part provided guidance by looking both at the economics of mixed-alcohol production from coal-derived syngas and the effect of higher alcohol addition on gasoline octane and engine performance. The catalysts studied for higher-alcohol synthesis were molybdenum sulfides promoted with potassium. The best catalysts produced alcohols at a rate of 200 g/kg of catalyst/h. Higher-alcohol selectivity was over 40%. The hydrocarbon by-product was less than 20%. These catalysts met established success criteria. The economics for mixed alcohols produced from coal were poor compared to mixed alcohols produced from natural gas. Syngas from natural gas was always less expensive than syngas from coal. Engine tests showed that mixed alcohols added to gasoline significantly improved fuel quality. Mixed-alcohols as produced by our catalysts enhanced gasoline octane and decreased engine emissions. Mixed-alcohol addition gave better results than adding individual alcohols as had been done in the 1980's when some refiners added methanol or ethanol to gasoline.

  3. Investigation of sulfur-polycyclic aromatic hydrocarbon in coal derived tars of pyrolysis and hydropyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Chen, H.; Li, B.; Zhang, B. [Chinese Academy of Sciences, Taiyuan (China). State Key Laboratory of Coal Conversion

    1999-07-01

    A study was undertaken to characterize sulphur forms in coal derived tars from pyrolysis and hydropyrolysis of bituminous coal and lignite. The pyrolysis tars were analyzed for content of polycyclic aromatic sulfur hydrocarbons (PASH). 5 refs., 3 figs., 3 tabs.

  4. Design, synthesis, and characterization of novel fine-particle, unsupported catalysts for coal liquefaction

    Energy Technology Data Exchange (ETDEWEB)

    Klein, M.T.

    1991-12-30

    The purpose of this work is to investigate the kinetics-assisted design, synthesis and characterization of fme-pardcle, unsupported catalysts for coal liquefaction. The goal is to develop a fundamental understanding of coal catalysis and catalysts that will, in turn, allow for the specification of a novel optimal catalyst for coal liquefaction.

  5. Evaluation of catalytic combustion of actual coal-derived gas

    Science.gov (United States)

    Blanton, J. C.; Shisler, R. A.

    1982-01-01

    The combustion characteristics of a Pt-Pl catalytic reactor burning coal-derived, low-Btu gas were investigated. A large matrix of test conditions was explored involving variations in fuel/air inlet temperature and velocity, reactor pressure, and combustor exit temperature. Other data recorded included fuel gas composition, reactor temperatures, and exhaust emissions. Operating experience with the reactor was satisfactory. Combustion efficiencies were quite high (over 95 percent) over most of the operating range. Emissions of NOx were quite high (up to 500 ppm V and greater), owing to the high ammonia content of the fuel gas.

  6. Zinc isotopic composition of particulate matter generated during the combustion of coal and coal + tire-derived fuels

    Science.gov (United States)

    Borrok, D.M.; Gieré, R.; Ren, M.; Landa, E.R.

    2010-01-01

    Atmospheric Zn emissions from the burning of coal and tire-derived fuel (TDF) for power generation can be considerable. In an effort to lay the foundation for tracking these contributions, we evaluated the Zn isotopes of coal, a mixture of 95 wt % coal + 5 wt % TDF, and the particulate matter (PM) derived from their combustion in a power-generating plant. The average Zn concentrations and δ(66)Zn were 36 mg/kg and 183 mg/kg and +0.24‰ and +0.13‰ for the coal and coal + TDF, respectively. The δ(66)Zn of the PM sequestered in the cyclone-type mechanical separator was the lightest measured, -0.48‰ for coal and -0.81‰ for coal+TDF. The δ(66)Zn of the PM from the electrostatic precipitator showed a slight enrichment in the heavier Zn isotopes relative to the starting material. PM collected from the stack had the heaviest δ(66)Zn in the system, +0.63‰ and +0.50‰ for the coal and coal + TDF, respectively. Initial fractionation during the generation of a Zn-rich vapor is followed by temperature-dependent fractionation as Zn condenses onto the PM. The isotopic changes of the two fuel types are similar, suggesting that their inherent chemical differences have only a secondary impact on the isotopic fractionation process.

  7. Improvement of hydrodenitrogenation (HDN) in co-refining of coal-derived liquid and petroleum fraction

    Energy Technology Data Exchange (ETDEWEB)

    Machida, M.; Ono, S. [Idemitsu Kosan Co. Ltd., Tokyo (Japan); Hattori, H. [Hokkaido University, Sapporo (Japan). Center for Advanced Research of Energy Technology

    1997-09-01

    The improvement in hydrodenitrogenation (HDN) of coal-derived liquids by co-refining with a petroleum fraction results principally from lowering the nitrogen content of the feedstock (coal-derived liquid) by blending with a nitrogen-free petroleum fraction. Effects of different fractions of coal-derived liquids on HDN and hydrodeoxygenation (HDO) were also examined. The HDN improvement by co-refining could be interpreted in terms of Langmuir-Hinshelwood mechanism. 38 refs., 3 figs., 3 tabs.

  8. derivatives: Synthesis and antimicrobial evaluation

    Indian Academy of Sciences (India)

    cal activity study revealed that all compounds showed promising activities and bis-(1H-2-benzopyran-1-one) derivatives (5) ...... A and Galvez J 2004 Planta Med. 70 315. 6. ... Ante N, Erik De C, Jan B and Mladen M 2011 Molecules. 16 6023.

  9. Hydrotreating of heavy distillate derived from Wandoan coal liquefaction

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Y. [National Institute for Resources and Environment, Osaka (Japan). Hydrocarbon Research Lab.

    1997-12-03

    The paper reports how the hydrotreatment of coal-derived heavy distillate, obtained from the liquefaction of Wandoan coal using a 1 t/day bench unit, was performed to clarify the effects of catalyst species, reaction temperature and hydrogen pressure on the chemical composition of the product. Experimental runs were carried out over alumina-supported Go-Mo and Ni-Mo catalysts in a fixed bed reactor of 20 ml in volume at 350-390{degree}C under hydrogen pressure of 50-150 kg/cm{sup 2}G with liquid hourly space velocity (LHSV) of 0.5-2 h{sup -1}. The product, as analyzed by gas chromatography, indicated that larger amounts of alkylbenzenes such as toluene or xylenes were produced at the elevated temperature of 390{degree}C, but the concentrations of condensed aromatics such as naphthalene, biphenyl, fluorene and phenanthrene decreased with the severity of reaction conditions. Pyrene and methylpyrene decreased in amount with a shorter LHSV and higher hydrogen pressure, but increased at higher temperature of 390{degree}C. Shorter LHSV and higher hydrogen pressure are much more effective in hydrogenation, hydrodnitrogenation and hydrodeoxygenation than the higher reaction temperature up to 390{degree}C.

  10. Synthesis of Lipophilic Guanine N-9 Derivatives

    DEFF Research Database (Denmark)

    Wamberg, Michael C; Pedersen, Pernille L; Löffler, Philipp M G

    2017-01-01

    the synthesis of five new guanine-N9 derivatives bearing alkyl chains with different attachment chemistries, exploiting a synthesis pathway that allows a flexible choice of hydrophobic anchor moiety. In this study, these guanine derivatives were functionalized with C10 chains for insertion into decanoic acid...... bilayer structures, in which both alkyl chain length and attachment chemistry determined their interaction with the membrane. Incubation of these guanine conjugates, as solids, with a decanoic acid vesicle suspension, showed that ether- and triazole-linked C10 anchors yielded an increased partitioning...... of the guanine derivative into the membranous phase compared to directly N-9-linked saturated alkyl anchors. Decanoic acid vesicle membranes could be loaded with up to 5.5 mol % guanine derivative, a 6-fold increase over previous limits. Thus, anchor chemistries exhibiting favorable interactions with a bilayer...

  11. Carbon and oxygen isotopic composition of coal and carbon dioxide derived from laboratory coal combustion: A preliminary study

    Science.gov (United States)

    Warwick, Peter D.; Ruppert, Leslie F.

    2016-01-01

    The concentration of carbon dioxide (CO2) in the atmosphere has dramatically increased from the start of the industrial revolution in the mid-1700s to present levels exceeding 400 ppm. Carbon dioxide derived from fossil fuel combustion is a greenhouse gas and a major contributor to on-going climate change. Carbon and oxygen stable isotope geochemistry is a useful tool to help model and predict the contributions of anthropogenic sources of CO2 in the global carbon cycle. Surprisingly few studies have addressed the carbon and oxygen isotopic composition of CO2 derived from coal combustion. The goal of this study is to document the relationships between the carbon and oxygen isotope signatures of coal and signatures of the CO2 produced from laboratory coal combustion in atmospheric conditions.Six coal samples were selected that represent various geologic ages (Carboniferous to Tertiary) and coal ranks (lignite to bituminous). Duplicate splits of the six coal samples were ignited and partially combusted in the laboratory at atmospheric conditions. The resulting coal-combustion gases were collected and the molecular composition of the collected gases and isotopic analyses of δ13C of CO2, δ13C of CH4, and δ18O of CO2 were analysed by a commercial laboratory. Splits (~ 1 g) of the un-combusted dried ground coal samples were analyzed for δ13C and δ18O by the U.S. Geological Survey Reston Stable Isotope Laboratory.The major findings of this preliminary work indicate that the isotopic signatures of δ13C (relative to the Vienna Pee Dee Belemnite scale, VPDB) of CO2 resulting from coal combustion are similar to the δ13CVPDB signature of the bulk coal (− 28.46 to − 23.86 ‰) and are not similar to atmospheric δ13CVPDB of CO2 (~ − 8 ‰, see http://www.esrl.noaa.gov/gmd/outreach/isotopes/c13tellsus.html). The δ18O values of bulk coal are strongly correlated to the coal dry ash yields and appear to have little or no influence on the δ18O values of CO2

  12. Assessment of ground-water contamination by coal-tar derivatives, St. Louis Park area, Minnesota

    Science.gov (United States)

    Hult, M.F.

    1984-01-01

    Operation of a coal-tar distillation and wood-preserving facility in St. Louis Park, Minnesota, during 1918-72 contaminated ground water with coal-tar derivatives and inorganic chemicals. Coal-tar derivatives entered the groundwater system through three major paths: (1) Spills and drippings that percolated to the water table, (2) surface runoff and plant process water that was discharged to wetlands south of the former plant site, and (3) movement of coal tar directly into bedrock aquifers through a multiaquifer well on the site.

  13. Integrated report on the toxicological mitigation of coal liquids by hydrotreatment and other processes. [Petroleum and coal-derived products

    Energy Technology Data Exchange (ETDEWEB)

    Guerin, M.R.; Griest, W.H.; Ho, C.H.; Smith, L.H.; Witschi, H.P.

    1986-06-01

    Research here on the toxicological properties of coal-derived liquids focuses on characterizing the refining process and refined products. Principle attention is given to the potential tumorigenicity of coal-derived fuels and to the identification of means to further reduce tumorigenicity should this be found necessary. Hydrotreatment is studied most extensively because it will be almost certainly required to produce commercial products and because it is likely to also greatly reduce tumorigenic activity relative to that of crude coal-liquid feedstocks. This report presents the results of a lifetime C3H mouse skin tumorigenicity assay of an H-Coal series of oils and considers the relationships between tumorigenicity, chemistry, and processing. Lifetime assay results are reported for an H-Coal syncrude mode light oil/heavy oil blend, a low severity hydrotreatment product, a high severity hydrotreatment product, a naphtha reformate, a heating oil, a petroleum-derived reformate, and a petroleum derived heating oil. Data are compared with those for an earlier study of an SRC-II blend and products of its hydrotreatment. Adequate data are presented to allow an independent qualitative assessment of the conclusions while statistical evaluation of the data is being completed. The report also documents the physical and chemical properties of the oils tested. 33 refs., 14 figs., 53 tabs.

  14. Preparation and evaluation of coal-derived activated carbons for removal of mercury vapor from simulated coal combustion flue fases

    Science.gov (United States)

    Hsi, H.-C.; Chen, S.; Rostam-Abadi, M.; Rood, M.J.; Richardson, C.F.; Carey, T.R.; Chang, R.

    1998-01-01

    Coal-derived activated carbons (CDACs) were tested for their suitability in removing trace amounts of vapor-phase mercury from simulated flue gases generated by coal combustion. CDACs were prepared in bench-scale and pilot-scale fluidized-bed reactors with a three-step process, including coal preoxidation, carbonization, and then steam activation. CDACs from high-organicsulfur Illinois coals had a greater equilibrium Hg0 adsorption capacity than activated carbons prepared from a low-organic-sulfur Illinois coal. When a low-organic-sulfur CDAC was impregnated with elemental sulfur at 600 ??C, its equilibrium Hg0 adsorption capacity was comparable to the adsorption capacity of the activated carbon prepared from the high-organicsulfur coal. X-ray diffraction and sulfur K-edge X-ray absorption near-edge structure examinations showed that the sulfur in the CDACs was mainly in organic forms. These results suggested that a portion of the inherent organic sulfur in the starting coal, which remained in the CDACs, played an important role in adsorption of Hg0. Besides organic sulfur, the BET surface area and micropore area of the CDACs also influenced Hg0 adsorption capacity. The HgCl2 adsorption capacity was not as dependent on the surface area and concentration of sulfur in the CDACs as was adsorption of Hg0. The properties and mercury adsorption capacities of the CDACs were compared with those obtained for commercial Darco FGD carbon.

  15. Adsorption of ultra-low concentration malodorous substances using coal-derived granular activated carbons

    Energy Technology Data Exchange (ETDEWEB)

    Urano, K.; Maeda, T.; Yamashita, H.; Hagio, S.; Arioka, A.

    1986-01-01

    The experimental adsorption is reported of diosmin and 2-methylisoborneol using two types of coal-derived granular activated carbon and one derived from coconut husk. It was discovered that carbons with more pores below 15 angstroms in size gave a higher equilibrium adsorption of malodorous substances at mg/l concentrations. It was also found that the coal-derived materials, which contained more pores larger than 15 angstroms, gave faster adsorption. Given that the coal-derived carbons have a longer service life, it is concluded that they are suitable for use in full-scale adsorption plant where contact times are short. 3 references, 5 figures, 5 tables.

  16. Competitive reaction in hydrodenitrogenation and hydrodeoxygenation of coal-derived naphtha

    Energy Technology Data Exchange (ETDEWEB)

    Machida, M. (Idemitsu Kosan Co. Ltd., Tokyo (Japan). Central Research Lab.); Sakao, Y.; Ono, S. (Idemitsu Kosan Co. Ltd., Tokyo (Japan))

    1994-03-01

    The naphtha fraction derived from coal is expected to be one of the most suitable blending stocks for motor gasoline because of its high contents of cyclic hydrocarbons. However, since the contents of nitrogen and oxygen are high in the coal naphtha, the amounts of these elements must be reduced to acceptable levels. In this study, aiming to clarify the hydrodenitrogenation (HDN) and hydrodeoxygenation (HDO) performances of practical feed stocks, HDN and HDO of coal-derived naphtha and its model compounds were examined by using a catalyst Ni-Mo/Al2O3 group. There are tree types of nitrogen compounds, pyridine, pyrrole and aniline, in the coal-derived naphtha. Aniline type nitrogen compounds in the coal-derived naphtha are more resistant to HDN than pyridine type compounds, though aniline is more reactive than pyridine when the reaction is carried out individually. 14 refs., 7 figs., 3 tabs.

  17. Synthesis and characterization of zeolite from coal fly ash

    Science.gov (United States)

    Liu, Yong; Luo, Qiong; Wang, Guodong; Li, Xianlong; Na, Ping

    2018-05-01

    Fly ash (FA) from coal-based thermal power plant was used to synthesize zeolite in NaOH solution with hydrothermal method in this work. Firstly, the effects of calcination and acid treatment on the removal of impurities in fly ash were studied. Then based on the pretreated FA, the effects of alkali concentration, reaction temperature and Si/Al ratio on the synthesis of zeolite were studied in detail. The mineralogy, morphology, thermal behavior, infrared spectrum and specific surface for the synthetic sample were investigated. The results indicated that calcination at 750 °C for 1.5 h can basically remove unburned carbon from FA, and 4 M hydrochloric acid treatment of calcined FA at 90 °C for 2 h will reduce the quality of about 34.3%wt, which are mainly iron, calcium and sulfur elements. The concentration of NaOH, reaction temperature and Si/Al ratio have important effect on the synthesis of zeolite. In this study, 0.5 M NaOH cannot obtain any zeolite. High temperature is beneficial to zeolite synthesis from FA, but easily lead to a variety of zeolites. The synthetic sample contains three kinds of zeolites such as zeolite P, sodalite and zeolite X, when the reaction conditions are 2 M NaOH and 120 °C for 24 h. In this research, quartz always exists in the synthetic sample, but will reduce with the increase of temperature. The synthetic zeolite has the specific surface area of about 42 m2 g‑1 and better thermal stability.

  18. Moderate temperature gas purification system: Application to high calorific coal-derived fuel

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, M.; Shirai, H.; Nunokawa, M. [Central Research Institute of Electric Power Industry, Kanagawa (Japan)

    2008-01-15

    Simultaneous removal of dust, alkaline and alkaline-earth metals, halides and sulfur compounds is required to enlarge application of coal-derived gas to the high-temperature fuel cells and the fuel synthesis through chemical processing. Because high calorific fuel gas, such as oxygen-blown coal gas, has high carbon monoxide content, high-temperature (above 450{sup o}C) gas purification system is always subjected to the carbon deposition. We suggest moderate temperature (around 300{sup o}C) operation of the gas purification system to avoid the harmful disproportionation reaction and efficient removal of the various contaminants. Because the reaction rate is predominant to the performance of contaminant removal in the moderate temperature gas purification system, we evaluated the chemical removal processes; performance of the removal processes for halides and sulfur compounds was experimentally evaluated. The halide removal process with sodium aluminate sorbent had potential performance at around 300{sup o}C. The sulfur removal process with zinc ferrite sorbent was also applicable to the temperature range, though the reaction kinetics of the sorbent is essential to be approved.

  19. Moderate temperature gas purification system: application to high calorific coal derived fuel

    Energy Technology Data Exchange (ETDEWEB)

    M. Kobayashi; H. Shirai; M. Nunokawa [Central Research Institute of Electric Power Industry (CRIEPI), Kanagawa (Japan)

    2005-07-01

    Simultaneous removal of dust, alkaline and alkaline-earth metals, halides and sulfur compounds is required to enlarge application of coal-derived gas to the high temperature fuel cells and the fuel synthesis through chemical processing. Because high calorific fuel gas, such as oxygen-blown coal gas, has high carbon monoxide content, high temperature gas purification system is always subjected to the carbon deposition and slippage of contaminant of high vapor pressure. It was suggested that moderate temperature operation of the gas purification system is applied to avoid the harmful disproportionation reaction and efficient removal of the various contaminants. To establish the moderate temperature gas purification system, the chemical-removal processes where the reaction rate is predominant to the performance of contaminant removal should be evaluated. Performance of the removal processes for halides and sulfur compounds were experimentally evaluated. The halide removal process with sodium based sorbent had potential good performance at around 300{sup o}C. The sulfur removal process was also applicable to the temperature range, although the improvement of the sulfidation reaction rate is considered to be essential. 11 refs., 8 figs., 1 tab.

  20. Catalytic hydrotreatment of coal-derived naphtha using commercial catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Liaw, S.-J.; Keogh, R.A.; Thomas, G.A.; Davis, B.H. (University of Kentucky, Lexington, KY (United States). Center for Applied Energy Research)

    Naphtha samples derived from the liquefaction of a bituminous Illinois No. 6 and a subbituminous Black Thunder coal were hydrotreated using commercial Co-Mo/Al[sub 2]O[sub 3], Ni-Mo/Al[sub 2]O[sub 3], and Ni-W/Al[sub 2]O[sub 3] catalysts. It was easier to remove the N, O and S heteroatoms from Illinois No. 6 naphtha than from the Black Thunder naphtha. Nitrogen and oxygen were more difficult to remove than sulfur in the temperature range 200-400[degree]C. Considerable differences in catalyst activity for the hydrodenitrogenation (HDN), hydrodeoxygenation (HDO), and hydrodesulfurization (HDS) reactions were observed. The Ni-Mo catalyst was found to be the most active catalyst for the HDN and HDO reactions and the least active catalyst for the HDS. The Co-Mo catalyst was the most active catalyst for the sulfur removal. For the Illinois No. 6 naphtha, a first-order reaction applies for the HDN and HDO reactions for all three catalysts. However, for the Black Thunder naphtha, the first-order reaction applies only at the lower space velocities; a large deviation is observed at higher space velocities. 11 refs., 15 figs., 4 tabs.

  1. Warm Cleanup of Coal-Derived Syngas: Multicontaminant Removal Process Demonstration

    Energy Technology Data Exchange (ETDEWEB)

    Spies, Kurt A.; Rainbolt, James E.; Li, Xiaohong S.; Braunberger, Beau; Li, Liyu; King, David L.; Dagle, Robert A.

    2017-02-15

    Warm cleanup of coal- or biomass-derived syngas requires sorbent and catalytic beds to protect downstream processes and catalysts from fouling. Sulfur is particularly harmful because even parts-per-million amounts are sufficient to poison downstream synthesis catalysts. Zinc oxide (ZnO) is a conventional sorbent for sulfur removal; however, its operational performance using real gasifier-derived syngas and in an integrated warm cleanup process is not well reported. In this paper, we report the optimal temperature for bulk desulfurization to be 450oC, while removal of sulfur to parts-per-billion levels requires a lower temperature of approximately 350oC. Under these conditions, we found that sulfur in the form of both hydrogen sulfide and carbonyl sulfide could be absorbed equally well using ZnO. For long-term operation, sorbent regeneration is desirable to minimize process costs. Over the course of five sulfidation and regeneration cycles, a ZnO bed lost about a third of its initial sulfur capacity, however sorbent capacity stabilized. Here, we also demonstrate, at the bench-scale, a process and materials used for warm cleanup of coal-derived syngas using five operations: 1) Na2CO3 for HCl removal, 2) regenerable ZnO beds for bulk sulfur removal, 3) a second ZnO bed for trace sulfur removal, 4) a Ni-Cu/C sorbent for multi-contaminant inorganic removal, and 5) a Ir-Ni/MgAl2O4 catalyst employed for ammonia decomposition and tar and light hydrocarbon steam reforming. Syngas cleanup was demonstrated through successful long-term performance of a poison-sensitive, Cu-based, water-gas-shift catalyst placed downstream of the cleanup process train. The tar reformer is an important and necessary operation with this particular gasification system; its inclusion was the difference between deactivating the water-gas catalyst with carbon deposition and successful 100-hour testing using 1 LPM of coal-derived syngas.

  2. Coal pyrolysis under synthesis gas, hydrogen and nitrogen

    Energy Technology Data Exchange (ETDEWEB)

    Ariunaa, A.; Li Bao-Qing; Li Wen; Purevsuren, B. (and others) [Chinese Academy of Sciences, Taiyuan (China)

    2007-02-15

    Chinese Xundian, Mongolian Shiveeovoo lignites and Khoot oil shale are pyrolyzed under synthesis gas (SG) at temperature range from 400 to 800{sup o}C for lignite and from 300 to 600{sup o}C for oil shale with heating rate of 10{sup o}C/min in a fixed bed reactor. The results were compared with those obtained by pyrolysis under hydrogen and nitrogen. The results showed that unlike pyrolysis at high pressure, there are only slight different in the yields of char and tar among pyrolyses under various gases at room pressure for lignite, while higher liquid yield with lower yields of char and gas was obtained in pyrolysis of oil shale under SG and H{sub 2} than under N{sub 2}. It is found that the pyrite S can be easily removed to partially convert to organic S under various gaseous atmosphere and the total sulfur removal for oil shale is much less than lignite, which might be related to its high ash content. The higher total sulfur removal and less organic S content in the presence of SG in comparison with those under N{sub 2} and even under H{sub 2} in pyrolysis of Xundian lignite might result from the action of CO in SG. However, CO does not show its function in pyrolysis of Khoot oil shale, which might also be related to the high ash content. The results reported show the possibility of using synthesis gas instead of pure hydrogen as the reactive gas for coal hydropyrolysis. 11 refs., 4 figs., 6 tabs.

  3. Alternative reaction routes during coal hydrogenation and coal derived oil upgrading

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, H.; Kordokuzis, G.; Langner, M. (University of Karlsruhe, Karlsruhe (Germany, F.R.). Engler-Bunte-Institute)

    1989-10-01

    Alternative reaction routes have been traced for the hydrodenitrogenation and hydrodeoxygenation of coal structure related model compounds. Reaction pathways are very structure specific. It is shown how reaction mechanisms switch from one route to another with changes in reaction conditions and catalyst features. Optimization of coal liquefaction processes can make use of this detailed understanding of selectivity. 5 refs., 7 figs.

  4. Application of zeolite-based catalyst to hydrocracking of coal-derived liquids

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, H.; Sato, T.; Yoshimura, Y.; Hinata, A.; Yoshitomi, S.; Castillo Mares, A.; Nishijima, A. (National Chemical Laboratory for Industry, Tsukuba (Japan))

    1990-06-01

    Y-zeolite supported catalysts were applied to the hydrocracking of coal-derived liquids. By the introduction of two-stage upgrading consisting of hydrotreating and hydrocracking, Wandoan coal-derived middle distillate was hydrocracked over Ni-Mo/Y-zeolite, producing a high gasoline fraction yield. Zeolite supported catalysts gave little hydrocracked compounds in the hydroprocessing of coal-derived heavy oils, even after hydrotreatment. The reaction inhibitors which seriously poison the active sites of zeolites were found to be small nitrogen-containing molecules. In the hydroprocessing of coal-derived heavy oils, zeolite supported catalysts were inferior to alumina supported catalysts. This is due to the high hydrocracking but low hydrogenation activity of zeolite supported catalysts. 22 refs., 5 figs., 11 tabs.

  5. Synthesis of a hierarchically structured zeolite-templated carbon starting from fly ash-derived zeolite X

    CSIR Research Space (South Africa)

    Musyoka, Nicholas M

    2014-05-01

    Full Text Available A hierarchically structured zeolite derived from coal fly ash was used as a hard templating agent for the synthesis of a templated carbonaceous material. The samples were characterized using XRD, SEM, TEM, TGA, EDS and BET. The resulting carbon had...

  6. Production of High-Hydrogen Content Coal-Derived Liquids [Part 3 of 3

    Energy Technology Data Exchange (ETDEWEB)

    Stephen Bergin

    2011-03-30

    The primary goal of this project has been to evaluate and compare the effect of the intrinsic differences between cobalt (Co) and iron (Fe) catalysts for Fischer-Tropsch (FT) synthesis using coal-derived syngas. Crude oil, especially heavy, high-sulfur crude, is no longer the appropriate source for the additional, or marginal, amounts of middle-distillate fuels needed to meet growing US and world demand for diesel and jet fuels. Only about 1/3 of the marginal crude oil barrel can be made into diesel and jet fuels. The remaining 2/3 contributes further to global surpluses of by-products. FT can produce these needed marginal, low-sulfur middle-distillate fuels more efficiently, with less environmental impact, and from abundant US domestic resources. Cobalt FT catalyst is more efficient, and less expensive overall, than iron FT catalyst. Mechanisms of cobalt FT catalyst functioning, and poisoning, have been elucidated. Each of these primary findings is amplified by several secondary findings, and these are presented, and verified in detail. The most effective step the United States can take to begin building toward improved long-term national energy security, and to reduce dependence, over time, on imported crude oil from unfriendly and increasingly unstable areas of the world, is to begin producing additional, or marginal amounts of, middle-distillate-type fuels, such as ultralow sulfur diesel (ULSD) and jet fuel (not gasoline) from US domestic resources other than petroleum. FT synthesis of these middle distillate fuels offers the advantage of being able to use abundant and affordable US coal and biomass as the primary feedstocks. Use of the cobalt FT catalyst system has been shown conclusively to be more effective and less expensive than the use of iron FT catalyst with syngas derived from coal, or from coal and biomass combined. This finding is demonstrated in detail for the initial case of a relatively small FT plant of about 2000 barrels per day based upon coal

  7. Production of High-Hydrogen Content Coal-Derived Liquids [Part 2 of 3

    Energy Technology Data Exchange (ETDEWEB)

    Stephen Bergin

    2011-03-30

    The primary goal of this project has been to evaluate and compare the effect of the intrinsic differences between cobalt (Co) and iron (Fe) catalysts for Fischer-Tropsch (FT) synthesis using coal-derived syngas. Crude oil, especially heavy, high-sulfur crude, is no longer the appropriate source for the additional, or marginal, amounts of middle-distillate fuels needed to meet growing US and world demand for diesel and jet fuels. Only about 1/3 of the marginal crude oil barrel can be made into diesel and jet fuels. The remaining 2/3 contributes further to global surpluses of by-products. FT can produce these needed marginal, low-sulfur middle-distillate fuels more efficiently, with less environmental impact, and from abundant US domestic resources. Cobalt FT catalyst is more efficient, and less expensive overall, than iron FT catalyst. Mechanisms of cobalt FT catalyst functioning, and poisoning, have been elucidated. Each of these primary findings is amplified by several secondary findings, and these are presented, and verified in detail. The most effective step the United States can take to begin building toward improved long-term national energy security, and to reduce dependence, over time, on imported crude oil from unfriendly and increasingly unstable areas of the world, is to begin producing additional, or marginal amounts of, middle-distillate-type fuels, such as ultralow sulfur diesel (ULSD) and jet fuel (not gasoline) from US domestic resources other than petroleum. FT synthesis of these middle distillate fuels offers the advantage of being able to use abundant and affordable US coal and biomass as the primary feedstocks. Use of the cobalt FT catalyst system has been shown conclusively to be more effective and less expensive than the use of iron FT catalyst with syngas derived from coal, or from coal and biomass combined. This finding is demonstrated in detail for the initial case of a relatively small FT plant of about 2000 barrels per day based upon coal

  8. Production of High-Hydrogen Content Coal-Derived Liquids [Part 1 of 3

    Energy Technology Data Exchange (ETDEWEB)

    Stephen Bergin

    2011-03-30

    The primary goal of this project has been to evaluate and compare the effect of the intrinsic differences between cobalt (Co) and iron (Fe) catalysts for Fischer-Tropsch (FT) synthesis using coal-derived syngas. Crude oil, especially heavy, high-sulfur crude, is no longer the appropriate source for the additional, or marginal, amounts of middle-distillate fuels needed to meet growing US and world demand for diesel and jet fuels. Only about 1/3 of the marginal crude oil barrel can be made into diesel and jet fuels. The remaining 2/3 contributes further to global surpluses of by-products. FT can produce these needed marginal, low-sulfur middle-distillate fuels more efficiently, with less environmental impact, and from abundant US domestic resources. Cobalt FT catalyst is more efficient, and less expensive overall, than iron FT catalyst. Mechanisms of cobalt FT catalyst functioning, and poisoning, have been elucidated. Each of these primary findings is amplified by several secondary findings, and these are presented, and verified in detail. The most effective step the United States can take to begin building toward improved long-term national energy security, and to reduce dependence, over time, on imported crude oil from unfriendly and increasingly unstable areas of the world, is to begin producing additional, or marginal amounts of, middle-distillate-type fuels, such as ultralow sulfur diesel (ULSD) and jet fuel (not gasoline) from US domestic resources other than petroleum. FT synthesis of these middle distillate fuels offers the advantage of being able to use abundant and affordable US coal and biomass as the primary feedstocks. Use of the cobalt FT catalyst system has been shown conclusively to be more effective and less expensive than the use of iron FT catalyst with syngas derived from coal, or from coal and biomass combined. This finding is demonstrated in detail for the initial case of a relatively small FT plant of about 2000 barrels per day based upon coal

  9. CO-COMBUSTION OF REFUSE DERIVED FUEL WITH COAL IN A FLUIDISED BED COMBUSTOR

    Directory of Open Access Journals (Sweden)

    W. A. WAN AB KARIM GHANI

    2009-03-01

    Full Text Available Power generation from biomass is an attractive technology which utilizes municipal solid waste-based refused derived fuel. In order to explain the behavior of biomass-fired fluidized bed incinerator, biomass sources from refuse derived fuel was co-fired with coal in a 0.15 m diameter and 2.3 m high fluidized bed combustor. The combustion efficiency and carbon monoxide emissions were studied and compared with those from pure coal combustion. This study proved that the blending effect had increased the carbon combustion efficiency up to 12% as compared to single MSW-based RDF. Carbon monoxide levels fluctuated between 200-1600 ppm were observed when coal is added. It is evident from this research that efficient co-firing of biomass with coal can be achieved with minimum modification of existing coal-fired boilers.

  10. Energy Conversion Alternatives Study (ECAS), General Electric Phase 1. Volume 1: Executive summary. [using coal or coal derived fuels

    Science.gov (United States)

    Corman, J. C.

    1976-01-01

    A data base for the comparison of advanced energy conversion systems for utility applications using coal or coal-derived fuels was developed. Estimates of power plant performance (efficiency), capital cost, cost of electricity, natural resource requirements, and environmental intrusion characteristics were made for ten advanced conversion systems. Emphasis was on the energy conversion system in the context of a base loaded utility power plant. All power plant concepts were premised on meeting emission standard requirements. A steam power plant (3500 psig, 1000 F) with a conventional coal-burning furnace-boiler was analyzed as a basis for comparison. Combined cycle gas/steam turbine system results indicated competitive efficiency and a lower cost of electricity compared to the reference steam plant. The Open-Cycle MHD system results indicated the potential for significantly higher efficiency than the reference steam plant but with a higher cost of electricity.

  11. Optimized Production of Coal Fly Ash Derived Synthetic Zeolites for Mercury Removal from Wastewater

    Science.gov (United States)

    Tauanov, Z.; Shah, D.; Itskos, G.; Inglezakis, V.

    2017-09-01

    Coal fly ash (CFA) derived synthetic zeolites have become popular with recent advances and its ever-expanding range of applications, particularly as an adsorbent for water and gas purification and as a binder or additive in the construction industry and agriculture. Among these applications, perpetual interest has been in utilization of CFA derived synthetic zeolites for removal of heavy metals from wastewater. We herein focus on utilization of locally available CFA for efficient adsorption of mercury from wastewater. To this end, experimental conditions were investigated so that to produce synthetic zeolites from Kazakhstani CFAs with conversion into zeolite up to 78%, which has remarkably high magnetite content. In particular, the effect of synthesis reaction temperature, reaction time, and loading of adsorbent were systematically investigated and optimized. All produced synthetic zeolites and the respective CFAs were characterized using XRD, XRF, PSA and porosimetric instruments to obtain microstructural and mineralogical data. Furthermore, the synthesized zeolites were studied for the removal of mercury from aqueous solutions. A comparison of removal eficiency and its relationship to the physical and chemical properties of the synthetic zeolites were analyzed and interpreted.

  12. Liquefaction and desulfurization of coal using synthesis gas

    Science.gov (United States)

    Fu, Yuan C.

    1977-03-08

    A process for desulfurizing and liquefying coal by heating said coal at a temperature of 375.degree.-475.degree. C in the presence of a slurry liquid, hydrogen, carbon monoxide, steam, and a catalyst comprising a desulfurization catalyst and an alkali metal salt.

  13. Phase transformations in synthesis technologies and sorption properties of zeolites from coal fly ash

    Directory of Open Access Journals (Sweden)

    О. Б. Котова

    2016-08-01

    Full Text Available Coal fly ash is generated in the course of combustion of coal at thermal power plants. Environmental problems increase sharply without disposing that industrial waste. Technologies were tested of hydrothermal synthesis of zeolites from fly ash forming during combustion of coal at thermal power plants of the Pechora coal basin and dependences were identified of the experiment conditions on physical and chemical properties of the end product. It is demonstrated that synthesizing zeolites from fly ash is the first stage of forming ceramic materials (ceramic membranes, which defines the fundamental character (importance of that area of studies. It was for the first time that sorption and structural characteristics and cation-exchange properties of fly ash from the Pechora basin coals were studied with respect to, Ba2+ and Sr2+.

  14. Modified Two-Step Dimethyl Ether (DME Synthesis Simulation from Indonesian Brown Coal

    Directory of Open Access Journals (Sweden)

    Dwiwahju Sasongko

    2016-08-01

    Full Text Available A theoretical study was conducted to investigate the performance of dimethyl ether (DME synthesis from coal. This paper presents a model for two-step DME synthesis from brown coal represented by the following processes: drying, gasification, water-gas reaction, acid gas removal, and DME synthesis reactions. The results of the simulation suggest that a feedstock ratio of coal : oxygen : steam of 1 : 0.13 : 0.821 produces the highest DME concentration. The water-gas reactor simulation at a temperature of 400°C and a pressure of 20 bar gave the ratio of H2/CO closest to 2, the optimal value for two-step DME synthesis. As for the DME synthesis reactor simulation, high pressure and low temperature promote a high DME concentration. It is predicted that a temperature of 300°C and a pressure of 140 bar are the optimum conditions for the DME synthesis reaction. This study also showed that the DME concentration produced by the two-step route is higher than that produced by one-step DME synthesis, implying that further improvement and research are needed to apply two-step DME synthesis to production of this liquid fuel.

  15. Synthesis of acetylenic derivatives of hydroxynaphthoquinone

    International Nuclear Information System (INIS)

    Sanchez Kopper, Andres

    2010-01-01

    The acetylene derivatives synthesis 2-hydroxy-1 ,4-naphthoquinones was studied using different reaction conditions: coupling with copper and silver acetylides, Sonogashira reaction with and without CU (I) as cocatalyst. The reaction conditions are optimized for coupling of iodine lawson and ylide phenyl lawsone of iodine with various terminal acetylenes: phenyl acetylene, propargyl alcohol, 1-heptin and 2-methyl-3-butyne-2-ol. Also, reactants such as bromides of hidroxinaphthoquinones were used with protecting groups such as acetate, methoxy, phenyloxy, benzyloxy and tricloroetoxy. The synthesis of 2-hydroxy-3-(3-hydroxy-3-ynyl-1-methylbutane)-1,4-naphthoquinone, 2-methoxy-3-(2-phenylethynyl) -1,4-naphthoquinone and 2-(2-phenylethynyl)-3-(2,2,2-tricloroetoxy)-1,4-naphthoquinone was performed with rates of return of 22%, 57% and 67% respectively. The reaction of the yodolawsona was obtained with 3-chloro-3-methyl-1-butyne in the presence of CuI, CsI and Cs 2 Co 3 obtaining the enol ether: 3,3-dimethyl-2-methyl-2 ,3-dihydronaphto [2 ,3-b]furan-4,9-dione (dehydro-α-dunion), with a rate of return of 58%. This enol ether was used as a reactant for the formation, through a regioselective hydrogenation with PtO 2 /t-butanol of α-dunion with a yield of 50%. Furthermore, by acid hydrolysis with H 2 SO 4 has been possible to obtain a percentage yield of 75% streptocarpone. Both, α-dunion and streptocarpone, natural products extracted from Streptocarpus dunni shrub, with antiparasitic activity, and which so far had not presented an efficient synthesis. A mechanism is proposed for the reaction of formation of the enol ether where it is presumed the presence of a zwitterion-vinyl carbene as key intermediate of the reaction. All products were characterized by spectroscopy 1 H and 13 C-NMR, UV-Vis and IR. (author) [es

  16. Comparison of coal/solid recovered fuel (SRF) with coal/refuse derived fuel (RDF) in a fluidised bed reactor

    International Nuclear Information System (INIS)

    Wagland, S.T.; Kilgallon, P.; Coveney, R.; Garg, A.; Smith, R.; Longhurst, P.J.; Pollard, S.J.T.; Simms, N.

    2011-01-01

    An experimental study was undertaken to compare the differences between municipal solid waste (MSW) derived solid recovered fuel (SRF) (complying with CEN standards) and refuse derived fuel (RDF). Both fuels were co-combusted with coal in a 50 kW fluidised bed combustor and the metal emissions were compared. Synthetic SRF was prepared in the laboratory by grinding major constituents of MSW such as paper, plastic, textile and wood. RDF was obtained from a local mechanical treatment plant. Heavy metal emissions in flue gas and ash samples from the (coal + 10% SRF) fuel mixture were found to be within the acceptable range and were generally lower than that obtained for coal + 10% RDF fuel mixture. The relative distribution of heavy metals in ash components and the flue gas stream shows the presence of a large fraction (up to 98%) of most of the metals in the ash (except Hg and As). Thermo-gravimetric (TG) analysis of SRF constituents was performed to understand the behaviour of fuel mixtures in the absence and presence of air. The results obtained from the experimental study will enhance the confidence of fuel users towards using MSW-derived SRF as an alternative fuel.

  17. Fluidized bed combustion of refuse-derived fuel in presence of protective coal ash

    Energy Technology Data Exchange (ETDEWEB)

    Ferrer, Eduardo [CIRCE, Universidad de Zaragoza, Maria de Luna, 3, Zaragoza (Spain); Aho, Martti [VTT Processes, P.O. Box 1603, 40101 Jyvaeskylae (Finland); Silvennoinen, Jaani; Nurminen, Riku-Ville [Kvaerner Power, P.O.Box 109, FIN-33101 Tampere (Finland)

    2005-12-15

    Combustion of refuse-derived fuel (RDF) alone or together with other biomass leads to superheater fouling and corrosion in efficient power plants (with high steam values) due to vaporization and condensation of alkali chlorides. In this study, means were found to raise the portion of RDF to 40% enb without risk to boilers. This was done by co-firing RDF with coal and optimizing coal quality. Free aluminum silicate in coal captured alkalies from vaporized alkali chlorides preventing Cl condensation to superheaters. Strong fouling and corrosion were simultaneously averted. Results from 100 kW and 4 MW CFB reactors are reported. (author)

  18. Coal

    International Nuclear Information System (INIS)

    Teissie, J.; Bourgogne, D. de; Bautin, F.

    2001-12-01

    Coal world production represents 3.5 billions of tons, plus 900 millions of tons of lignite. 50% of coal is used for power generation, 16% by steel making industry, 5% by cement plants, and 29% for space heating and by other industries like carbo-chemistry. Coal reserves are enormous, about 1000 billions of tons (i.e. 250 years of consumption with the present day rate) but their exploitation will be in competition with less costly and less polluting energy sources. This documents treats of all aspects of coal: origin, composition, calorific value, classification, resources, reserves, production, international trade, sectoral consumption, cost, retail price, safety aspects of coal mining, environmental impacts (solid and gaseous effluents), different technologies of coal-fired power plants and their relative efficiency, alternative solutions for the recovery of coal energy (fuel cells, liquefaction). (J.S.)

  19. Chemistry and structure of coal derived asphaltenes and preasphaltenes. Quarterly progress report, April-June 1980

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T. F.

    1980-01-01

    It is the objective of this project to isolate the asphaltene and preasphaltene fractions from coal liquids from a number of liquefaction processes. These processes consist of in general: catalytic hydrogenation, staged pyrolysis and solvent refining. These asphaltene fractions may be further separated by both gradient elution through column chromatography, and molecular size distribution through gel permeation chromatography. Those coal-derived asphaltene and preasphaltene fractions will be investigated by various chemical and physical methods for characterization of their structures. After the parameters are obtained, these parameters will be correlated with the refining and conversion variables which control a given type of liquefaction process. The effects of asphaltene in catalysis, ash or metal removal, desulfurization and denitrification will also be correlated. It is anticipated that understanding the role of asphaltenes in liquefaction processes will enable engineers to both improve existing processes, and to make recommendations for operational changes in planned liquefaction units in the United States. The objective of Phase 1 was to complete the isolation and separation of coal liquid fractions and to initiate their characterization. The objective of Phase 2 is to continue the characterization of coal asphaltenes and other coal liquid fractions by use of physical and instrumental methods. The structural parameters obtained will be used to postulate hypothetical average structures for coal liquid fractions. The objective of Phase 3 is to concentrate on the characterization of the preasphaltene (benzene insoluble fraction) of coal liquid fraction by the available physical and chemical methods to obtain a number of structural parameters.

  20. Innovation avenues for coal derived power essential for the future

    Energy Technology Data Exchange (ETDEWEB)

    Berkley, Mark; Cruz, Elizabet; Vatanakul, Maytinee; Hynes, Rory; Stickler, Alexander

    2010-09-15

    Current political climates are culminating in the conflict between economic development and environmental regulation -- Climate Change. Developed nations are driven by and dependent upon the cheap, abundant power of coal. Today, developing nations wish to duplicate this historical pathway, yet are subject to global scrutiny. The politico-economic conflict between nations may be alleviated by innovative technologies delivering power and improved environmental considerations. The long-term economic trend has been upward and thus targeting expanding and converting existing economies to utilize innovative technologies is fundamental to addressing the balance between socio-economic and environmental interests.

  1. Upgrading including heteroatom removal from Victorian brown coal-derived liquids

    Energy Technology Data Exchange (ETDEWEB)

    Larkins, F.P.; Youings, J.C.; Jackson, W.R.; Park, D. (University of Tasmania, Hobart, Tasmania (Australia))

    1989-10-01

    It has been shown using model compounds that the hydrodeoxygenation performance of a catalyst is severely inhibited by the presence of nitrogen-containing compounds under conditions of moderate reaction severity. For a low molecular weight coal-derived liquid commercial catalysts were effective for HDO and HDN at 400{degree}C, 10 MPa H{sub 2} for 30 min reaction time. For a coal-derived liquid high in asphaltene commercial catalysts and others prepared and tested in this study were ineffective. Alternative catalysts and hydrotreating conditions of greater severity will be required for such materials to effect acceptable heteroatom removal. 3 refs., 2 figs., 2 tabs.

  2. DEVELOPMENT OF CONTINUOUS SOLVENT EXTRACTION PROCESSES FOR COAL DERIVED CARBON PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Dady B. Dadyburjor; Mark E. Heavner; Manoj Katakdaunde; Liviu Magean; J. Joshua Maybury; Alfred H. Stiller; Joseph M. Stoffa; John W. Zondlo

    2006-08-01

    The purpose of this DOE-funded effort is to develop continuous processes for solvent extraction of coal for the production of carbon products. The largest applications are those which support metals smelting, such as anodes for aluminum smelting and electrodes for arc furnaces. Other carbon products include materials used in creating fuels for the Direct Carbon Fuel Cell, and porous carbon structural material referred to as ''carbon foam'' and carbon fibers. During this reporting period, hydrotreatment of solvent was completed in preparation for pitch fabrication for graphite electrodes. Coal digestion has lagged but is expected to be complete by next quarter. Studies are reported on coal dissolution, pitch production, foam synthesis using physical blowing agents, and alternate coking techniques.

  3. Synthesis of hydrocarbons using coal and nuclear process heat

    International Nuclear Information System (INIS)

    Eickhoff, H.G.; Kugeler, K.

    1975-01-01

    An analysis of the global petroleum resources and demand shows that the amount of mineral oil products is sufficient to meet the requirements of the next decades. The geographical resources, however, could lead to problems of distribution and foreign exchange. The production of hydrocarbons with coal as basis using high temperature nuclear process heat has advantages compared to the conventional techniques. Next to the conservation of reserve fossil primary energy carriers there are advantages as regards prices, which at high coal costs are especially pronounced. (orig.) [de

  4. Synthesis of New Imidazolidine and Tetrahydropyrimidine Derivatives

    Directory of Open Access Journals (Sweden)

    Hamid Beyzaei

    2014-01-01

    Full Text Available Synthesis of new imidazolidine and tetrahydropyrimidine derivatives 3a, b and 4a–c as cyclic 1,3-diamines under two reaction conditions (A and B is described. Under reaction conditions-A, a suspension of (E-2-cyano-2-(oxazolidin-2-ylideneethanethioamide 1 (1 eq. and diaminoalkanes 2a–e (2 eq. in absolute ethanol is heated under reflux for 16–22 h to afford 3a, b and 4a–c. Alternatively, under reaction conditions-B, a solution of thioamide 1 (1 eq. in diaminoalkanes 2a–e (3 eq. is stirred under solvent-free conditions at room temperature for 3 days to give desired products. Reaction conditions-A for having higher yields, shorter reaction times, and required less diamines is more effective than reaction conditions-B. Oxazolidine ring opening is observed by reacting compound 1 with all of the diamines 2a–e, but the thioamide group only reacts with nonbulky diamines 2a, b. The chemical structures of novel compounds were confirmed by 1H NMR, 13C NMR, elemental analysis, and FT-IR spectrometry.

  5. Air extraction in gas turbines burning coal-derived gas

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Tah-teh; Agrawal, A.K.; Kapat, J.S.

    1993-11-01

    In the first phase of this contracted research, a comprehensive investigation was performed. Principally, the effort was directed to identify the technical barriers which might exist in integrating the air-blown coal gasification process with a hot gas cleanup scheme and the state-of-the-art, US made, heavy-frame gas turbine. The guiding rule of the integration is to keep the compressor and the expander unchanged if possible. Because of the low-heat content of coal gas and of the need to accommodate air extraction, the combustor and perhaps, the flow region between the compressor exit and the expander inlet might need to be modified. In selecting a compressed air extraction scheme, one must consider how the scheme affects the air supply to the hot section of the turbine and the total pressure loss in the flow region. Air extraction must preserve effective cooling of the hot components, such as the transition pieces. It must also ensure proper air/fuel mixing in the combustor, hence the combustor exit pattern factor. The overall thermal efficiency of the power plant can be increased by minimizing the total pressure loss in the diffusers associated with the air extraction. Therefore, a study of airflow in the pre- and dump-diffusers with and without air extraction would provide information crucial to attaining high-thermal efficiency and to preventing hot spots. The research group at Clemson University suggested using a Griffith diffuser for the prediffuser and extracting air from the diffuser inlet. The present research establishes that the analytically identified problems in the impingement cooling flow are factual. This phase of the contracted research substantiates experimentally the advantage of using the Griffith diffuser with air extraction at the diffuser inlet.

  6. Degradation and stabilization of coal derived liquid. (IV). ; Effect of alcohol on coloration of coal derived light oil. Sekitan ekikayu no anteika. (IV). ; Sekitan ekikayu no chakushoku yokusei ni oyobosu alcohol no tenka koka

    Energy Technology Data Exchange (ETDEWEB)

    Ukegawa, K.; Matsumura, A.; Kondo, T. (National Research Institute for Pollution and Resources, Tsukuba (Japan)); TAhara, N. (Nitto Denko Corp., Osaka (Japan)); Nakamura, E. (New Energy and Industrial Technology Development Organization, Tokyo (Japan)); Niki, E. (The University of Tokyo, Tokyo (Japan). Research Center for ADvanced Science and Technology)

    1990-01-20

    In order to improve the color stability of a coal derived light oil, the effect of hydrotreating and various additives has been studied. The color stability has been evaluated through measuring changes in absorbance by flow-cell spectrophotometer. Following results have been obtained: The color stabilities of hydrotreated coal derived light oils were improved remarkably with increasing hydrotreating temperature and pressure. Mild hydrotreating made the color stability of the coal derived light oil much better than the fuel oil, even though the nitrogen removal was very small. Phenolic compounds additives could not improve the color stability of the coal derived light oil. Alcohol, especially methanol, made the coloration rate of the coal derived light oil small to a great extent, on account of hydrogen bonding between methanol and nitrogen compounds in the fuel oil. 4 refs., 4 figs., 3 tabs.

  7. Synthesis of rearranged unsaturated drimane derivatives

    Directory of Open Access Journals (Sweden)

    Miranda Domingos S. de

    2001-01-01

    Full Text Available A full account to the preparation and application of three appropriately substituted vinylcyclohexenes (2,2-dimethyl-3-vinylcyclohex-3-en-1-ol, 2,2-dimethyl-3-vinylcyclohex-3-en-1-one and 3,3-dimethyl-2-vinylcyclohexene in thermal Diels-Alder reactions with alpha,beta-unsaturated esters (methyl tiglate and methyl angelate is given. This approach delivered the racemic synthesis of ten octalin derivatives bearing a rearranged drimane skeleton (4 diastereomers of 1-methoxycarbonyl-6-hydroxy-1,2,5,5-tetramethyl-1,2,3,5,6,7, 8,8a-octahydronaphthalene; 1-methoxycarbonyl-6-oxo-1,2,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalene; 2-methoxycarbonyl-6-oxo-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene; 3 diastereomers of 1-methoxycarbonyl-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene and 2-methoxycarbonyl-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene . Central synthetic features included preparation of enoltriflates by Stang's protocol and the successful palladium-catalyzed cross-coupling reaction (Stille reaction of the triflate with the tri-n-butylvinylstannane. The octalins relative stereochemistry was unequivocally ascertained by spectroscopic methods and/or X-ray crystallography and these data now stand as useful tools to support the correct assignment of related natural products usually isolated in minute amounts.

  8. Primary migration of Jurassic coal-derived oil in Santanghu basin

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, W.; Zhong, N.; Ren, D. [China University of Mining and Technology, Beijing (China). Dept of Resource Exploitation Engineering

    2000-11-01

    It is known that the differential evolution of the multiple macerals results in 'oil generation by stage', and that 'early generation, early expulsion' is one of the preconditions for the efficient accumulation of the coal-derived oil. Based upon the study on the evolution of the physical properties, related to the hydrocarbon expulsion, of the Jurassic organic rock in Santanghu basin during the course of maturation, the mechanism of the primary migration of its coal-derived oil was discussed. The rapid loss of the inherent moisture in the organic rock was not accordant with the main generation stage of the coal-derived oil, so it was unrealistic that the oil migrated by dissolution in the expelled water. It is thought that the special forming mechanism of the continuous 'bitumen network' under the condition of over-pressure and an earlier history of primary migration may be essential to the Jurassic coal-derived oil in Santanghu basin. 17 refs., 4 figs.

  9. Newer methods for the characterization of higher molecular mass coal derivatives

    International Nuclear Information System (INIS)

    Bartle, K.D.

    1983-01-01

    Recent developments in a number of areas in the analytical chemistry of higher molecular mass coal derivatives are critically reviewed, viz. supercritical fluid chromatography, size-exclusion chromatography, charge-transfer fractionation, nmr spectroscopy, mass spectrometry and electrochemical analysis. (orig.) [de

  10. Potential for Coal-to-Liquids Conversion in the United States-Fischer-Tropsch Synthesis

    International Nuclear Information System (INIS)

    Patzek, Tad W.; Croft, Gregory D.

    2009-01-01

    The United States has the world's largest coal reserves and Montana the highest potential for mega-mine development. Consequently, a large-scale effort to convert coal to liquids (CTL) has been proposed to create a major source of domestic transportation fuels from coal, and some prominent Montanans want to be at the center of that effort. We calculate that the energy efficiency of the best existing Fischer-Tropsch (FT) process applied to average coal in Montana is less than 1/2 of the corresponding efficiency of an average crude oil refining process. The resulting CO 2 emissions are 20 times (2000%) higher for CTL than for conventional petroleum products. One barrel of the FT fuel requires roughly 800 kg of coal and 800 kg of water. The minimum energy cost of subsurface CO 2 sequestration would be at least 40% of the FT fuel energy, essentially halving energy efficiency of the process. We argue therefore that CTL conversion is not the most valuable use for the coal, nor will it ever be, as long as it is economical to use natural gas for electric power generation. This finding results from the low efficiency inherent in FT synthesis, and is independent of the monumental FT plant construction costs, mine construction costs, acute lack of water, and the associated environmental impacts for Montana

  11. SHORT COMMUNICATION SYNTHESIS OF AZIDO DERIVATIVES ...

    African Journals Online (AJOL)

    Preferred Customer

    Department of Chemistry & Chemical Technology, Faculty of Science, Engineering & ... substitution reactions with various nucleophiles, including azides and ... readily available substrate for the synthesis of an array of chemical compounds.

  12. Solventless Synthesis of Quinoline Derivatives: Acceleration of ...

    African Journals Online (AJOL)

    NICO

    bKermanshah Oil Refining Company, Kermanshah, Iran. Received 25 October ... formation of polymers that combine enhanced electronic, opto- electronic, or ..... 960/85. Long reaction time, difficulties in the catalyst synthesis and. 41 recovery.

  13. Synthesis and electronic aspects of tetrahydrobenzothienopyrimidine derivatives

    Science.gov (United States)

    Gajda, Katarzyna; Astakhina, Valeriia; Ejsmont, Krzysztof; Kolomeitsev, Dmytro; Kovalenko, Sergiy; Zarychta, Bartosz

    2015-03-01

    The chemistry of thiophenes, pyrimidines, triazolopyrimidines and benzothiophenes has drawn much attention because of their biological activities. Their interesting properties are connected with their complex π-electron delocalisation effects. Herein the synthesis, crystal and molecular structures at 100 K and DFT calculated structures of three tetrahydrobenzothienopyrimidine derivatives are reported i.e. 4-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine which was a substrate for 2-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and 3-methyl-9,10,11,12-tetrahydro-2H-[1]benzothieno[2‧,3‧:4,5]pyrimido[1,6-b][1,2,4]triazin-2-one. Moreover the influence of the substituents, polycyclic structure and crystal packing and on the aromaticity of the fused heterocyclic rings have been also discussed. The 4-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is a promising substrate for a number of different reactions and discovering novel biologically active heterocycles. All three molecules are planar except of the tetrahydrobenzene part, which shows normal conformation. In crystals the molecules are connected to each other by C-H⋯N, N-H⋯N, C-H⋯S and S⋯π contacts. The geometry of common core in all structures is similar and typical for this class of compounds. The aromaticity of the fused heteroaromatic systems has been investigated by means of the HOMA indices. The discrepancy between values of HOMA for isolated monocyclic compounds and studied molecules from crystal structure shows destabilization of aromaticity when the rings are fused in a larger heterocyclic systems. The thiophene part of the molecule is far more sensitive on the influence of both mesomeric effects in polycyclic system and molecular environment in solid-state than pyrimidine ring. The presence of intermolecular interactions was confirmed by Hirshfeld area analysis.

  14. Production and Optimization of Direct Coal Liquefaction derived Low Carbon-Footprint Transportation Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Steven Markovich

    2010-06-30

    This report summarizes works conducted under DOE Contract No. DE-FC26-05NT42448. The work scope was divided into two categories - (a) experimental program to pretreat and refine a coal derived syncrude sample to meet transportation fuels requirements; (b) system analysis of a commercial scale direct coal liquefaction facility. The coal syncrude was derived from a bituminous coal by Headwaters CTL, while the refining study was carried out under a subcontract to Axens North America. The system analysis included H{sub 2} production cost via six different options, conceptual process design, utilities requirements, CO{sub 2} emission and overall plant economy. As part of the system analysis, impact of various H{sub 2} production options was evaluated. For consistence the comparison was carried out using the DOE H2A model. However, assumptions in the model were updated using Headwaters database. Results of Tier 2 jet fuel specifications evaluation by the Fuels & Energy Branch, US Air Force Research Laboratory (AFRL/RZPF) located at Wright Patterson Air Force Base (Ohio) are also discussed in this report.

  15. COAL DERIVED MATRIX PITCHES FOR CARBON-CARBON COMPOSITE MANUFACTURE/PRODUCTION OF FIBERS AND COMPOSITES FROM COAL-BASED PRECURSORS

    Energy Technology Data Exchange (ETDEWEB)

    Peter G. Stansberry; John W. Zondlo

    2001-07-01

    The Consortium for premium Carbon Products from Coal, with funding from the US Department of Energy, National Energy Technology Laboratory continue with the development of innovative technologies that will allow coal or coal-derived feedstocks to be used in the production of value-added carbon materials. In addition to supporting eleven independent projects during budget period 3, three meetings were held at two separate locations for the membership. The first was held at Nemacolin Woodlands Resort on May 15-16, 2000. This was followed by two meetings at Penn State, a tutorial on August 11, 2000 and a technical progress meeting on October 26-27.

  16. Efficient synthesis of phosphonodepsipeptides derived from norleucine

    Czech Academy of Sciences Publication Activity Database

    Pícha, Jan; Buděšínský, Miloš; Hančlová, Ivona; Šanda, Miloslav; Fiedler, Pavel; Vaněk, Václav; Jiráček, Jiří

    2009-01-01

    Roč. 65, č. 31 (2009), s. 6090-6103 ISSN 0040-4020 R&D Projects: GA ČR GA203/06/1405; GA MŠk(CZ) LC06077 Institutional research plan: CEZ:AV0Z40550506 Keywords : phosphonate * pseudopeptide * inhibitor * synthesis * norleucine Subject RIV: CC - Organic Chemistry Impact factor: 3.219, year: 2009

  17. Synthesis of geopolymer from biomass-coal ash blends

    Science.gov (United States)

    Samadhi, Tjokorde Walmiki; Wulandari, Winny; Prasetyo, Muhammad Iqbal; Fernando, Muhammad Rizki; Purbasari, Aprilina

    2017-09-01

    Geopolymer is an environmentally attractive Portland cement substitute, owing to its lower carbon footprint and its ability to consume various aluminosilicate waste materials as its precursors. This work describes the development of geopolymer formulation based on biomass-coal ash blends, which is predicted to be the prevalent type of waste when biomass-based thermal energy production becomes mainstream in Indonesia. The ash blends contain an ASTM Class F coal fly ash (FA), rice husk ash (RHA), and coconut shell ash (CSA). A mixture of Na2SiO3 and concentrated KOH is used as the activator solution. A preliminary experiment identified the appropriate activator/ash mass ratio to be 2.0, while the activator Na2SiO3/KOH ratio varies from 0.8 to 2.0 with increasing ash blend Si/Al ratio. Both non-blended FA and CSA are able to produce geopolymer mortars with 7-day compressive strength exceeding the Indonesian national SNI 15-2049-2004 standard minimum value of 2.0 MPa stipulated for Portland cement mortars. Ash blends have to be formulated with a maximum RHA content of approximately 50 %-mass to yield satisfactory 7-day strength. No optimum ash blend composition is identified within the simplex ternary ash blend compositional region. The strength decreases with Si/Al ratio of the ash blends due to increasing amount of unreacted silicate raw materials at the end of the geopolymer hardening period. Overall, it is confirmed that CSA and blended RHA are feasible raw materials for geopolymer production..

  18. Design of generic coal conversion facilities: Indirect coal liquefaction, Fischer-Tropsch synthesis

    Energy Technology Data Exchange (ETDEWEB)

    1991-10-01

    A comprehensive review of Fischer-Tropsch (F-T) technology, including fixed, fluidized, and bubble column reactors, was undertaken in order to develop an information base before initiating the design of the Fischer-Tropsch indirect liquefaction PDU as a part of the Generic Coal Conversion Facilities to be built at the Pittsburgh Energy Technology Center (PETC). The pilot plant will include a fixed bed and slurry bubble column reactor for the F-T mode of operation. The review encompasses current status of both these technologies, their key variables, catalyst development, future directions, and potential improvement areas. However, more emphasis has been placed on the slurry bubble column reactor since this route is likely to be the preferred technology for commercialization, offering process advantages and, therefore, better economics than fixed and fluidized bed approaches.

  19. Characterization of coal-derived hydrocarbons and source-rock potential of coal beds, San Juan Basin, New Mexico and Colorado, U.S.A.

    Science.gov (United States)

    Rice, D.D.; Clayton, J.L.; Pawlewicz, M.J.

    1989-01-01

    .5 ppt), are chemically wetter (C1/C1-5 values range from 0.85 to 0.95), and contain less CO2 (< 2%). These gases are interpreted to have been derived from type III kerogen dispersed in marine shales of the underlying Lewis Shale and nonmarine shales of the Fruitland Formation. In the underlying Upper Cretaceous Dakota Sandstone and Tocito Sandstone Lentil of the Mancos Shale, another gas type is produced. This gas is associated with oil at intermediate stages of thermal maturity and is isotopically lighter and chemically wetter at the intermediate stage of thermal maturity as compared with gases derived from dispersed type III kerogen and coal; this gas type is interpreted to have been generated from type II kerogen. Organic matter contained in coal beds and carbonaceous shales of the Fruitland Formation has hydrogen indexes from Rock-Eval pyrolysis between 100 and 350, and atomic H:C ratios between 0.8 and 1.2. Oxygen indexes and atomic O:C values are less than 24 and 0.3, respectively. Extractable hydrocarbon yields are as high as 7,000 ppm. These values indicate that the coal beds and carbonaceous shales have good potential for the generation of liquid hydrocarbons. Voids in the coal filled with a fluorescent material that is probably bitumen is evidence that liquid hydrocarbon generation has taken place. Preliminary oil-source rock correlations based on gas chromatography and stable carbon isotope ratios of C15+ hydrocarbons indicate that the coals and (or) carbonaceous shales in the Fruitland Formation may be the source of minor amounts of condensate produced from the coal beds at relatively low levelsof thermal maturity (Rm=0.7). ?? 1989.

  20. Synthesis and Cytotoxicity of Novel Hexahydrothienocycloheptapyridazinone Derivatives

    Directory of Open Access Journals (Sweden)

    Irene Marchesi

    2009-09-01

    Full Text Available Designed as a new group of tricyclic molecules containing the thienocycloheptapyridazinone ring system, a number of 2N-substituted-hexahydrothienocycloheptapyridazinone derivatives were synthesized and their biological activity evaluated. Among the synthesized compounds, derivatives 7d and 7h were found to possess cytotoxic activity against non-small cell lung cancer and central nervous system cancer cell lines, respectively.

  1. Intrinsic and extrinsic defects in a family of coal-derived graphene quantum dots

    Science.gov (United States)

    Singamaneni, Srinivasa Rao; van Tol, Johan; Ye, Ruquan; Tour, James M.

    2015-11-01

    In this letter, we report on the high frequency (239.2 and 336 GHz) electron spin resonance (ESR) studies performed on graphene quantum dots (GQDs), prepared through a wet chemistry route from three types of coal: (a) bituminous, (b) anthracite, and (c) coke; and from non-coal derived GQDs. The microwave frequency-, power-, and temperature-dependent ESR spectra coupled with computer-aided simulations reveal four distinct magnetic defect centers. In bituminous- and anthracite-derived GQDs, we have identified two of them as intrinsic carbon-centered magnetic defect centers (a broad signal of peak to peak width = 697 (10-4 T), g = 2.0023; and a narrow signal of peak to peak width = 60 (10-4 T), g = 2.003). The third defect center is Mn2+ (6S5/2, 3d5) (signal width = 61 (10-4 T), g = 2.0023, Aiso = 93(10-4 T)), and the fourth defect is identified as Cu2+ (2D5/2, 3d9) (g⊥ = 2.048 and g‖ = 2.279), previously undetected. Coke-derived and non-coal derived GQDs show Mn2+ and two-carbon related signals, and no Cu2+ signal. The extrinsic impurities most likely originate from the starting coal. Furthermore, Raman, photoluminescence, and ESR measurements detected no noticeable changes in the properties of the bituminous GQDs after one year. This study highlights the importance of employing high frequency ESR spectroscopy in identifying the (magnetic) defects, which are roadblocks for spin relaxation times of graphene-based materials. These defects would not have been possible to probe by other spin transport measurements.

  2. Forty years of the Weglopochodne Enterprise for Sale of Coal-Derived Products

    Energy Technology Data Exchange (ETDEWEB)

    Pinkowski, Z.

    1986-02-01

    Organizational structure of trade in coal-derived products in Poland from 1945 to 1985 is discussed. Fluctuations of organizational structures reflecting phases of centralization and decentralization of the national economy are analyzed. Coordinating role of the Weglopochodne Enterprise in the coking and chemical industries is stressed. Types of products produced by coking plants in Poland, trade and exports are discussed. Effects of organizational structures on development of coking plants are also discussed (increasing wear of coking plants, insufficient investment etc.). 3 references.

  3. Effects of coal-derived trace species on performance of molten carbonate fuel cells. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1992-05-01

    The Carbonate Fuel Cell is a very promising option for highly efficient generation of electricity from many fuels. If coal-gas is to be used, the interactions of coal-derived impurities on various fuel cell components need to be understood. Thus the effects on Carbonate Fuel Cell performance due to ten different coal-derived contaminants viz., NH{sub 3}, H{sub 2}S, HC{ell}, H{sub 2}Se, AsH{sub 3}, Zn, Pb, Cd, Sn, and Hg, have been studied at Energy Research Corporation. Both experimental and theoretical evaluations were performed, which have led to mechanistic insights and initial estimation of qualitative tolerance levels for each species individually and in combination with other species. The focus of this study was to investigate possible coal-gas contaminant effects on the anode side of the Carbonate Fuel Cell, using both out-of-cell thermogravimetric analysis by isothermal TGA, and fuel cell testing in bench-scale cells. Separate experiments detailing performance decay in these cells with high levels of ammonia contamination (1 vol %) and with trace levels of Cd, Hg, and Sn, have indicated that, on the whole, these elements do not affect carbonate fuel cell performance. However, some performance decay may result when a number of the other six species are present, singly or simultaneously, as contaminants in fuel gas. In all cases, tolerance levels have been estimated for each of the 10 species and preliminary models have been developed for six of them. At this stage the models are limited to isothermal, benchscale (300 cm{sup 2} size) single cells. The information obtained is expected to assist in the development of coal-gas cleanup systems, while the contaminant performance effects data will provide useful basic information for modeling fuel cell endurance in conjunction with integrated gasifier/fuel-cell systems (IGFC).

  4. Effects of coal-derived trace species on performance of molten carbonate fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    1992-05-01

    The Carbonate Fuel Cell is a very promising option for highly efficient generation of electricity from many fuels. If coal-gas is to be used, the interactions of coal-derived impurities on various fuel cell components need to be understood. Thus the effects on Carbonate Fuel Cell performance due to ten different coal-derived contaminants viz., NH{sub 3}, H{sub 2}S, HC{ell}, H{sub 2}Se, AsH{sub 3}, Zn, Pb, Cd, Sn, and Hg, have been studied at Energy Research Corporation. Both experimental and theoretical evaluations were performed, which have led to mechanistic insights and initial estimation of qualitative tolerance levels for each species individually and in combination with other species. The focus of this study was to investigate possible coal-gas contaminant effects on the anode side of the Carbonate Fuel Cell, using both out-of-cell thermogravimetric analysis by isothermal TGA, and fuel cell testing in bench-scale cells. Separate experiments detailing performance decay in these cells with high levels of ammonia contamination (1 vol %) and with trace levels of Cd, Hg, and Sn, have indicated that, on the whole, these elements do not affect carbonate fuel cell performance. However, some performance decay may result when a number of the other six species are present, singly or simultaneously, as contaminants in fuel gas. In all cases, tolerance levels have been estimated for each of the 10 species and preliminary models have been developed for six of them. At this stage the models are limited to isothermal, benchscale (300 cm{sup 2} size) single cells. The information obtained is expected to assist in the development of coal-gas cleanup systems, while the contaminant performance effects data will provide useful basic information for modeling fuel cell endurance in conjunction with integrated gasifier/fuel-cell systems (IGFC).

  5. Microwave-Assisted Synthesis of Phenothiazine and Quinoline Derivatives

    Science.gov (United States)

    Găină, Luiza; Cristea, Castelia; Moldovan, Claudia; Porumb, Dan; Surducan, Emanoil; Deleanu, Călin; Mahamoud, Abdalah; Barbe, Jacques; Silberg, Ioan A.

    2007-01-01

    Application of a dynamic microwave power system in the chemical synthesis of some phenothiazine and quinoline derivatives is described. Heterocyclic ring formation, aromatic nucleophilic substitution and heterocyclic aldehydes/ketones condensation reactions were performed on solid support, or under solvent free reaction conditions. The microwave-assisted Duff formylation of phenothiazine was achieved. Comparison of microwave-assisted synthesis with the conventional synthetic methods demonstrates advantages related to shorter reaction times and in some cases better reaction yields.

  6. Microwave-Assisted Synthesis of Phenothiazine and Qinoline Derivatives

    Directory of Open Access Journals (Sweden)

    Ioan A. Silberg

    2007-02-01

    Full Text Available Application of a dynamic microwave power system in the chemical synthesis ofsome phenothiazine and quinoline derivatives is described. Heterocyclic ring formation,aromatic nucleophilic substitution and heterocyclic aldehydes/ketones condensationreactions were performed on solid support, or under solvent free reaction conditions. Themicrowave-assisted Duff formylation of phenothiazine was achieved. Comparison ofmicrowave-assisted synthesis with the conventional synthetic methods demonstratesadvantages related to shorter reaction times and in some cases better reaction yields.

  7. SYNTHESIS OF SUBSTITUTED FLAVONE DERIVATIVES AS ...

    African Journals Online (AJOL)

    Preferred Customer

    Flavone (2-phenylchromone) derivatives are naturally occurring heterocyclic compound belongs to the flavanoid group. It showed significant role in pharmaceutical effects [1] including leishmanicidal activity, oviposter stimulant phytoalexins, anti-HIV, vasodilator, antiviral, anti- oxidants, bactericidal, DNA cleavage, ...

  8. Distributional Fate of Elements during the Synthesis of Zeolites from South African Coal Fly Ash

    Directory of Open Access Journals (Sweden)

    Pieter W. Du Plessis

    2014-04-01

    Full Text Available The synthesis of zeolites from South African coal fly ash has been deemed a viable solution to the growing economical strain caused by the disposal of ash in the country. Two synthesis routes have been studied thus far namely the 2-step method and the fusion assisted process. Fly ash contains several elements originating from coal which is incorporated in the ash during combustion. It is vital to determine the final destination of these elements in order to unveil optimization opportunities for scale-up purposes. The aim of this study was to perform a material balance study on both synthesis routes to determine the distributional fate of these elements during the synthesis of zeolites. Zeolites were first synthesized by means of the two synthesis routes. The composition of all raw materials and products were determined after which an overall and elemental balance were performed. Results indicated that in the 2-step method almost all elements were concentrated in the solid zeolite product while during the fusion assisted route the elements mostly report to the solid waste. Toxic elements such as Pb, Hg, Al, As and Nb were found in both the supernatant waste and washing water resulting from each synthesis route. It has also been seen that large quantities of Si and Al are wasted in the supernatant waste. It is highly recommended that the opportunity to recycle this liquid waste be investigated for scale-up purposes. Results also indicate that efficiency whereby Si and Al are extracted from fused ash is exceptionally poor and should be optimized.

  9. Catalytic Process for the Conversion of Coal-derived Syngas to Ethanol

    Energy Technology Data Exchange (ETDEWEB)

    James Spivery; Doug Harrison; John Earle; James Goodwin; David Bruce; Xunhau Mo; Walter Torres; Joe Allison Vis Viswanathan; Rick Sadok; Steve Overbury; Viviana Schwartz

    2011-07-29

    The catalytic conversion of coal-derived syngas to C{sub 2+} alcohols and oxygenates has attracted great attention due to their potential as chemical intermediates and fuel components. This is particularly true of ethanol, which can serve as a transportation fuel blending agent, as well as a hydrogen carrier. A thermodynamic analysis of CO hydrogenation to ethanol that does not allow for byproducts such as methane or methanol shows that the reaction: 2 CO + 4 H{sub 2} {yields} C{sub 2}H{sub 5}OH + H{sub 2}O is thermodynamically favorable at conditions of practical interest (e.g,30 bar, {approx}< 250 C). However, when methane is included in the equilibrium analysis, no ethanol is formed at any conditions even approximating those that would be industrially practical. This means that undesired products (primarily methane and/or CO{sub 2}) must be kinetically limited. This is the job of a catalyst. The mechanism of CO hydrogenation leading to ethanol is complex. The key step is the formation of the initial C-C bond. Catalysts that are selective for EtOH can be divided into four classes: (a) Rh-based catalysts, (b) promoted Cu catalysts, (c) modified Fischer-Tropsch catalysts, or (d) Mo-sulfides and phosphides. This project focuses on Rh- and Cu-based catalysts. The logic was that (a) Rh-based catalysts are clearly the most selective for EtOH (but these catalysts can be costly), and (b) Cu-based catalysts appear to be the most selective of the non-Rh catalysts (and are less costly). In addition, Pd-based catalysts were studied since Pd is known for catalyzing CO hydrogenation to produce methanol, similar to copper. Approach. The overall approach of this project was based on (a) computational catalysis to identify optimum surfaces for the selective conversion of syngas to ethanol; (b) synthesis of surfaces approaching these ideal atomic structures, (c) specialized characterization to determine the extent to which the actual catalyst has these structures, and (d) testing

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

    Energy Technology Data Exchange (ETDEWEB)

    Caroline E. Burgess Clifford; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2007-03-17

    hydrodesulfurization. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Combustion and characterization of the latest fuel oil (the high temperature fraction of RCO from the latest modification) indicates that the fraction is heavier than a No. 6 fuel oil. Combustion efficiency on our research boiler is {approx}63% for the heavy RCO fraction, lower than the combustion performance for previous co-coking fuel oils and No. 6 fuel oil. Emission testing indicates that the coal derived material has more trace metals related to coal than petroleum, as seen in previous runs. An additional coal has been procured and is being processed for the next series of delayed co-coking runs. The co-coking of the runs with the new coal have begun, with the coke yield similar to previous runs, but the gas yield is lower and the liquid yield is higher. Characterization of the products continues. Work continues on characterization of liquids and solids from co-coking of hydrotreated decant oils; liquid yields include more saturated and hydro- aromatics, while the coke quality varies depending on the conditions used. Pitch material is being generated from the heavy fraction of co-coking.

  11. Synthesis and Biological Evaluation of Resveratrol Derivatives as Melanogenesis Inhibitors

    Directory of Open Access Journals (Sweden)

    Qing Liu

    2015-09-01

    Full Text Available Resveratrol (1, a naturally occurring stilbene compound, has been suggested as a potential whitening agent with strong inhibitory activity on melanin synthesis. However, the use of resveratrol in cosmetics has been limited due to its chemical instability and poor bioavailability. Therefore, resveratrol derivatives were prepared to improve bioavailability and anti-melanogenesis activity. Nine resveratrol derivatives including five alkyl ether derivatives with C2H5, C4H9, C5H11, C6H13, and C8H17 (2a–2e and four ester derivatives with CH3, CH=C(CH32, CH(C2H5C4H9, C7H15 (3a–3d were newly synthesized and their effect on melanin synthesis were assessed. All the synthetic derivatives efficiently reduced the melanin content in α-MSH stimulated B16F10 melanoma cells. Further investigation showed that the inhibitory effect of 2a on melanin synthesis was achieved not by the inhibition of tyrosinase activity but by the inhibition of melanogenic enzyme expressions such as tyrosinase and tyrosinase-related protein (TRP-1. Our synthetic resveratrol derivatives have more lipophilic properties than resveratrol by the addition of alkyl or acyl chains to free hydroxyl moiety of resveratrol; thus, they are expected to show better bioavailability in skin application. Therefore, we suggest that our synthetic resveratrol derivatives might be promising candidates for better practical application to skin-whitening cosmetics.

  12. Synthesis and characterization of zeolite material from coal ashes modified by surfactant

    International Nuclear Information System (INIS)

    Fungaro, D.A.; Borrely, S.I.

    2010-01-01

    Coal ash was used as starting material for zeolite synthesis by means of hydrothermal treatment. The surfactant-modified zeolite (SMZ) was prepared by adsorbing the cationic surfactant hexadecyltrimethylammonium bromide (HDTMA-Br) on the external surface of the zeolite from coal ash. The zeolite structure stability was monitored during the characterization of the materials by FTIR, XDR and SEM. The structural parameters of surfactant-modified zeolite are very close to that of corresponding non-modified zeolite which indicates that the crystalline nature of the zeolite remained intact after required chemical treatment with HDTMA-Br molecules and heating treatment for drying. The most intense peaks in the FTIR spectrum of HDTMA-Br were observed in SMZ spectrum confirming adsorption of surfactant on zeolites. (author)

  13. Synthesis and characterization of novel sulfonamides derivatives

    African Journals Online (AJOL)

    3Department of Chemistry, Comsat Institute of Information & Technology Riawind road. Lahore ... Newer sulfonamides and their derivatives has obtained great attention in pharmaceutical field in ... MS data was recorded on Finnigan MAT 112 mass ..... potent and orally active sulfonamide ETB selective antagonists. Bioorg.

  14. Synthesis of hydroxy derivatives of limonene

    International Nuclear Information System (INIS)

    Ardashov, O V; Volcho, K P; Salakhutdinov, N F

    2014-01-01

    Synthetic routes to mono-, di- and trihydroxy derivatives of limonene are presented. Emphasis is given to the problems of regio- and stereoselectivity of transformations. Data on the isolation from natural sources and on the biological activities of the title compounds are given. The bibliography includes 107 references

  15. Design, synthesis, and characterization of novel fine-particle, unsupported catalysts for coal liquefaction. Technical progress report, October 25, 1990--October 24, 1991: Draft

    Energy Technology Data Exchange (ETDEWEB)

    Klein, M.T.

    1991-12-30

    The purpose of this work is to investigate the kinetics-assisted design, synthesis and characterization of fme-pardcle, unsupported catalysts for coal liquefaction. The goal is to develop a fundamental understanding of coal catalysis and catalysts that will, in turn, allow for the specification of a novel optimal catalyst for coal liquefaction.

  16. Study on methanol synthesis from coal-based syngas

    Energy Technology Data Exchange (ETDEWEB)

    Hong-fang Ma; Wei-yong Ying; Ding-ye Fang [East China University of Science and Technology, Shanghai (China). State Key Laboratory of Chemical Engineering

    2009-03-15

    The intrinsic kinetic models of the Langmuir-Hinshelwood type were investigated in terms of the reaction rates of CO hydrogenation and CO{sub 2} hydrogenation in the form of reactant fugacity. The parameters were estimated by the Universal Global Optimization using the Marquardt method. Residual error distribution and statistic tests show that the intrinsic kinetic models are reliable and acceptable. The mathematic model of a combined converter formed by gas-cooled and water-cooled reactor was developed and the gas-cooled reactor and the water-cooled reactor were characterized with one-dimensional mathematic model. The distributions of temperature and concentration in the catalytic bed of the gas-cooled reactor and the water-cooled reactor in a combined converter with a yield of 1.2 Mt/a were simulated. The parallel cross linking pore model was used to describe the transfer process of multi-component diffusion system in the catalyst. The calculated value computed by the internal diffusion efficiency factor calculation model established for methanol synthesis catalyst fit the experimental value very well. 11 refs., 3 figs., 3 tabs.

  17. SYNTHESIS, REACTIVITY AND BIOLOGICAL ACTIVITY OF QUINOXALIN-2-ONE DERIVATIVES

    OpenAIRE

    El Mokhtar Essassi; R. Bouhfid; Y. Kandri Rodi; S. Ferfra; H. Benzeid; Y. Ramli

    2010-01-01

    Quinoxalines have a great interest in various fields and particularly in chemistry, biology and pharmacology. It enabled the researchers to develop many methods for their preparations and to seek new fields of application. In this review, we’ll expose different methods of synthesis of the quinoxalin-2-one, its reactivity and finally we’ll discuss the various biological activities of its derivatives.

  18. Synthesis and antibacterial activity of novel enolphosphate derivatives.

    Science.gov (United States)

    Grison, Claude; Barthes, Nicolas; Finance, Chantal; Duval, Raphael E

    2010-10-01

    A new class of enolphosphates derivatives, the 1-alkenyldiphosphates, was designed and a rapid and efficient synthesis for these compounds was developed. These new molecules showed interesting in vitro antibacterial activities (MIC) against Gram-positive bacteria (Staphylococcus aureus) and Gram-negative pathogens including Pseudomonas aeruginosa and Escherichia coli. 2010 Elsevier Inc. All rights reserved.

  19. Synthesis of a 2-Furylpyrazoline Derivative Using Microwave Irradiation

    Directory of Open Access Journals (Sweden)

    Suban Syed Shafi

    2009-08-01

    Full Text Available A simple method for the synthesis of pyrazoline derivative containing furan moiety was developed. Thus, 5-(6-bromo-1,3-benzodioxol-5-yl-3-(2-furyl-1-(3-methyl-phenyl-4,5-dihydro-1H-pyrazole was synthesized using microwave irradiation and it was characterized by NMR, IR, and LCMS.

  20. Synthesis and molecular docking of new hydrazones derived from ...

    African Journals Online (AJOL)

    Synthesis and molecular docking of new hydrazones derived from ethyl isonipecotate and their biological activities. A Munir, Aziz-ur Rehman, M.A. Abbasi, S.Z. Siddiqui, A Nasir, S.G. Khan, S Rasool, S.A.A. Shah ...

  1. Design of generic coal conversion facilities: Production of oxygenates from synthesis gas---A technology review

    Energy Technology Data Exchange (ETDEWEB)

    1991-10-01

    This report concentrates on the production of oxygenates from coal via gasification and indirect liquefaction. At the present the majority of oxygenate synthesis programs are at laboratory scale. Exceptions include commercial and demonstration scale plants for methanol and higher alcohols production, and ethers such as MTBE. Research and development work has concentrated on elucidating the fundamental transport and kinetic limitations governing various reactor configurations. But of equal or greater importance has been investigations into the optimal catalyst composition and process conditions for the production of various oxygenates.

  2. Synthesis of biomass derived carbon materials for environmental engineering and energy storage applications

    Science.gov (United States)

    Huggins, Mitchell Tyler

    Biomass derived carbon (BC) can serve as an environmentally and cost effective material for both remediation and energy production/storage applications. The use of locally derived biomass, such as unrefined wood waste, provides a renewable feedstock for carbon material production compared to conventional unrenewable resources like coal. Additionally, energy and capital cost can be reduced through the reduction in transport and processing steps and the use of spent material as a soil amendment. However, little work has been done to evaluate and compare biochar to conventional materials such as granular activated carbon or graphite in advanced applications of Environmental Engineering. In this work I evaluated the synthesis and compared the performance of biochar for different applications in wastewater treatment, nutrient recovery, and energy production and storage. This includes the use of biochar as an electrode and filter media in several bioelectrochemical systems (BES) treating synthetic and industrial wastewater. I also compared the treatment efficiency of granular biochar as a packed bed adsorbent for the primary treatment of high strength brewery wastewater. My studies conclude with the cultivation of fungal biomass to serve as a template for biochar synthesis, controlling the chemical and physical features of the feedstock and avoiding some of the limitations of waste derived materials.

  3. The identification of unusual microscopic features in coal and their derived chars: Influence on coal fluidized bed combustion

    Energy Technology Data Exchange (ETDEWEB)

    Valentim, B. [Centro de Geologia da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Lemos de Sousa, M.J. [Centro de Geologia da Universidade do Porto, Praca de Gomes Teixeira, 4099-002 Porto (Portugal); Abelha, P.; Boavida, D.; Gulyurtlu, I. [Departamento de Engenharia Energetica e Controlo Ambiental (DEECA), Instituto Nacional de Engenharia, Tecnologia e Inovacao (INETI), Estrada do Paco do Lumiar, 22, Edif. J, 1649-038, Lisboa (Portugal)

    2006-06-06

    During the petrographic study of seven feed coals from different origins, it was found that these coals presented microfeatures such as: material size, shape, weathering, thermally affected particles and contamination. After devolatilization under fluidized bed conditions, some chars presented the consequences of the above mentioned microfeatures, i.e., unreacted coal, unswelled particles, coatings and microstratification. Since the amounts of the microfeatures observed were low (less than 1%), the present study is essentially observational/descriptional. However, it seems very likely, from the observations that were made, that the occurrence of one or more of these microfeatures in coal, depending on their kind and abundance, may have significant effect on the coal devolatilization. (author)

  4. DEVELOPMENT OF CONTINUOUS SOLVENT EXTRACTION PROCESSES FOR COAL DERIVED CARBON PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Elliot B. Kennel; Philip L. Biedler; Chong Chen; Dady Dadyburjor; Liviu Magean; Peter G. Stansberry; Alfred H. Stiller; John W. Zondlo

    2005-04-13

    The purpose of this DOE-funded effort is to develop continuous processes for solvent extraction of coal for the production of carbon products. These carbon products include materials used in metals smelting, especially in the aluminum and steel industries, as well as porous carbon structural material referred to as ''carbon foam'' and carbon fibers. A process has been developed which results in high quality binder pitch suitable for use in graphite electrodes or carbon anodes. A detailed description of the protocol is given by Clendenin. Briefly, aromatic heavy oils are hydro-treated under mild conditions in order to increase their ability to dissolve coal. An example of an aromatic heavy oil is Koppers Carbon Black Base (CBB) oil. CBB oil has been found to be an effective solvent and acceptably low cost (i.e., significantly below the market price for binder pitch, or about $280 per ton at the time of this writing). It is also possible to use solvents derived from hydrotreated coal and avoid reliance on coke oven recovery products completely if so desired.

  5. Advances in Isolation and Synthesis of Xanthone Derivatives

    Institute of Scientific and Technical Information of China (English)

    YANG Chun-hui; MA Li; WEI Zhen-ping; HAN Feng; GAO Jing

    2012-01-01

    Xanthone and its derivatives occupy a large part of the family of natural polyphenolic compounds with various biological and pharmacological activities.In recent years (from 2006 to 2011),it was reported that 127 xanthones were discovered from plants and fungi using various modem separation methods including silica gel/polyamide column chromatography,HPLC,high-speed counter-current chromatography,high-performance centrifugal partition chromatography,etc.Since total synthesis and structure modification for xanthone and its derivatives have been given attention worldwide,we introduced the synthetic methods of xanthone skeletons as well.Unfortunately,to date,there are still weaknesses in current methods of separation and synthesis,which need to be improved.This review,to a certain extent,provides necessary foundation for the further research and development of medicines containing xanthone and its derivatives.

  6. Intrinsic and extrinsic defects in a family of coal-derived graphene quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Singamaneni, Srinivasa Rao, E-mail: ssingam@ncsu.edu, E-mail: tour@rice.edu [Materials Science Division, Army Research Office, Research Triangle Park, North Carolina 27709 (United States); Department of Material Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Tol, Johan van [National High Magnetic Field Laboratory, Florida State University, 1800 E. Paul Dirac Drive, Tallahassee, Florida 32310 (United States); Ye, Ruquan [Department of Chemistry, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Tour, James M., E-mail: ssingam@ncsu.edu, E-mail: tour@rice.edu [Department of Chemistry, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Department of Materials Science and NanoEngineering, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States)

    2015-11-23

    In this letter, we report on the high frequency (239.2 and 336 GHz) electron spin resonance (ESR) studies performed on graphene quantum dots (GQDs), prepared through a wet chemistry route from three types of coal: (a) bituminous, (b) anthracite, and (c) coke; and from non-coal derived GQDs. The microwave frequency-, power-, and temperature-dependent ESR spectra coupled with computer-aided simulations reveal four distinct magnetic defect centers. In bituminous- and anthracite-derived GQDs, we have identified two of them as intrinsic carbon-centered magnetic defect centers (a broad signal of peak to peak width = 697 (10{sup −4} T), g = 2.0023; and a narrow signal of peak to peak width = 60 (10{sup −4} T), g = 2.003). The third defect center is Mn{sup 2+} ({sup 6}S{sub 5/2}, 3d{sup 5}) (signal width = 61 (10{sup −4} T), g = 2.0023, A{sub iso} = 93(10{sup −4} T)), and the fourth defect is identified as Cu{sup 2+} ({sup 2}D{sub 5/2}, 3d{sup 9}) (g{sub ⊥} = 2.048 and g{sub ‖} = 2.279), previously undetected. Coke-derived and non-coal derived GQDs show Mn{sup 2+} and two-carbon related signals, and no Cu{sup 2+} signal. The extrinsic impurities most likely originate from the starting coal. Furthermore, Raman, photoluminescence, and ESR measurements detected no noticeable changes in the properties of the bituminous GQDs after one year. This study highlights the importance of employing high frequency ESR spectroscopy in identifying the (magnetic) defects, which are roadblocks for spin relaxation times of graphene-based materials. These defects would not have been possible to probe by other spin transport measurements.

  7. Comparison tests, in a pilot plant, of the performance of a coal-derived granular activated carbon: a comparison with coconut husk derived activated carbon

    Energy Technology Data Exchange (ETDEWEB)

    Hirata, S.; Kasahara, A.; Tsuruzono, Y.; Gotoh, M.

    1986-01-01

    A 160 m/sup 3//d pilot plant has been used in a series of comparison tests of the performance of coal-derived and coconut husk derived activated carbons. Activated carbons are used to remove trihalomethane precursors and malodorous substances from city water. A higher mean removal of coloration and COD/sub M//sub n/ was achieved with the coal-derived carbon (by factors of 1.5 and 1.8, respectively). The two activated carbons gave similar performances as regards turbidity, alkalinity, total iron and total manganese. 4 figures, 5 tables.

  8. Synthesis of new derivatives of naphthalene

    International Nuclear Information System (INIS)

    Rivera Marrero, Suchitil; Sablon Carrazana, Marquiza; Lopez Barroso, Rosa Maria

    2011-01-01

    Alzheimer's disease (AD) is the most common cause of dementia and there is no cure for this disease. It is known that it is triggered by the apparition of the senile plaques produced for the agglomeration of β-amyloid peptides. AD's reliable diagnosis is done post-mortem. Recently, non-invasive methods are evaluated for in vivo diagnosis of this disease by means of imaging techniques PET (Positron Emission Tomography), SPECT (Single Photon Emission Computed Tomography) and MRI (Magnetic Resonance Imaging). In the case of the SPECT technique, new organic compounds labeled with radionuclides 1 23I , 1 25I , and 99 mT c have been described. Epidemiological studies have revealed that the use of non-steroidal anti-inflammatory drugs decreases the relative risk of AD. In the last years, the search of compounds with similar structures it has increased in order to be used as labels or drugs. The objective of this paper was to synthesize new naphthalene derivatives, for its further use as quelating agents of 99 mT c, for the detection of β-amyloid plaque in the AD. Thus, spacer arms with different lengths were introduced at β-position (or 1-) of naphthalene molecule through various different reactions. The compounds were structurally characterized by IR, 1 H -NMR and 13 C - NMR spectroscopies and mass spectrometry

  9. Salicylic acid derivatives: synthesis, features and usage as therapeutic tools.

    Science.gov (United States)

    Ekinci, Deniz; Sentürk, Murat; Küfrevioğlu, Ömer İrfan

    2011-12-01

    In the field of medicinal chemistry, there is a growing interest in the use of small molecules. Although acetyl salicylic acid is well known for medical applications, little is known about other salicylic acid derivatives, and there is serious lack of data and information on the effects and biological evaluation that connect them. This review covers the synthesis and drug potencies of salicylic acid derivatives. After a brief overview of the information on salicylic acid and its features, a detailed review of salicylic acids as drugs and prodrugs, usage as cyclooxygenase inhibitors, properties in plants, synthesis and recent patents, is developed. Salicylic acid research is still an important area and innovations continue to arise, which offer hope for new therapeutics in related fields. It is anticipated that this review will guide the direction of long-term drug/nutraceutical safety trials and stimulate ideas for future research.

  10. SYNTHESIS, REACTIVITY AND BIOLOGICAL ACTIVITY OF QUINOXALIN-2-ONE DERIVATIVES

    Directory of Open Access Journals (Sweden)

    El Mokhtar Essassi

    2010-04-01

    Full Text Available Quinoxalines have a great interest in various fields and particularly in chemistry, biology and pharmacology. It enabled the researchers to develop many methods for their preparations and to seek new fields of application. In this review, we’ll expose different methods of synthesis of the quinoxalin-2-one, its reactivity and finally we’ll discuss the various biological activities of its derivatives.

  11. Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling

    Directory of Open Access Journals (Sweden)

    Nour E. A. Abdel-Sattar

    2017-01-01

    Full Text Available This paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT framework. Reactivity indices obtained from the frontier orbital energies as well as electrostatic potential energy maps are discussed and correlated with the molecular structure. X-ray crystallographic data of one of the new compounds is measured and used to support and verify the theoretical results.

  12. Performance effects of coal-derived contaminants on the carbonate fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Pigeaud, A. [Energy Research Corp., Danbury, CT (United States); Wilemski, G. [Physical Sciences, Inc., Andover, MA (United States)

    1993-05-01

    Coal-derived contaminant studies have been pursued at ERC since the early 1980`s when the pace of carbonate fuel cell development began to markedly increase. Initial work was concerned with performance effects on laboratory and bench-scale carbonate fuel cells primarily due to sulfur compounds. Results have now also been obtained with respect to nine additional coal-gas contaminants, including volatile trace metal species. Thermochemical calculations, out-of-cell experiments, and cell performance as well as endurance testshave recently been conducted which have involved the following species: NH{sub 3}, H{sub 2}S [COS], HCl, AsH{sub 3}[As{sub 2}(v)], Zn(v), Pb(v), Cd(v), H{sub 2} Se, Hg(v), Sn(v). Employing thermochemically calculated results, thermogravimetric (TGA) and pre-, and post-test analytical data as well as fuel cell performance observations, it has been shown that there are four main mechanisms of contaminant interaction with the carbonate fuel cell. These have been formulated into performance models for six significant contaminant species, thus providing long-term endurance estimations.

  13. Performance effects of coal-derived contaminants on the carbonate fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Pigeaud, A. (Energy Research Corp., Danbury, CT (United States)); Wilemski, G. (Physical Sciences, Inc., Andover, MA (United States))

    1993-01-01

    Coal-derived contaminant studies have been pursued at ERC since the early 1980's when the pace of carbonate fuel cell development began to markedly increase. Initial work was concerned with performance effects on laboratory and bench-scale carbonate fuel cells primarily due to sulfur compounds. Results have now also been obtained with respect to nine additional coal-gas contaminants, including volatile trace metal species. Thermochemical calculations, out-of-cell experiments, and cell performance as well as endurance testshave recently been conducted which have involved the following species: NH[sub 3], H[sub 2]S [COS], HCl, AsH[sub 3][As[sub 2](v)], Zn(v), Pb(v), Cd(v), H[sub 2] Se, Hg(v), Sn(v). Employing thermochemically calculated results, thermogravimetric (TGA) and pre-, and post-test analytical data as well as fuel cell performance observations, it has been shown that there are four main mechanisms of contaminant interaction with the carbonate fuel cell. These have been formulated into performance models for six significant contaminant species, thus providing long-term endurance estimations.

  14. DEVELOPMENT OF CONTINUOUS SOLVENT EXTRACTION PROCESSES FOR COAL DERIVED CARBON PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Elliot B. Kennel; R. Michael Bergen; Stephen P. Carpenter; Dady Dadyburjor; Manoj Katakdaunde; Liviu Magean; Alfred H. Stiller; W. Morgan Summers; John W. Zondlo

    2006-05-12

    The purpose of this DOE-funded effort is to develop continuous processes for solvent extraction of coal for the production of carbon products. The largest applications are those which support metals smelting, such as anodes for aluminum smelting and electrodes for arc furnaces. Other carbon products include materials used in creating fuels for the Direct Carbon Fuel Cell, metals smelting, especially in the aluminum and steel industries, as well as porous carbon structural material referred to as ''carbon foam'' and carbon fibers. During this reporting period, coking and composite fabrication continued using coal-derived samples. These samples were tested in direct carbon fuel cells. Methodology was refined for determining the aromatic character of hydro treated liquid, based on Nuclear Magnetic Resonance (NMR) and Fourier Transform Infrared (FTIR). Tests at GrafTech International showed that binder pitches produced using the WVU solvent extraction protocol can result in acceptable graphite electrodes for use in arc furnaces. These tests were made at the pilot scale.

  15. Theoretical approaches to creation of robotic coal mines based on the synthesis of simulation technologies

    Science.gov (United States)

    Fryanov, V. N.; Pavlova, L. D.; Temlyantsev, M. V.

    2017-09-01

    Methodological approaches to theoretical substantiation of the structure and parameters of robotic coal mines are outlined. The results of mathematical and numerical modeling revealed the features of manifestation of geomechanical and gas dynamic processes in the conditions of robotic mines. Technological solutions for the design and manufacture of technical means for robotic mine are adopted using the method of economic and mathematical modeling and in accordance with the current regulatory documents. For a comparative performance evaluation of technological schemes of traditional and robotic mines, methods of cognitive modeling and matrix search for subsystem elements in the synthesis of a complex geotechnological system are applied. It is substantiated that the process of technical re-equipment of a traditional mine with a phased transition to a robotic mine will reduce unit costs by almost 1.5 times with a significant social effect due to a reduction in the number of personnel engaged in hazardous work.

  16. Reuse of Coconut Shell, Rice Husk, and Coal Ash Blends in Geopolymer Synthesis

    Science.gov (United States)

    Walmiki Samadhi, Tjokorde; Wulandari, Winny; Prasetyo, Muhammad Iqbal; Rizki Fernando, Muhammad

    2017-10-01

    Mixtures of biomass and coal ashes are likely to be produced in increasing volume as biomass-based energy production is gaining importance in Indonesia. This work highlights the reuse of coconut shell ash (CSA), rice husk ash (RHA), and coal fly ash (FA) for geopolymer synthesis by an activator solution containing concentrated KOH and Na2SiO3. Ash blend compositions are varied according to a simplex-centroid mixture experimental design. Activator to ash mass ratios are varied from 0.8 to 2.0, the higher value being applied for ash compositions with higher Si/Al ratio. The impact of ash blend composition on early strength is adequately modeled by an incomplete quadratic mixture model. Overall, the ashes can produce geopolymer mortars with an early strength exceeding the Indonesian SNI 15-2049-2004 standard minimum value of 2.0 MPa. Good workability of the geopolymer is indicated by their initial setting times which are longer than the minimum value of 45 mins. Geopolymers composed predominantly of RHA composition exhibit poor strength and excessive setting time. FTIR spectroscopy confirms the geopolymerization of the ashes by the shift of the Si-O-Si/Al asymmetric stretching vibrational mode. Overall, these results point to the feasibility of geopolymerization as a reuse pathway for biomass combustion waste.

  17. Biomass-derived carbon composites for enrichment of dilute methane from underground coal mines.

    Science.gov (United States)

    Bae, Jun-Seok; Jin, Yonggang; Huynh, Chi; Su, Shi

    2018-07-01

    Ventilation air methane (VAM), which is the main source of greenhouse gas emissions from coal mines, has been a great challenge to deal with due to its huge flow rates and dilute methane levels (typically 0.3-1.0 vol%) with almost 100% humidity. As part of our continuous endeavor to further improve the methane adsorption capacity of carbon composites, this paper presents new carbon composites derived from macadamia nut shells (MNSs) and incorporated with carbon nanotubes (CNTs). These new carbon composites were fabricated in a honeycomb monolithic structure to tolerate dusty environment and to minimize pressure drop. This paper demonstrates the importance of biomass particle size distributions when formed in a composite and methane adsorption capacities at low pressures relevant to VAM levels. The selectivity of methane over nitrogen was about 10.4 at each relevant partial pressure, which was much greater than that (6.5) obtained conventionally (at very low pressures), suggesting that capturing methane in the presence of pre-adsorbed nitrogen would be a practical option. The equilibrium and dynamic performance of biomass-derived carbon composites were enhanced by 30 and 84%, respectively, compared to those of our previous carbon fiber composites. In addition, the presence of moisture in ventilation air resulted in a negligible effect on the dynamic VAM capture performance of the carbon composites, suggesting that our carbon composites have a great potential for site applications at coal mines because the cost and performance of solid adsorbents are critical factors to consider. Copyright © 2018 Elsevier Ltd. All rights reserved.

  18. Synthesis and antifungal activity of new salicylic acid derivatives

    Directory of Open Access Journals (Sweden)

    Wodnicka Alicja

    2017-03-01

    Full Text Available A simple one-step procedure for synthesis of 1-methoxy-1-oxoalkan-2-yl salicylates and 1-methoxy-1-oxoalkan-2-yl 2-[(1-methoxy-1-oxoalkan-2-yloxy]benzoates by reaction of salicylic acid with several methyl 2-bromoalkanoates was developed. The reactions were carried out in N,N-dimethylformamide (DMF in the presence of anhydrous potassium carbonate. Conditions for regioselective synthesis of target compounds were established. The developed procedure could be easily applied in the industrial production process. The new salicylic acid derivatives were obtained with satisfactory yields and were characterized by MS and 1H NMR spectra. The fungicidal activity of the prepared compounds was tested in vitro against seven species of plant pathogenic fungi. The best results were observed for 1-methoxy-1-oxoalkan-2-yl salicylates which showed moderate or good activity against Botrytis cinerea and Rhizoctonia solani.

  19. Synthesis and Characterization of Biscoumarin and Benzopyrano Dicoumarin Derivatives

    International Nuclear Information System (INIS)

    Nik Khairunissa' Nik Abdullah Zawawi; Muhammad Taha; Norizan Ahmat; Nor Hadiani Ismail; Nik Khairunissa' Nik Abdullah Zawawi; Muhammad Taha; Norizan Ahmat; Nor Hadiani Ismail

    2016-01-01

    The wide-ranging biological activities of 4-hydroxycoumarin have stimulated considerable interest in this class of compounds, and various biscoumarin derivatives have been synthesized. Recently, a number of methods have been reported for the synthesis of biscoumarin by the reaction of 4-hydroxycoumarin and various aldehydes in the presence of catalysts. In the present study, a new series of biscoumarin and benzopyrano dicoumarin were synthesized and physically characterized by nuclear magnetic resonane ( 1 H and 13 C NMR), fourier transform infrared spectroscopy (FTIR), mass spectrometry (MS) and melting point. (author)

  20. Research on mechanism of and catalysts for extraction liquefaction of coal using coal-based solvents; Sekitankei yozai ni yoru sekitan no chushutsu ekika kiko to shokubai no kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1981-07-01

    Papers of Professor Yoshio Kamiya of Tokyo University are compiled into this report. The list of the papers includes (1) Synthesis of heavy fuel oils from coal; (2) Research and development of coal liquefaction; (3) Dissolution reaction of coal by hydrogen-donating aromatic solvents (I); (4) Effect of hydrogen-donor solvent on the liquefaction of coal; (5) Recent studies on the chemical structure of solvent refined coal; (6) Dissolution reaction of coal by hydrogen-donating aromatic solvents (II); (7) Future of coal as energy material; (8), (9), (10) same as (6) in the subject discussed; (11) Recent studies on coal liquefaction catalysts; (12) Environmental problems and drain treatment to accompany processes of converting fossil resources into fuels; (13) Chemistry of coal oxidation; (14) Fractionation and analysis of solvent refined coal by gel permeation chromatography; (15) Current state of research and development of coal liquefaction; (16) Properties and components of coal oils from coal liquefaction processes under development; (17) Solvent effect of coal derived aromatic compounds on the liquefaction of Akabira coal; (18) Chemistry of coal liquefaction; (19) Research and development of coal liquefaction in the U.S.; (20) Thermal treatment of coal-related aromatic ethers in tetralin solution; (21) Recent technology of utilizing heavy carbon resources; (22) Chemical properties and reactivity of coal; (23) Current state and future of development of coal liquefaction processes; and (24) Development of overseas coal liquefaction projects. (NEDO)

  1. SYNTHESIS OF FLAVANONE-6-CARBOXYLIC ACID DERIVATIVES FROM SALICYLIC ACID DERIVATIVE

    Directory of Open Access Journals (Sweden)

    Muhammad Idham Darussalam Mardjan

    2012-02-01

    Full Text Available Synthesis of flavanone-6-carboxylic acid derivatives had been conducted via the route of chalcone. The synthesis was carried out from salicylic acid derivative, i.e. 4-hydroxybenzoic acid, via esterification, Fries rearrangement, Claisen-Schmidt condensation and 1,4-nucleophilic addition reactions. Structure elucidation of products was performed using FT-IR, 1H-NMR, GC-MS and UV-Vis spectrometers. Reaction of 4-hydroxybenzoic acid with methanol catalyzed with sulfuric acid produced methyl 4-hydroxybenzoate in 87% yield. The acid-catalyzed-acetylation of the product using acetic anhydride gave methyl 4-acetoxybenzoate in 75% yield. Furthermore, solvent-free Fries rearrangement of methyl 4-acetoxybenzoate in the presence of AlCl3 produced 3-acetyl-4-hydroxybenzoic acid as the acetophenone derivatives in 67% yield. Then, Claisen-Schmidt condensation of the acetophenone and benzaldehyde derivatives of p-anisaldehyde and veratraldehyde in basic condition gave 2'-hydroxychalcone-5'-carboxylic acid derivatives  in 81 and 71 % yield, respectively. Finally, the ring closure reaction of the chalcone yielded the corresponding flavanone-6-carboxylic acids in 67 and 59% yield, respectively.

  2. REFINERY INTEGRATION OF BY-PRODUCTS FROM COAL-DERIVED JET FUELS

    Energy Technology Data Exchange (ETDEWEB)

    Leslie R. Rudnick; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2005-05-18

    This report summarizes the accomplishments toward project goals during the first six months of the second year of the project to assess the properties and performance of coal based products. These products are in the gasoline, diesel and fuel oil range and result from coal based jet fuel production from an Air Force funded program. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts, acquisition and installation of a research gasoline engine, and modification of diesel engines for use in evaluating diesel produced in the project. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Coal samples have procured and are being assessed for cleaning prior to use in coking studies.

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

    Energy Technology Data Exchange (ETDEWEB)

    Leslie R. Rudnick; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2005-11-17

    This report summarizes the accomplishments toward project goals during the first six months of the second year of the project to assess the properties and performance of coal based products. These products are in the gasoline, diesel and fuel oil range and result from coal based jet fuel production from an Air Force funded program. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts, acquisition and installation of a research gasoline engine, and modification of diesel engines for use in evaluating diesel produced in the project. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Evaluations to assess the quality of coal based fuel oil are reported. Coal samples have procured and are being assessed for cleaning prior to use in coking studies.

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

    Energy Technology Data Exchange (ETDEWEB)

    Leslie R. Rudnick; Andre Boehman; Chunshan Song; Bruce Miller; John Andresen

    2004-09-17

    This report summarizes the accomplishments toward project goals during the first twelve months of the project to assess the properties and performance of coal based products. These products are in the gasoline, diesel and fuel oil range and result from coal based jet fuel production from an Air Force funded program. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts, acquisition and installation of a research gasoline engine, and modification of diesel engines for use in evaluating diesel produced in the project. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Coal samples have procured and are being assessed for cleaning prior to use in coking studies.

  5. Pd/activated carbon sorbents for mid-temperature capture of mercury from coal-derived fuel gas.

    Science.gov (United States)

    Li, Dekui; Han, Jieru; Han, Lina; Wang, Jiancheng; Chang, Liping

    2014-07-01

    Higher concentrations of Hg can be emitted from coal pyrolysis or gasification than from coal combustion, especially elemental Hg. Highly efficient Hg removal technology from coal-derived fuel gas is thus of great importance. Based on the very excellent Hg removal ability of Pd and the high adsorption abilities of activated carbon (AC) for H₂S and Hg, a series of Pd/AC sorbents was prepared by using pore volume impregnation, and their performance in capturing Hg and H₂S from coal-derived fuel gas was investigated using a laboratory-scale fixed-bed reactor. The effects of loading amount, reaction temperature and reaction atmosphere on Hg removal from coal-derived fuel gas were studied. The sorbents were characterized by N₂ adsorption, X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The results indicated that the efficiency of Hg removal increased with the increasing of Pd loading amount, but the effective utilization rate of the active component Pd decreased significantly at the same time. High temperature had a negative influence on the Hg removal. The efficiency of Hg removal in the N₂-H₂S-H₂-CO-Hg atmosphere (simulated coal gas) was higher than that in N₂-H₂S-Hg and N₂-Hg atmospheres, which showed that H₂ and CO, with their reducing capacity, could benefit promote the removal of Hg. The XPS results suggested that there were two different ways of capturing Hg over sorbents in N₂-H₂S-Hg and N₂-Hg atmospheres. Copyright © 2014. Published by Elsevier B.V.

  6. Direct Coal -to-Liquids (CTL) for Jet Fuel Using Biomass-Derived Solvents

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Satya P. [Battelle Memorial Inst., Columbus, OH (United States); Garbark, Daniel B. [Battelle Memorial Inst., Columbus, OH (United States); Taha, Rachid [Battelle Memorial Inst., Columbus, OH (United States); Peterson, Rick [Battelle Memorial Inst., Columbus, OH (United States)

    2017-09-30

    Battelle has demonstrated a novel and potentially breakthrough technology for a direct coal-to-liquids (CTL) process for producing jet fuel using biomass-derived coal solvents (bio-solvents). The Battelle process offers a significant reduction in capital and operating costs and a substantial reduction in greenhouse gas (GHG) emissions, without requiring carbon capture and storage (CCS). The results of the project are the advancement of three steps of the hybrid coal/biomass-to-jet fuel process to the technology readiness level (TRL) of 5. The project objectives were achieved over two phases. In Phase 1, all three major process steps were explored and refined at bench-scale, including: (1) biomass conversion to high hydrogen-donor bio-solvent; (2) coal dissolution in biomass-derived bio-solvent, without requiring molecular H2, to produce a synthetic crude (syncrude); and (3) two-stage catalytic hydrotreating/hydrogenation of syncrude to jet fuel and other distillates. In Phase 2, all three subsystems of the CTL process were scaled up to a pre-pilot scale, and an economic analysis was carried out. A total of over 40 bio-solvents were identified and prepared. The most unique attribute of Battelle’s bio-solvents is their ability to provide much-needed hydrogen to liquefy coal and thus increase its hydrogen content so much that the resulting syncrude is liquid at room temperature. Based on the laboratory-scale testing with bituminous coals from Ohio and West Virginia, a total of 12 novel bio-solvent met the goal of greater than 80% coal solubility, with 8 bio-solvents being as good as or better than a well-known but expensive hydrogen-donor solvent, tetralin. The Battelle CTL process was then scaled up to 1 ton/day (1TPD) at a pre-pilot facility operated in Morgantown, WV. These tests were conducted, in part, to produce enough material for syncrude-upgrading testing. To convert the Battelle-CTL syncrude into a form suitable as a blending stock for jet

  7. Catalytic Production of Ethanol from Biomass-Derived Synthesis Gas

    Energy Technology Data Exchange (ETDEWEB)

    Trewyn, Brian G. [Colorado School of Mines, Golden, CO (United States); Smith, Ryan G. [Iowa State Univ., Ames, IA (United States)

    2016-06-01

    Heterogeneous catalysts have been developed for the conversion of biomass-derived synthetic gas (syngas) to ethanol. The objectives of this project were to develop a clean synthesis gas from biomass and develop robust catalysts with high selectivity and lifetime for C2 oxygenate production from biomass-derived syngas and surrogate syngas. During the timeframe for this project, we have made research progress on the four tasks: (1) Produce clean bio-oil generated from biomass, such as corn stover or switchgrass, by using fast pyrolysis system, (2) Produce clean, high pressure synthetic gas (syngas: carbon monoxide, CO, and hydrogen, H2) from bio-oil generated from biomass by gasification, (3) Develop and characterize mesoporous mixed oxide-supported metal catalysts for the selective production of ethanol and other alcohols, such as butanol, from synthesis gas, and (4) Design and build a laboratory scale synthesis gas to ethanol reactor system evaluation of the process. In this final report, detailed explanations of the research challenges associated with this project are given. Progress of the syngas production from various biomass feedstocks and catalyst synthesis for upgrading the syngas to C2-oxygenates is included. Reaction properties of the catalyst systems under different reaction conditions and different reactor set-ups are also presented and discussed. Specifically, the development and application of mesoporous silica and mesoporous carbon supports with rhodium nanoparticle catalysts and rhodium nanoparticle with manganese catalysts are described along with the significant material characterizations we completed. In addition to the synthesis and characterization, we described the activity and selectivity of catalysts in our micro-tubular reactor (small scale) and fixed bed reactor (larger scale). After years of hard work, we are proud of the work done on this project, and do believe that this work will provide a solid

  8. A preliminary plant design study for the production of diesel from coal via fischer-tropsch synthesis

    International Nuclear Information System (INIS)

    Kamil, M.; Saleem, M.

    2010-01-01

    Pakistan's reliance on conventional means of producing energy has proven to be an inadequate strategy for overcoming it. The situation direly demands diversification of our energy resources not only to overcome current fiasco but also in planning for future. Among the other alternative sources, coal is the main source for producing cheaper electricity being available as huge reserves. This paper presents the preliminary plant design and cost estimation for the production of diesel from coal via coal gasification and fischer-Tropschs synthesis. Prelimnary design calculations and cost estimation are presented along with underlying assumptions. The results reveal that the diesel produced from this process might be cheaper than the crude oil based diesel. (author)

  9. Co-gasification of bituminous coal and hydrochar derived from municipal solid waste: Reactivity and synergy.

    Science.gov (United States)

    Wei, Juntao; Guo, Qinghua; He, Qing; Ding, Lu; Yoshikawa, Kunio; Yu, Guangsuo

    2017-09-01

    In this work, the influences of gasification temperature and blended ratio on co-gasification reactivity and synergy of Shenfu bituminous coal (SF) and municipal solid waste-derived hydrochar (HTC) were investigated using TGA. Additionally, active alkaline and alkaline earth metal (AAEM) transformation during co-gasification was quantitatively analyzed by inductively coupled plasma optical emission spectrometer for correlating synergy on co-gasification reactivity. The results showed that higher char gasification reactivity existed at higher HTC char proportion and gasification temperature, and the main synergy behaviour on co-gasification reactivity was performed as synergistic effect. Enhanced synergistic effect at lower temperature was mainly resulted from more obviously inhibiting the primary AAEM (i.e. active Ca) transformation, and weak synergistic effect still existed at higher temperature since more active K with prominent catalysis was retained. Furthermore, more active HTC-derived AAEM remaining in SF sample during co-gasification would lead to enhanced synergistic effect as HTC char proportion increased. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Characterization of the coal derived humic acids from Mukah, Sarawak as soil conditioner

    Directory of Open Access Journals (Sweden)

    Fong Sim Siong

    2006-01-01

    Full Text Available In Malaysia, abundant coal resources were found in Sarawak and Sabah. The utilization of coal resources, to date, is emphasized on the energy productions. The non-energy utilization as soil conditioner is unexplored. Therefore, this study attempted to characterize the coal humic acids extracted from Mukah coal and to evaluate its properties as soil conditioner. The coal humic acids from the regenerated sample were also assessed. The results revealed that different extractants and concentrations influenced the properties of humic acids. The extraction with KOH at 0.5 mol L-1 produced humic acids with low ash content and high acidic functional groups, which are substantial as soil conditioner. However, the yield was low. Regeneration of coal sample with 10% nitric acids improved the yield to an average of 83.45%. The acidic functional groups of nitrohumic acids were improved with the ash content remained at a low level.

  11. Co-carcinogenesis: Human Papillomaviruses, Coal Tar Derivatives, and Squamous Cell Cervical Cancer

    Directory of Open Access Journals (Sweden)

    Harry W. Haverkos

    2017-11-01

    Full Text Available Cervical cancer (CC is the fourth most common cancers among women worldwide. Human papillomaviruses (HPVs play a major role in the etiology of CC, with several lines of epidemiologic and experimental evidence supporting a role for non-viral (co-carcinogens and host genetic factors in controlling the risk for progression to neoplasia among HPV-infected individuals. The role of co-carcinogens in the development of CC is significant in the developing world where poor sanitation and other socio-economic conditions increase the infectious cancer burden. Here, we discuss how exposure to environmental factors such as coal tar derivatives from cigarette smoking, tar-based sanitary products, and inhaled smoke from biomass-burning stoves, could activate host pathways involved in development of HPV-associated squamous cell cancers in resource-limited settings. Understanding interactions between these pathways with certain oncogenic HPV genotypes may guide implementation of strategies for control and treatment of HPV-associated cancers that develop in populations at high risk of exposure to various co-carcinogens.

  12. Brown coal derived humate inhibits contact hypersensitivity; An efficacy, toxicity and teratogenicity study in rats

    Energy Technology Data Exchange (ETDEWEB)

    Van Rensburg, C.E.J.; Snyman, J.R.; Mokoele, T.; Cromarty, A.D. [University of Pretoria, Pretoria (South Africa). Faculty of Health Science

    2007-10-15

    The effects of two humate products were compared to that of prednisolone on a contact hypersensitivity rat model. Rats, sensitized with dinitrofluorobenzene (DNFB), were placed on a daily oral treatment of 61 mg/kg BW of humate derived from either leonardite or bituminous coal or on prednisolone at one mg/kg BW and challenged 6 days later with a topical application of DNFB to the right ear. The inflamed ears were measured daily. In a toxicity study rats were exposed to daily oral treatment of leonardite humate at 1,000 mg/kg BW for 1 month. A teratogenicity study was done where pregnant rats were treated with 500 mg/kg BW on days 5 to 17 of pregnancy. Only the leonardite humate compared favourably with prednisolone in suppressing contact hypersensitivity. No signs of toxicity were observed and weight gain was normal during the 6-day and 1 month treatments and during the teratogenicity study with the leonardite humate. However, the rats on the other two products experienced slower weight gain. The identification of a naturally occurring nontoxic compound with anti-inflammatory activity is exciting and merits further evaluation in the treatment of patients suffering from inflammatory conditions.

  13. Synthesis and Antibacterial Activity of Some New Phenothiazine Derivatives

    Directory of Open Access Journals (Sweden)

    Pawan Kumar Swarnkar

    2007-01-01

    Full Text Available A series of some new phenothiazine derivatives were synthesized with the objective for evaluation as antimicrobials. The title compounds were prepared by a five step synthesis scheme. 2-Amino-6-substituted benzothiazoles (1 on diazotization afford 6-substituted benzothiazolyl-2-diazonium chlorides (2. Reaction of 2 with cold solution of β-naphthol in dilute NaOH furnishes α-(2-diazo-6-substituted benzothiazolyl- β-sodionaphthoxides (3 which on acidification with concentrated HCl gives α-(2-diazo-6-substituted benzothiazolyl-β-naphthols (4. Reaction of 4 with p-substituted anilines gives α-(2-diazo-6-substituted benzothiazolyl-β-(p-substituted anilino naphthalenes (5. This synthesis besides by using conventional methods was also attempted using microwave. Fusion of 5 with sulphur in presence of iodine results in α-(2-diazo-6-substituted benzothiazolyl-6- substituted [2, 3-b] benzophenothiazines(6. The structures of all these compounds have been supported by elemental analysis and their spectral studies. All synthesized compounds were tested for their antibacterial activity using standard drugs.

  14. Proficient synthesis of bioactive annulated pyrimidine derivatives: A review

    Directory of Open Access Journals (Sweden)

    Ajmal R. Bhat

    2017-11-01

    Full Text Available Syntheses of bioactive annulated pyrimidine derivatives are the most significant tasks in N-heterocyclic chemistry because these compounds have proved to be very attractive and useful for the design of new molecular frameworks of potential drugs with varying pharmacological activities. This review paper summarizes the one-pot multicomponent synthesis of annulated nitrogen- and oxygen-containing heterocycles, such as pyrano[2,3-d]pyrimidines, pyrido[2,3-d]pyrimidines and pyrido[2,3-d;5-6-d]dipyrimidines. The synthetic procedure is based on the chemistry of the domino Knoevenagel-Michael addition mechanism. Keywords: Pyrano[2,3-d]pyrimidines, Pyrido[2,3-d]pyrimidines, Pyrido[2,3-d;5-6-d]dipyrimidines, Barbituric acid/Thio-barbituric acid, Aromatic aldehydes, 6-aminouracil

  15. Design, Synthesis, and Antibacterial Activities of Novel Heterocyclic Arylsulphonamide Derivatives.

    Science.gov (United States)

    Singh, Anuradha; Srivastava, Ritika; Singh, Ramendra K

    2017-02-13

    Design, synthesis, and antibacterial activities of a series of arylsulphonamide derivatives as probable peptide deformylase (PDF) inhibitors have been discussed. Compounds have been designed following Lipinski's rule and after docking into the active site of PDF protein (PDB code: 1G2A) synthesized later on. Furthermore, to assess their antibacterial activity, screening of the compound was done in vitro conditions against Gram-positive and Gram-negative bacterial strains. In silico, studies revealed these compounds as potential antibacterial agents and this fact was also supported by their prominent scoring functions. Antibacterial results indicated that these molecules possessed a significant activity against Staphylococcus aureus, Bacillus cereus, Pseudomonas aeruginosa, and Escherichia coli with MIC values ranging from 0.06 to 0.29 μM. TOPKAT results showed that high LD 50 values and the compounds were assumed non-carcinogenic when various animal models were studied computationally.

  16. Synthesis and Spectroscopic Characterization of Two Tetrasubstituted Cationic Porphyrin Derivatives

    Directory of Open Access Journals (Sweden)

    Newton M. Barbosa Neto

    2011-07-01

    Full Text Available An imidazolium tetrasubstituted cationic porphyrin derivative (the free base and its Zn(II complex with five-membered heterocyclic groups in the meso-positions were synthesized using microwave irradiation, and the compounds obtained characterized by 1H-NMR and mass spectrometry. We observed that under microwave irradiation the yield is similar to when the synthesis is performed under conventional heating, however, the time required to prepare the porphyrins decreases enormously. In order to investigate the electronic state of these compounds, we employed UV-Vis and fluorescence spectroscopy combined with quantum chemical calculations. The results reveal the presence, in both compounds, of a large number of electronic states involving the association between the Soret and a blue-shifted band. The Soret band in both compounds also shows a considerable solvent dependence. As for emission, these compounds present low quantum yield at room temperature and no solvent influence on the fluorescence spectra was observed.

  17. Synthesis of new Technetium 99 agents from aryl piperozine derivatives

    International Nuclear Information System (INIS)

    Zenati, Kaouther

    2012-01-01

    This work arises in the context of developing specific radiopharmaceuticals for serotoninergic 5-HT 1A receptors, for scintigraphic imaging by SPECT. these being involved in several neuropathology. Starting from new derivative of Technetium cytectrene bearing the methoxyphenyl piperazine moiety that have revealed an impressive brain uptake (2.47 pour cent ID/G), we thought to obtain an other radiocomplexe characterized by a more stable brain retention. To do this we added a spacer amino propyl to the first ligand 1-((2methoxyphenyl) piperazine carboxamide ferrocene, thus obtaining 1(3-aminopropyl) 4 (2-methoxyphenyl piperazine) ferrocene carboxamide. We report here the synthesis of the tricarbonyl 99mT c radioligand, its characterization and its biological study. The biodistribution is characterized by a very large uptake in the lungs and relatively slow depuration.Brain absorption is reduced compared to the analogue of origin with equivalent cerebral retention time.

  18. Prediction of the burnout behaviour of chars derived from coal-biomass blends

    Energy Technology Data Exchange (ETDEWEB)

    Tao Wu; Mei Gong; Edward Lester [University of Nottingham, Nottingham (United Kingdom). School of Chemical, Environmental and Mining Engineering

    2007-07-01

    Nowadays, biomass has been considered an alternative fuel to coal and is being used in power plants to replace part of coal used. This study is to investigate the potential of burning biomass with coal and its impacts on burnout levels. Daw Mill coal was selected for burnout modelling together with three biomasses, Cereal, PKE and Olive Cake. Chars were prepared (75-106 micron) and characterised using image analysis methods as in input data into the char burnout model (ChB) which was adapted to allow the prediction of char burnout of biomass-coal blends under typical pf combustion conditions. The burnout performance of four blend compositions for each biomass were modelled (5%, 10%, 20% and 30%). In practice, the low heating-value of biomass produces a lower flame temperature which can lead to lower levels of char burn-out. The effect is closely linked with the type of biomass used. 36 refs., 4 figs., 1 tab.

  19. Synthesis of Zeolite from Coal Fly Ash: Its Application as Water Sorbent

    Directory of Open Access Journals (Sweden)

    Prasert Pavasant

    2010-03-01

    Full Text Available Coal fly ash (CFA was used as raw material for zeolite synthesis by fusion method. In detail, it was mixed with NaOH (with ratio of 2.25 and treated under various temperatures. Synthesized zeolite was characterized using various techniques i.e. X-rayfluorescence (XRF, X-ray diffraction (XRD, and BET surface area analysis. It was found that the surface area of synthesized zeolite were in the range of 49.407-69.136 m2/g depending on the preparing condition, compared to the surface area of CFA about 17.163 m2/g. In addition, according to the XRD result, it was proven that the form of zeolite was Sodium Aluminum Silicate Hydrate (1.08Na2O.Al2O3.1.68SiO2.1.8H2O. The synthesized zeolite was then applied as water sorbent to remove water from ethanol solution (95%. The testing results revealed that the optimal fusion temperature was 450.C, which provided maximum percentage of water removal from ethanol solution (from 95% ethanol to 99.25% ethanol. For comparison, commercial-grade molecular sieve was also tested and was found to increase ethanol concentration from 95% to 99.61%. Hence, it is concluded that our synthesized zeolite provides comparable performance to the commercial-grade molecular sieve.

  20. Green synthesis of carbon quantum dots from lignite coal and the application in Fe3+ detection

    Science.gov (United States)

    Liu, Xuexia; Hao, Juanyuan; Liu, Jianhui; Tao, Hongcai

    2018-02-01

    Carbon quantum dots (CQDs) had attracted much attention due to their unique structures and excellent properties. Their green preparation was one of the research frontiers. However, most of the CQDs were prepared by strong acid oxidation, the way of which was not friendly to the environment. In this study, CQDs were prepared by green ozone oxidation of lignite coal, which is abundant and inexpensive. The CQDs were well dispersed, the size distribution of the obtained CQDs centralized from 2 to 4 nm with the average diameter of about 2.8 nm. In addition, the as-prepared CQDs containing rich oxygen functional groups exhibited good water-solubility and optical properties with yield reached 35%. The CQDs showed a highly sensitive and selective quenching effect to Fe3+ with desirable anti-interference performance. Moreover, the fluorescence intensity of CQDs had a good linear response to the Fe3+ concentration ranging from 10 to 150 µmol/L with the detection limit of 0.26 µmol/L. This green and facile synthesis method had the prospect of large-scale preparation of CQDs.

  1. Synthesis and Antitumor Evaluation of Novel Bis-Triaziquone Derivatives

    Directory of Open Access Journals (Sweden)

    Yuh-Ling Lin

    2009-06-01

    Full Text Available Aziridine-containing compounds have been of interest as anticancer agents since late 1970s. The design, synthesis and study of triaziquone (TZQ analogues with the aim of obtaining compounds with enhanced efficacy and reduced toxicity are an ongoing research effort in our group. A series of bis-type TZQ derivatives has been prepared and their cytotoxic activities were investigated. The cytotoxicity of these bis-type TZQ derivatives were tested on three cancer lines, including breast cancer (BC-M1, oral cancer (OEC-M1, larynx epidermal cancer (Hep2 and one normal skin fibroblast (SF. Most of these synthetic derivatives displayed significant cytotoxic activities against human carcinoma cell lines, but weak activities against SF. Among tested analogues the bis-type TZQ derivative 1a showed lethal effects on larynx epidermal carcinoma cells (Hep2, with an LC50 value of 2.02 mM, and also weak cytotoxic activity against SF cells with an LC50 value over 10 mM for 24 hr treatment. Comparing the viability of normal fibroblast cells treated with compound 1a and TZQ, the LC50 value of the latter was 2.52 mM, indicating more toxicity than compound 1a. This significantly decreased cytotoxicity of compound 1a towards normal SF cells, while still maintaining the anticancer activity towards Hep2 cells is an interesting feature. Among the seven compounds synthesized, compound 1c has similar toxicity effects on the three cancer cell lines and SF normal cells as the TZQ monomer.

  2. Catalytic hydrotreatment of Illinois No. 6 coal-derived naphtha: comparison of molybdenum nitride and molybdenum sulfide for heteroatom removal

    Energy Technology Data Exchange (ETDEWEB)

    Raje, A.; Liaw, S.J.; Chary, K.V.R.; Davis, B.H. [University of Kentucky, Lexington, KY (United States). Center for Applied Energy Research

    1995-03-16

    The hydrotreatment of naphtha derived from Illinois No. 6 coal was investigated using molybdenum sulfide and nitride catalysts. The two catalysts are compared on the basis of total catalyst weight. Molybdenum sulfide is more active than molybdenum nitride for hydrodesulfurization (HDS) of a coal-derived naphtha. The rate of hydrodeoxygenation (HDO) of the naphtha over both catalysts are comparable. For hydrodenitrogenation (HDN), the sulfide is more active than the nitride only at higher temperatures ({gt}325{degree}C). Based upon conversion data, the naphtha can be lumped into a reactive and a less reactive fraction with each following first-order kinetics for heteroatom removal. The HDS and HDN rates and activation energies of the less reactive lump are smaller for the nitride than for the sulfide catalyst.

  3. Tritium labelled steroids, preparation process and application to synthesis of tritium labelled estrane derivatives

    International Nuclear Information System (INIS)

    1978-01-01

    Process for preparing new steroids labelled with tritium in 6.7 and comprising in 3 a blocked ketonic group as ketal, thioketal or derivatives. Application of these products to the synthesis of tritium labelled estrane derivatives [fr

  4. Coal-Derived Warm Syngas Purification and CO2 Capture-Assisted Methane Production

    Energy Technology Data Exchange (ETDEWEB)

    Dagle, Robert A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); King, David L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Li, Xiaohong S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xing, Rong [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Spies, Kurt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zhu, Yunhua [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Rainbolt, James E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Li, Liyu [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Braunberger, B. [Western Research Inst., Laramie, WY (United States)

    2014-10-01

    Gasifier-derived syngas from coal has many applications in the area of catalytic transformation to fuels and chemicals. Raw syngas must be treated to remove a number of impurities that would otherwise poison the synthesis catalysts. Inorganic impurities include alkali salts, chloride, sulfur compounds, heavy metals, ammonia, and various P, As, Sb, and Se- containing compounds. Systems comprising multiple sorbent and catalytic beds have been developed for the removal of impurities from gasified coal using a warm cleanup approach. This approach has the potential to be more economic than the currently available acid gas removal (AGR) approaches and improves upon currently available processes that do not provide the level of impurity removal that is required for catalytic synthesis application. Gasification also lends itself much more readily to the capture of CO2, important in the regulation and control of greenhouse gas emissions. CO2 capture material was developed and in this study was demonstrated to assist in methane production from the purified syngas. Simultaneous CO2 sorption enhances the CO methanation reaction through relaxation of thermodynamic constraint, thus providing economic benefit rather than simply consisting of an add-on cost for carbon capture and release. Molten and pre-molten LiNaKCO3 can promote MgO and MgO-based double salts to capture CO2 with high cycling capacity. A stable cycling CO2 capacity up to 13 mmol/g was demonstrated. This capture material was specifically developed in this study to operate in the same temperature range and therefore integrate effectively with warm gas cleanup and methane synthesis. By combining syngas methanation, water-gas-shift, and CO2 sorption in a single reactor, single pass yield to methane of 99% was demonstrated at 10 bar and 330°C when using a 20 wt% Ni/MgAl2O4 catalyst and a molten-phase promoted Mg

  5. A novel chemo-enzymatic synthesis of hydrophilic phytosterol derivatives.

    Science.gov (United States)

    He, Wen-Sen; Hu, Di; Wang, Yu; Chen, Xue-Yan; Jia, Cheng-Sheng; Ma, Hai-Le; Feng, Biao

    2016-02-01

    In this study, a novel method was developed for chemo-enzymatic synthesis of hydrophilic phytosterol derivatives, phytosteryl polyethylene glycol succinate (PPGS), through an intermediate phytosteryl hemisuccinate (PSHS), which was first chemically prepared and subsequently coupled with polyethylene glycol (PEG) through lipase-catalyzed esterification. The chemical structure of intermediate and goal product were finally confirmed to be PSHS and PPGS by FT-IR, MS and NMR, suggesting that hydrophilic phytosterol derivatives were successfully synthesized. The effects of various parameters on the conversion of PSHS to PPGS were investigated and the highest conversion (>78%) was obtained under the selected conditions: 75 mmol/L PSHS, 1:2M ratio of PSHS to PEG, 50 g/L Novozym 435, 120 g/L 3 Å molecular sieves in tert-butanol, 55 °C, 96 h and 200 rpm. The solubility of phytosterols in water was significantly improved by coupling with PEG, facilitating the incorporation into a variety of foods containing water. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. Efficient synthesis of a fluorine-18 labeled biotin derivative

    International Nuclear Information System (INIS)

    Claesener, Michael; Breyholz, Hans-Jörg; Hermann, Sven; Faust, Andreas; Wagner, Stefan; Schober, Otmar; Schäfers, Michael; Kopka, Klaus

    2012-01-01

    Introduction: The natural occurring vitamin biotin, also known as vitamin H or vitamin B 7 , plays a major role in various metabolic reactions. Caused by its high binding affinity to the protein avidin with a dissociation constant of about 10 -15 M the biotin-avidin system was extensively examined for multiple applications. We have synthesized a fluorine-18 labeled biotin derivative [ 18 F]4 for a potential application in positron emission tomography (PET). Methods: Mesylate precursor 3 was obtained by an efficient two-step reaction via a copper catalyzed azide-alkyne cycloaddition (CuAAC) from easily accessible starting materials. [ 18 F]4 was successfully synthesized by a nucleophilic radiofluorination of precursor 3. A biodistribution study by means of small-animal PET imaging in wt-mice was performed and serum stability was examined. Results: Compound [ 18 F]4 was obtained from precursor compound 3 with an average specific activity of 16 GBq/μmol within 45 min and a radiochemical yield of 45 ± 5% (decay corrected). [ 18 F]4 demonstrated only negligible decomposition in human serum. A qualitative binding study revealed the high affinity of the synthesized biotin derivative to avidin. Blocking experiments with native biotin showed that binding was site-specific. Biodistribution studies showed that [ 18 F]4 was cleared quickly and efficiently from the body by hepatobiliary and renal elimination. Conclusion: An efficient synthesis for [ 18 F]4 was established. In vivo characteristics were determined and demonstrated the pharmacokinetic behaviour of [ 18 F]4.

  7. Novel catalysts for upgrading coal-derived liquids. Final technical progress report

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, L.T.; Savage, P.E.; Briggs, D.E.

    1995-03-31

    Research described in this report was aimed at synthesizing and evaluating supported Mo oxynitrides and oxycarbides for the selective removal of nitrogen, sulfur and oxygen from model and authentic coal-derived liquids. The Al{sub 2}O{sub 3}-supported oxynitrides and oxycarbides were synthesized via the temperature programmed reaction of supported molybdenum oxides or hydrogen bronzes with NH{sub 3} or an equimolar mixture of CH{sub 4} and H{sub 2}. Phase constituents and composition were determined by X-ray diffraction, CHN analysis, and neutron activation analysis. Oxygen chemisorption was used to probe the surface structure of the catalysts. The reaction rate data was collected using specially designed micro-batch reactors. The Al{sub 2}O{sub 3}-supported Mo oxynitrides and oxycarbides were competitively active for quinoline hydrodenitrogenation (HDN), benzothiophene hydrodesulfurization (HDS) and benzofuran hydrodeoxygenation (HDO). In fact, the HDN and HDO specific reaction rates for several of the oxynitrides and oxycarbides were higher than those of a commercial Ni-Mo/Al{sub 2}O{sub 3} hydrotreatment catalyst. Furthermore, the product distributions indicated that the oxynitrides and oxycarbides were more hydrogen efficient than the sulfide catalysts. For HDN and HDS the catalytic activity was a strong inverse function of the Mo loading. In contrast, the benzofuran hydrodeoxygenation (HDO) activities did not appear to be affected by the Mo loading but were affected by the heating rate employed during nitridation or carburization. This observation suggested that HDN and HDS occurred on the same active sites while HDO was catalyzed by a different type of site.

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

    Energy Technology Data Exchange (ETDEWEB)

    Caroline E. Burgess Clifford; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2006-05-17

    This report summarizes the accomplishments toward project goals during the first six months of the third year of the project to assess the properties and performance of coal based products. These products are in the gasoline, diesel and fuel oil range and result from coal based jet fuel production from an Air Force funded program. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts, acquisition and installation of a research gasoline engine, and modification of diesel engines for use in evaluating diesel produced in the project. Characterization of the gasoline fuel indicates a dominance of single ring alkylcycloalkanes that have a low octane rating; however, blends containing these compounds do not have a negative effect upon gasoline when blended in refinery gasoline streams. Characterization of the diesel fuel indicates a dominance of 3-ring aromatics that have a low cetane value; however, these compounds do not have a negative effect upon diesel when blended in refinery diesel streams. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Combustion and characterization of fuel oil indicates that the fuel is somewhere in between a No. 4 and a No. 6 fuel oil. Emission testing indicates the fuel burns similarly to these two fuels, but trace metals for the coal-based material are different than petroleum-based fuel oils. Co-coking studies using cleaned coal are highly reproducible in the pilot-scale delayed coker. Evaluation of the coke by Alcoa, Inc. indicated that while the coke produced is of very good quality, the metals content of the carbon is still high in iron and silica. Coke is being evaluated for other possible uses

  9. Possibility of chemical products from coal

    Energy Technology Data Exchange (ETDEWEB)

    Harris, G A; Sinnett, C E; Swift, H E

    1982-01-01

    An account of the SRC-II plant, which produces solvent refined coal (SRC), a liquid product. SRC is a raw material with potential as a new source of hydrocarbons. Topics discussed include the possibilities of its use as a petrochemical feedstock; derivatives and the amounts obtained; economic assessments and expected prices. The translator of this article puts forward the view that, due to the difficulty of obtaining the type of coal needed for SRC-II, the best policy for Japanese coal liquefaction is methanol synthesis.

  10. Efficient synthesis of a fluorine-18 labeled biotin derivative.

    Science.gov (United States)

    Claesener, Michael; Breyholz, Hans-Jörg; Hermann, Sven; Faust, Andreas; Wagner, Stefan; Schober, Otmar; Schäfers, Michael; Kopka, Klaus

    2012-11-01

    The natural occurring vitamin biotin, also known as vitamin H or vitamin B(7), plays a major role in various metabolic reactions. Caused by its high binding affinity to the protein avidin with a dissociation constant of about 10(-15)M the biotin-avidin system was extensively examined for multiple applications. We have synthesized a fluorine-18 labeled biotin derivative [(18)F]4 for a potential application in positron emission tomography (PET). Mesylate precursor 3 was obtained by an efficient two-step reaction via a copper catalyzed azide-alkyne cycloaddition (CuAAC) from easily accessible starting materials. [(18)F]4 was successfully synthesized by a nucleophilic radiofluorination of precursor 3. A biodistribution study by means of small-animal PET imaging in wt-mice was performed and serum stability was examined. Compound [(18)F]4 was obtained from precursor compound 3 with an average specific activity of 16GBq/μmol within 45min and a radiochemical yield of 45±5% (decay corrected). [(18)F]4 demonstrated only negligible decomposition in human serum. A qualitative binding study revealed the high affinity of the synthesized biotin derivative to avidin. Blocking experiments with native biotin showed that binding was site-specific. Biodistribution studies showed that [(18)F]4 was cleared quickly and efficiently from the body by hepatobiliary and renal elimination. An efficient synthesis for [(18)F]4 was established. In vivo characteristics were determined and demonstrated the pharmacokinetic behaviour of [(18)F]4. Copyright © 2012 Elsevier Inc. All rights reserved.

  11. 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

    The final report summarizes the accomplishments toward project goals during length of the project. The goal of this project was to integrate coal into a refinery in order to produce coal-based jet fuel, with the major goal to examine the products other than jet fuel. These products are in the gasoline, diesel and fuel oil range and result from coal-based jet fuel production from an Air Force funded program. The main goal of Task 1 was the production of coal-based jet fuel and other products that would need to be utilized in other fuels or for non-fuel sources, using known refining technology. The gasoline, diesel fuel, and fuel oil were tested in other aspects of the project. Light cycle oil (LCO) and refined chemical oil (RCO) were blended, hydrotreated to removed sulfur, and hydrogenated, then fractionated in the original production of jet fuel. Two main approaches, taken during the project period, varied where the fractionation took place, in order to preserve the life of catalysts used, which includes (1) fractionation of the hydrotreated blend to remove sulfur and nitrogen, followed by a hydrogenation step of the lighter fraction, and (2) fractionation of the LCO and RCO before any hydrotreatment. Task 2 involved assessment of the impact of refinery integration of JP-900 production on gasoline and diesel fuel. Fuel properties, ignition characteristics and engine combustion of model fuels and fuel samples from pilot-scale production runs were characterized. The model fuels used to represent the coal-based fuel streams were blended into full-boiling range fuels to simulate the mixing of fuel streams within the refinery to create potential 'finished' fuels. The representative compounds of the coal-based gasoline were cyclohexane and methyl cyclohexane, and for the coal-base diesel fuel they were fluorine and phenanthrene. Both the octane number (ON) of the coal-based gasoline and the cetane number (CN) of the coal-based diesel were low, relative to

  12. The Interpretation of Cholesterol Balance Derived Synthesis Data and Surrogate Noncholesterol Plasma Markers for Cholesterol Synthesis under Lipid Lowering Therapies

    Directory of Open Access Journals (Sweden)

    Frans Stellaard

    2017-01-01

    Full Text Available The cholesterol balance procedure allows the calculation of cholesterol synthesis based on the assumption that loss of endogenous cholesterol via fecal excretion and bile acid synthesis is compensated by de novo synthesis. Under ezetimibe therapy hepatic cholesterol is diminished which can be compensated by hepatic de novo synthesis and hepatic extraction of plasma cholesterol. The plasma lathosterol concentration corrected for total cholesterol concentration (R_Lath as a marker of de novo cholesterol synthesis is increased during ezetimibe treatment but unchanged under treatment with ezetimibe and simvastatin. Cholesterol balance derived synthesis data increase during both therapies. We hypothesize the following. (1 The cholesterol balance data must be applied to the hepatobiliary cholesterol pool. (2 The calculated cholesterol synthesis value is the sum of hepatic de novo synthesis and the net plasma—liver cholesterol exchange rate. (3 The reduced rate of biliary cholesterol absorption is the major trigger for the regulation of hepatic cholesterol metabolism under ezetimibe treatment. Supportive experimental and literature data are presented that describe changes of cholesterol fluxes under ezetimibe, statin, and combined treatments in omnivores and vegans, link plasma R_Lath to liver function, and define hepatic de novo synthesis as target for regulation of synthesis. An ezetimibe dependent direct hepatic drug effect cannot be excluded.

  13. Center for Coal-Derived Low Energy Materials for Sustainable Construction

    Energy Technology Data Exchange (ETDEWEB)

    Jewell, Robert; Robl, Tom; Rathbone, Robert

    2012-06-30

    The overarching goal of this project was to create a sustained center to support the continued development of new products and industries that manufacture construction materials from coal combustion by-products or CCB’s (e.g., cements, grouts, wallboard, masonry block, fillers, roofing materials, etc). Specific objectives includes the development of a research kiln and associated system and the formulation and production of high performance low-energy, low-CO2 emitting calcium sulfoaluminate (CAS) cement that utilize coal combustion byproducts as raw materials.

  14. Synthesis of pyrimidine carboxamide derivatives catalyzed by uranyl

    African Journals Online (AJOL)

    2014-09-02

    (Received September 2, 2014; revised January 1, 2016). ABSTRACT. An efficient and simple method was developed for the synthesis pyrimidine-5-carboxamides using. UO2(NO3)2.6H2O catalyst under conventional and microwave irradiation. The synthesis of dihydropyrimidine using uranyl nitrate had shown many ...

  15. Biological relevance and synthesis of C-substituted morpholine derivatives

    NARCIS (Netherlands)

    Wijtmans, R.; Vink, M.K.S.; Schoemaker, H.E.; Delft, F.L. van; Blaauw, R.H.; Rutjes, F.P.J.T.

    2004-01-01

    C-Functionalized morpholines are found in a variety of natural products and biologically active compounds, but have also for other reasons been applied in organic synthesis. This review deals with the biological relevance of C-substituted morpholines, their synthesis and important applications in

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

    Energy Technology Data Exchange (ETDEWEB)

    Caroline E. Burgess Clifford; Andre' Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2006-09-17

    This report summarizes the accomplishments toward project goals during the second six months of the third year of the project to assess the properties and performance of coal based products. These products are in the gasoline, diesel and fuel oil range and result from coal based jet fuel production from an Air Force funded program. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts and examination of carbon material, the use of a research gasoline engine to test coal-based gasoline, and modification of diesel engines for use in evaluating diesel produced in the project. At the pilot scale, the hydrotreating process was modified to separate the heavy components from the LCO and RCO fractions before hydrotreating in order to improve the performance of the catalysts in further processing. Characterization of the gasoline fuel indicates a dominance of single ring alkylcycloalkanes that have a low octane rating; however, blends containing these compounds do not have a negative effect upon gasoline when blended in refinery gasoline streams. Characterization of the diesel fuel indicates a dominance of 3-ring aromatics that have a low cetane value; however, these compounds do not have a negative effect upon diesel when blended in refinery diesel streams. Both gasoline and diesel continue to be tested for combustion performance. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Activated carbons have proven useful to remove the heavy sulfur components, and unsupported Ni/Mo and Ni/Co catalysts have been very effective for hydrodesulfurization. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Combustion and characterization of the latest fuel oil (the high temperature fraction of RCO

  17. Multistep Synthesis of a Terphenyl Derivative Showcasing the Diels-Alder Reaction

    Science.gov (United States)

    Davie, Elizabeth A. Colby

    2015-01-01

    An adaptable multistep synthesis project designed for the culmination of a second-year organic chemistry laboratory course is described. The target compound is a terphenyl derivative that is an intermediate in the synthesis of compounds used in organic light-emitting devices. Students react a conjugated diene with dimethylacetylene dicarboxylate…

  18. Synthesis of the Insecticide Prothrin and Its Analogues from Biomass-Derived 5-(Cloromethyl)furfural

    Science.gov (United States)

    2013-12-19

    Synthesis of the Insecticide Prothrin and Its Analogues from Biomass-Derived 5‑(Chloromethyl) furfural Fei Chang,† Saikat Dutta,† James J. Becnel...derived platform chemical 5- (chloromethyl) furfural in six steps and overall 65% yield. Two structural analogues of prothrin were also prepared following...insecticidal activities. KEYWORDS: biomass, furans, pyrethroids, synthesis, 5-(chloromethyl) furfural ■ INTRODUCTION Previously, we have described the

  19. a convenient synthesis of pyrandione derivatives using p

    African Journals Online (AJOL)

    N. Benosmane

    2016-09-01

    Sep 1, 2016 ... P-TOLUENESULFONIC ACID AS CATALYST UNDER ULTRASOUND ... improvement a green organic reaction methodology, which is ..... [5] Tan S F, Ang K P, Jayachandran H L. Synthesis and characterisation of copper(II),.

  20. Synthesis of novel azaxanthones derived from N-hydroxyazoles

    DEFF Research Database (Denmark)

    Kristensen, Jesper Langgaard; Vedsø, P.; Begtrup, M.

    2002-01-01

    The synthesis of a new class of azaxanthones is presented. The N-O functionality of 1-hydroxypyrazole and 1-hydroxy-1,2,3-triazole was used to direct metalation and subsequently in the new ring systems....

  1. Synthesis of zeolites Na-A and Na-X from tablet compressed and calcinated coal fly ash

    Science.gov (United States)

    Hu, Tao; Gao, Wenyan; Liu, Xin; Zhang, Yifu; Meng, Changgong

    2017-10-01

    Zeolites Na-A and Na-X are important synthetic zeolites widely used for separation and adsorption in industry. It is of great significance to develop energy-efficient routines that can synthesize zeolites Na-A and Na-X from low-cost raw materials. Coal fly ash (CFA) is the major residue from the combustion of coal and biomass containing more than 85% SiO2 and Al2O3, which can readily replace the conventionally used sodium silicate and aluminate for zeolite synthesis. We used Na2CO3 to replace the expensive NaOH used for the calcination of CFA and showed that tablet compression can enhance the contact with Na2CO3 for the activation of CFA through calcination for the synthesis of zeolites Na-A and Na-X under mild conditions. We optimized the control variables for zeolite synthesis and showed that phase-pure zeolite Na-A can be synthesized with CFA at reactant molar ratio, hydrothermal reaction temperature and reaction time of 1.3Na2O: 0.6Al2O3: 1SiO2: 38H2O at 80°C for 6 h, respectively, while phase-pure zeolite Na-X can be synthesized at 2.2Na2O: 0.2Al2O3: 1SiO2: 88H2O at 100°C for 8 h, respectively. The composition, morphology, specific surface area, vibration spectrum and thermogravimetry of synthesized Na-A and Na-X were further characterized.

  2. Synthesis and anticancer evaluation of imidazolinone and benzoxazole derivatives

    Directory of Open Access Journals (Sweden)

    Heba A. El-Hady

    2017-05-01

    Full Text Available A series of imidazolinone and benzoxazole derivatives (3 and 5 have been synthesized by the condensation of oxazolinone derivatives (2a–c with aniline and 2-hydroxyaniline. Acetyl derivatives (4, 6 and 7 were prepared via acetylation of compounds 3 and 5 with acetic anhydride and chloroacetyl chloride. The results revealed that imidazolinone and benzoxazole derivatives are potent against the cancer cell lines MCF-7 and HePG2. In particular, benzoxazole derivatives are more potent than imidazolinone derivatives.

  3. Efficient and large scale synthesis of graphene from coal and its film electrical properties studies.

    Science.gov (United States)

    Wu, Yingpeng; Ma, Yanfeng; Wang, Yan; Huang, Lu; Li, Na; Zhang, Tengfei; Zhang, Yi; Wan, Xiangjian; Huang, Yi; Chen, Yongsheng

    2013-02-01

    Coal, which is abundant and has an incompact structure, is a good candidate to replace graphite as the raw material for the production of graphene. Here, a new solution phase technique for the preparation of graphene from coal has been developed. The precursor: graphene oxide got from coal was examined by atomic force microscopy, dynamic light scattering and X-ray diffraction, the results showed the GO was a small and single layer sheet. The graphene was examined by X-ray photoelectron spectroscopy, and Raman spectroscopy. Furthermore, graphene films have been prepared using direct solution process and the electrical conductivity and Hall effect have been studied. The results showed the conductivity of the films could reach as high as 2.5 x 10(5) Sm(-1) and exhibited an n-type behavior.

  4. Gold-Catalyzed Cyclizations of Alkynol-Based Compounds: Synthesis of Natural Products and Derivatives

    Directory of Open Access Journals (Sweden)

    Pedro Almendros

    2011-09-01

    Full Text Available The last decade has witnessed dramatic growth in the number of reactions catalyzed by gold complexes because of their powerful soft Lewis acid nature. In particular, the gold-catalyzed activation of propargylic compounds has progressively emerged in recent years. Some of these gold-catalyzed reactions in alkynes have been optimized and show significant utility in organic synthesis. Thus, apart from significant methodology work, in the meantime gold-catalyzed cyclizations in alkynol derivatives have become an efficient tool in total synthesis. However, there is a lack of specific review articles covering the joined importance of both gold salts and alkynol-based compounds for the synthesis of natural products and derivatives. The aim of this Review is to survey the chemistry of alkynol derivatives under gold-catalyzed cyclization conditions and its utility in total synthesis, concentrating on the advances that have been made in the last decade, and in particular in the last quinquennium.

  5. Production of synthesis gas and methane via coal gasification utilizing nuclear heat

    International Nuclear Information System (INIS)

    van Heek, K.H.; Juentgen, H.

    1982-01-01

    The steam gasificaton of coal requires a large amount of energy for endothermic gasification, as well as for production and heating of the steam and for electricity generation. In hydrogasification processes, heat is required primarily for the production of hydrogen and for preheating the reactants. Current developments in nuclear energy enable a gas cooled high temperature nuclear reactor (HTR) to be the energy source, the heat produced being withdrawn from the system by means of a helium loop. There is a prospect of converting coal, in optimal yield, into a commercial gas by employing the process heat from a gas-cooled HTR. The advantages of this process are: (1) conservation of coal reserves via more efficient gas production; (2) because of this coal conservation, there are lower emissions, especially of CO 2 , but also of dust, SO 2 , NO/sub x/, and other harmful substances; (3) process engineering advantages, such as omission of an oxygen plant and reduction in the number of gas scrubbers; (4) lower gas manufacturing costs compared to conventional processes. The main problems involved in using nuclear energy for the industrial gasification of coal are: (1) development of HTRs with helium outlet temperatures of at least 950 0 C; (2) heat transfer from the core of the reactor to the gas generator, methane reforming oven, or heater for the hydrogenation gas; (3) development of a suitable allothermal gas generator for the steam gasification; and (4) development of a helium-heated methane reforming oven and adaption of the hydrogasification process for operation in combination with the reactor. In summary, processes for gasifying coal that employ heat from an HTR have good economic and technical prospects of being realized in the future. However, time will be required for research and development before industrial application can take place. 23 figures, 4 tables. (DP)

  6. Synthesis of Substituted α-Trifluoromethyl Piperidinic Derivatives

    Directory of Open Access Journals (Sweden)

    Sarah Rioton

    2017-03-01

    Full Text Available A comprehensive survey of pathways leading to the generation of α-trifluoromethyl monocyclic piperidinic derivatives is provided (65 references. These compounds have been synthesized either from 6-membered rings e.g., pipecolic acid or lactam derivatives by introduction a trifluoromethyl group, from pyridine or pyridinone derivatives by reduction, and from 5-membered rings e.g., prolinol derivatives by ring expansion, from linear amines by cyclization or from dienes/dienophiles by [4 + 2]-cycloaddition.

  7. Development of disposal sorbents for chloride removal from high-temperature coal-derived gases

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan, G.N.; Wood, B.J.; Canizales, A. [and others

    1995-11-01

    The objective of this program is to develop alkali-based disposable sorbents capable of reducing HCl vapor concentrations to less than 1 ppmv in coal gas streams at temperatures in the range 400{degrees} to 750{degrees}C and pressures in the range 1 to 20 atm. The primary areas of focus of this program are investigation of different processes for fabricating the sorbents, testing their suitability for different reactor configurations, obtaining kinetic data for commercial reactor design, and updating the economics of the process.

  8. DEVELOPMENT OF CONTINUOUS SOLVENT EXTRACTION PROCESSES FOR COAL DERIVED CARBON PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Elliot B. Kennel; Stephen P. Carpenter; Dady Dadyburjor; Manoj Katakdaunde; Liviu Magean; Peter G. Stansberry; Alfred H. Stiller; John W. Zondlo

    2005-06-08

    The purpose of this DOE-funded effort is to develop continuous processes for solvent extraction of coal for the production of carbon products. These carbon products include materials used in metals smelting, especially in the aluminum and steel industries, as well as porous carbon structural material referred to as ''carbon foam'' and carbon fibers. During this reporting period, efforts have focused on the development of continuous processes for hydrogenation as well as continuous production of carbon foam and coke.

  9. DEVELOPMENT OF CONTINUOUS SOLVENT EXTRACTION PROCESSES FOR COAL DERIVED CARBON PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Elliot B. Kennel; Stephen P. Carpenter; Dady Dadyburjor; Manoj Katakdaunde; Liviu Magean; Madhavi Nallani-Chakravartula; Peter G. Stansberry; Alfred H. Stiller; John W. Zondlo

    2006-03-27

    The purpose of this DOE-funded effort is to develop continuous processes for solvent extraction of coal for the production of carbon products. These carbon products include materials used in metals smelting, especially in the aluminum and steel industries, as well as porous carbon structural material referred to as ''carbon foam'' and carbon fibers. During this reporting period, efforts have focused on the development of continuous processes for hydrogenation as well as continuous production of carbon foam and coke.

  10. PALLADIUM/COPPER ALLOY COMPOSITE MEMBRANES FOR HIGH TEMPERATURE HYDROGEN SEPARATION FROM COAL-DERIVED GAS STREAMS; F

    International Nuclear Information System (INIS)

    J. Douglas Way; Robert L. McCormick

    2001-01-01

    Recent advances have shown that Pd-Cu composite membranes are not susceptible to the mechanical, embrittlement, and poisoning problems that have prevented widespread industrial use of Pd for high temperature H(sub 2) separation. These membranes consist of a thin ((approx)10(micro)m) film of metal deposited on the inner surface of a porous metal or ceramic tube. Based on preliminary results, thin Pd(sub 60)Cu(sub 40) films are expected to exhibit hydrogen flux up to ten times larger than commercial polymer membranes for H(sub 2) separation, and resist poisoning by H(sub 2)S and other sulfur compounds typical of coal gas. Similar Pd-membranes have been operated at temperatures as high as 750 C. The overall objective of the proposed project is to demonstrate the feasibility of using sequential electroless plating to fabricate Pd(sub 60)Cu(sub 40) alloy membranes on porous supports for H(sub 2) separation. These following advantages of these membranes for processing of coal-derived gas will be demonstrated: High H(sub 2) flux; Sulfur tolerant, even at very high total sulfur levels (1000 ppm); Operation at temperatures well above 500 C; and Resistance to embrittlement and degradation by thermal cycling. The proposed research plan is designed to providing a fundamental understanding of: Factors important in membrane fabrication; Optimization of membrane structure and composition; Effect of temperature, pressure, and gas composition on H(sub 2) flux and membrane selectivity; and How this membrane technology can be integrated in coal gasification-fuel cell systems

  11. An exploration on the synthesis and bio-applications of derivatives ...

    African Journals Online (AJOL)

    Keeping in view of the importance of this organic moiety in the field of medicine and biology here an attempt has been made to review the synthesis and biological importance of heterocyclic Mannich base derivatives. Keywords: Amines, β-amino carbonyl compounds, Biological activity, Heterocyclic Mannich base derivative ...

  12. Synthesis and Antiangiogenic Activity of N-Alkylated Levamisole Derivatives

    DEFF Research Database (Denmark)

    Hansen, Anders N.; Bendiksen, Christine D.; Sylvest, Lene

    2012-01-01

    profile, was recently shown to be an inhibitor of angiogenesis in vitro and exhibited tumor growth inhibition in mice. Here we describe the synthesis and in vitro evaluation of a series of N-alkylated analogues of levamisole with the aim of characterizing structure-activity relationships with regard...

  13. Titanium(III) chloride mediated synthesis of furan derivatives ...

    Indian Academy of Sciences (India)

    Administrator

    a radical-induced synthesis of substituted furans from α-bromo-β-keto enoleth- ers using tributyl tinhydride (TBTH) as the radical initiator with 35–69% yield. But the use of tin com- pounds has certain limitations due to their toxicity and difficulties in isolation of pure products free of tin residues. To overcome these difficulties ...

  14. A facile approach for the synthesis of indenoimidazole derivatives ...

    Indian Academy of Sciences (India)

    J. Chem. Sci. Vol. 128, No. 12, December 2016, pp. 1841–1847. c Indian Academy of Sciences. DOI 10.1007/s12039-016-1181-2. A facile approach for the synthesis of ... pounds 1 and 2 are presented here in terms of crystal engineering and supramolecular chemistry. ... zoles are heterocyclic organic compounds of wide.

  15. Synthesis and antibacterial activity of sulfonamide derivatives at C-8 ...

    Indian Academy of Sciences (India)

    showed higher antibacterial activity compared with standard drug ampicillin. Keywords. Synthesis ... factor-kB regulated gene products leading to potenti- ation of ... constituent of CNSL natural source to evaluate their biological activity by ... Analytical thin layer ..... cially available CNSL by a reported method.26 Accord-.

  16. The synthesis and biological activity of some bile acid derivatives

    International Nuclear Information System (INIS)

    Kadirov, A.Kh.; Khaydarov, K.Kh.; Giyosov, A.Sh.

    2000-01-01

    In this monograph authors present the modified technologic scheme of receiving of 3α, 7α, 12α-three hydro xi cholanic acid with using of available raw materials for the synthesis products and for receiving on its base drugs diluent cholesterol gallstones of gall-bladder and bile-ducts

  17. DEVELOPMENT OF CONTINUOUS SOLVENT EXTRACTION PROCESSES FOR COAL DERIVED CARBON PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Elliot Kennel; Chong Chen; Dady Dadyburjor; Mark Heavner; Manoj Katakdaunde; Liviu Magean; James Mayberry; Alfred Stiller; Joseph Stoffa; Christopher Yurchick; John Zondlo

    2009-12-31

    This NETL sponsored effort seeks to develop continuous technologies for the production of carbon products, which may be thought of as the heavier products currently produced from refining of crude petroleum and coal tars obtained from metallurgical grade coke ovens. This effort took binder grade pitch, produced from liquefaction of West Virginia bituminous grade coal, all the way to commercial demonstration in a state of the art arc furnace. Other products, such as crude oil, anode grade coke and metallurgical grade coke were demonstrated successfully at the bench scale. The technology developed herein diverged from the previous state of the art in direct liquefaction (also referred to as the Bergius process), in two major respects. First, direct liquefaction was accomplished with less than a percent of hydrogen per unit mass of product, or about 3 pound per barrel or less. By contrast, other variants of the Bergius process require the use of 15 pounds or more of hydrogen per barrel, resulting in an inherent materials cost. Second, the conventional Bergius process requires high pressure, in the range of 1500 psig to 3000 psig. The WVU process variant has been carried out at pressures below 400 psig, a significant difference. Thanks mainly to DOE sponsorship, the WVU process has been licensed to a Canadian Company, Quantex Energy Inc, with a commercial demonstration unit plant scheduled to be erected in 2011.

  18. Hydrotreatment of middle distillate derived from Australian brown coal (Part 1)

    Energy Technology Data Exchange (ETDEWEB)

    Miki, Keiji; Yamamoto, Yoshitaka; Saito, Ikuo; Sato, Yoshiki

    1987-12-20

    Analysis of the composition of liquefied brown coal and changes in composition of oil hydrogenated with 3 kinds of catalysts were studied. Distillates at b.p. 200/420/sup 0/C obtained by the liquefaction of Australian and Victorian brown coals were used as samples. The hydrodenitrogenation (HDN) rates of the hydrotreated oils were 60% for NiMo, 51.9% for CoMo and 57.8% for NiW. The oil from the first stage liquefaction contained phenols of about 21 wt% as its acidic components. In the autoclave treatment under the reaction temperature of 370/sup 0/C and hydrogen pressure of 100 kg/cm/sup 2/G for 1 hour reaction time, it was difficult with any of the catalysts to remove all the phenols. The HDN activities of the catalysts were in the sequence of NiMo>NiW>CoMo, and the phenol conversion rates were in the sequence of NiMo>CoMo>NiW. NiW was less active for hydrogenation and hydrodeoxygenation reaction of phenols in contrast with the high HDM activity. (2 figs, 6 tabs, 14 refs)

  19. Design and Synthesis of a Novel Class of Flavonoid Derivatives via Sequential Phosphorylation and its Application for Greener Nanoparticle Synthesis

    Science.gov (United States)

    Osonga, Francis Juma

    Flavonoids exhibit arrays of biological effects that are beneficial to humans, including anti-viral, anti-oxidative, anti-inflammatory and anti-carcinogenic effects. However, these applications have been hindered by their poor stability and solubility in common solvents. Consequently, there is significant interest in the modification of flavonoids to improve their solubility. This poor solubility is also believed to be responsible for its permeability and bioavailability. Hence the central goal of this work is to design synthetic strategies for the sequential protection of the -OH groups in order to produce phosphorylated quercetin and apigenin derivatives. This work is divided into two parts: the first part presents the design, synthesis, and characterization of novel flavonoid derivatives via global and sequential phosphorylation. The second part focuses on the application of the synthesized derivatives for greener nanoparticle synthesis. This work shows for the first time that sequential phosphorylation of Quercetin is feasible through the design of 4 new derivatives namely: 5,4'-O-Quercetin Diphosphate (QDPI), 4'-O-phosphate Quercetin (4'-QPI), 5,4'-Quercetin Diphosphate (5,4'-QDP) and monophosphate 4-QP. The synthesis of 4'-QP and 5, 4'-QDP was successful with 85% and 60.5% yields respectively. In addition, the progress towards the total synthesis of apigenin phosphate derivatives (7, 4'-ADP and 7-AP) is presented. The synthesized derivatives were characterized using 1H, 13C, and 31P NMR. The phosphorylated derivatives were subsequently explored as reducing agents for sustainable synthesis of gold, silver and copper nanoparticles. We have successfully demonstrated the photochemical synthesis of gold nanoplates of sizes ranging from 10 - 200 nm using water soluble QDP in the presence of sunlight. This work contributes immensely in promoting the ideals of green nanosynthesis by (i) eliminating the use of organic solvents in the nanosynthesis, (ii) exploiting the

  20. Studies on Synthesis of Pyrimidine Derivatives and their Pharmacological Evaluation

    Directory of Open Access Journals (Sweden)

    T. A. Naik

    2007-01-01

    Full Text Available 1,3,4-Oxadiazoles were associated with broad spectrum of biological activities including antituberculosis, anticonvulsant, anti-inflammatory, insecticidal, antifungal, analgesic and antitumor properties. Morpholine derivatives find their wide spectrum of antimicrobial activity and exhibit anthelmintic, bactericidal and insecticidal activity. Pyrimidine derivatives are also reported to possess antibacterial, antimicrobial, antifungal, anticancer and anticonvulsant activities. Encouraged by this observations we decided to synthesised novel pyrimidine derivatives.

  1. Synthesis and Antibacterial Screening of Novel Derivatives of Embelin

    Science.gov (United States)

    Subramanian, L.; Leema, M.; Pradeep, N. S.; Joy, B.; Pillai, Z. S.

    2018-02-01

    Embelin, a naturally occurring compound extracted from Embelia ribes is used in Ayurvedic system of medicine owing to its wide spectrum of biological activities. In the present work, we have aimed at improving the efficacy of Embelin by appropriate structural modifications. A few novel derivatives of Embelin have been prepared. The antibacterial screening of these derivatives were carried out and compared with a well known antibiotic, Streptomycin. The derivatives exhibited better activity than Streptomycin and the lead molecule, Embelin.

  2. synthesis and characterization of some poly functionalized heterocyclic derivatives of expected biological activity

    International Nuclear Information System (INIS)

    El-sayed, M.S.

    2001-01-01

    The present work was aimed and designed to fulfil The following objectives : 1- Continuation of the effort done by our research group in the field of chemistry of pyridinethione derivatives and their biological activities. 2- Synthesis of several new heterocyclic derivatives containing N and/or S using the laboratory available reagents. 3- Establishment of the structures of the newly synthesized heterocyclic compounds by the data of IR, 1 H-NMR, mass spectra in addition to the elemental analysis. 4- Synthesis of some of these heterocyclic derivatives via alternative routs and this used as a tool to confirm the structures of the newly synthesized heterocyclic derivatives. 5- study of the most probable mechanisms leading to the formation of the new heterocyclic derivatives. 6- The antimicrobial activity of some of the newly synthesized heterocyclic derivatives was tested against several types of organisms

  3. Synthesis and characterization of new polyamides derived from alanine and valine derivatives

    Directory of Open Access Journals (Sweden)

    El-Faham Ayman

    2012-11-01

    Full Text Available Abstract Background Many efforts have been recently devoted to design, investigate and synthesize biocompatible, biodegradable polymers for applications in medicine for either the fabrication of biodegradable devices or as drug delivery systems. Many of them consist of condensation of polymers having incorporated peptide linkages susceptible to enzymatic cleavage. Polyamides (PAs containing α-amino acid residues such as L-leucine, L-alanine and L-phenylalanine have been reported as biodegradable materials. Furthermore, polyamides (PAs derived from C10 and C14 dicarboxylic acids and amide-diamines derived from 1,6-hexanediamine or 1,12-dodecanediamine and L-phenylalanine, L-valyl-L-phenylalanine or L-phenylalanyl-L-valine residues have been reported as biocompatible polymers. We have previously described the synthesis and thermal properties of a new type of polyamides-containing amino acids based on eight new symmetric meta-oriented protected diamines derived from coupling of amino acids namely; Fomc-glycine, Fmoc-alanine, Fomc-valine and Fomc-leucine with m-phenylene diamine or 2,6-diaminopyridine. Results revealed that incorporation of pyridine onto the polymeric backbone of all series decreases the thermal stability. Here we describe another family of polyamides based on benzene dicarboxylic acid, pyridine dicarboxylic acid, and α-amino acid linked to benzidine and 4,4′-oxydianiline to study the effect of the dicarboxylic acid as well as the amino acids on the nature and thermal stability of the polymers. Results We report here the preparation of a new type of polyamides based on benzene dicarboxylic acid, pyridine dicarboxylic acid, and α-amino acid linked to benzidine and 4,4′-oxydianiline to study the effect of the dicarboxylic acid as well as the amino acids on the nature and thermal stability of polymers. The thermal properties of the polymers were evaluated by different techniques. Results revealed that structure-thermal property

  4. The effect of calcination conditions on the graphitizability of novel synthetic and coal-derived cokes

    Science.gov (United States)

    Bennett, Barbara Ellen

    The effects of calcination heating rate and ultimate calcination temperature upon calcined coke and subsequent graphitic material microstructures were studied for materials prepared from three different precursors. The pitch precursors used were Mitsubishi AR pitch (a synthetic, 100% mesophase pitch), the NMP-extracted portion of a raw coal, and the NMP-extracted fraction of a coal liquefaction residue obtained from an HTI pilot plant. These materials were all green-coked under identical conditions. Optical microscopy confirmed that the Mitsubishi coke was very anisotropic and the HTI coke was nearly as anisotropic. The coke produced from the direct coal extract was very isotropic. Crystalline development during calcination heating was verified by high-temperature x-ray diffraction. Experiments were performed to ascertain the effects of varying calcination heating rate and ultimate temperature. It was determined that calcined coke crystallite size increased with increasing temperature for all three materials but was found to be independent of heating rate. The graphene interplanar spacing decreased with increasing temperature for the isotropic NMP-extract material but increased with increasing temperature for the anisotropic materials---Mitsubishi and HTI cokes. Graphene interplanar spacing was also found to be independent of heating rate. Calcined coke real densities were, likewise, found to be independent of heating rate. The anisotropic cokes (Mitsubishi and HTI) exhibited increasing real density with increasing calcination temperature. The NMP-extract coke increased in density up to 1050°C and then suffered a dramatic reduction in real density when heated to 1250°C. This is indicative of puffing. Since there was no corresponding disruption in the crystalline structure, the puffing phenomena was determined to be intercrystalline rather than intracrystalline. After the calcined cokes were graphitized (under identical conditions), the microstructures were re

  5. Direct Synthesis of ESBO Derivatives-18O Labelled with Dioxirane

    Directory of Open Access Journals (Sweden)

    Stefano La Tegola

    2013-01-01

    Full Text Available This work addresses a new approach developed in our laboratory, consisting in the application of isolated dimethyldioxirane (DDO, 1a labelled with 18O for synthesis of epoxidized glyceryl linoleate (Gly-LLL, 2. We expect that this work could contribute in improving analytical methods for the determination of epoxidized soybean oil (ESBO in complex food matrices by adopting an 18O-labelled-epoxidized triacylglycerol as an internal standard.

  6. Direct Synthesis of ESBO Derivatives-18O Labelled with Dioxirane

    OpenAIRE

    La Tegola, Stefano; Annese, Cosimo; Suman, Michele; Tommasi, Immacolata; Fusco, Caterina; D'Accolti, Lucia

    2013-01-01

    This work addresses a new approach developed in our laboratory, consisting in the application of isolated dimethyldioxirane (DDO, 1a) labelled with 18O for synthesis of epoxidized glyceryl linoleate (Gly-LLL, 2). We expect that this work could contribute in improving analytical methods for the determination of epoxidized soybean oil (ESBO) in complex food matrices by adopting an 18O-labelled-epoxidized triacylglycerol as an internal standard.

  7. SYNTHESIS OF BIS-QUINOXALINE DERIVATIVES USING TONSIL ...

    African Journals Online (AJOL)

    A convenient and efficient synthesis of new bis-quinoxaline is described, involving ... the following composition (in %): SiO2: 74.5, Al2O3: 9.3, MgO: 0.4, Fe2O3: 1.3, CaO: 4.0, K2O: 0.4 and .... Tonsil clay is a nanoparticle with layered structure.

  8. DEVELOPMENT OF CONTINUOUS SOLVENT EXTRACTION PROCESSES FOR COAL DERIVED CARBON PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Elliot B. Kennel; Quentin C. Berg; Stephen P. Carpenter; Dady Dadyburjor; Jason C. Hissam; Manoj Katakdaunde; Liviu Magean; Abha Saddawi; Alfred H. Stiller; John W. Zondlo

    2006-03-07

    The purpose of this DOE-funded effort is to develop continuous processes for solvent extraction of coal for the production of carbon products. The largest applications are those which support metals smelting, such as anodes for aluminum smelting and electrodes for arc furnaces. Other carbon products include materials used in creating fuels for the Direct Carbon Fuel Cell, metals smelting, especially in the aluminum and steel industries, as well as porous carbon structural material referred to as ''carbon foam'' and carbon fibers. During this reporting period, efforts have focused on the development of carbon electrodes for Direct Carbon Fuel Cells (DCFC), and on carbon foam composites used in ballistic armor, as well as the hydrotreatment of solvents used in the basic solvent extraction process. A major goal is the production of 1500 pounds of binder pitch, corresponding to about 3000 pounds of hydrotreated solvent.

  9. Effects of coal-derived trace species on the performance of molten carbonate fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Pigeaud, A.

    1991-10-01

    The overall objective of the present study was to determine in detail the interaction effects of 10 simultaneously present, coal-gas contaminants, both on each other and on components of the Carbonate Fuel Cell. The primary goal was to assess underlying chemistries and reaction mechanisms which may cause decay in fuel cell performance or endurance as a result of both physics-chemical and/or mechanical interactions with the cell components and internal fuel cell parts. It was found, both from theory and cell test evidence, that trace contaminant interactions may occur with: Fuel-cell Electrodes (e.g., in this study with the Ni-anode), Lithium/Potassium Carbonate Electrolyte, Nickel and SS-Hardware, and by Mechanical Obstruction of Gas Flow in the Anode Plenum.

  10. Synthesis of derivatives of tetronic acid and pulvinic acid. Total synthesis of norbadione A

    International Nuclear Information System (INIS)

    Mallinger, A.

    2008-11-01

    When vegetables like mushrooms are contaminated by radioactive caesium 137, this radioactive caesium is associated to norbadione A, a natural pigment present in two mushroom species and which can be used as a caesium decorporation agent or maybe as protection agent against ionizing radiations. Within this perspective, this research report describes the biosynthesis and the structure and properties of the norbadione A and of pulvinic acids (physicochemical properties, anti-oxidizing properties). Then, it presents the various tetronic acids (3-acyl-, 3-alkyl-, 3-alkoxy-, 3-aryl-tetronic acids and non 3-substituted tetronic acids), their synthesis path as they are described in the literature, and presents a new synthesis approach using a tandem reaction (with different esters or hydroxy esters) and the synthesis of tetronic acids. The author also proposes a new synthesis way for methyl pulvinates, and finally reports the work on the development of a total synthesis of the norbadione A

  11. Synthesis and Antimicrobial Activities of Some Novel Quinoxalinone Derivatives

    Directory of Open Access Journals (Sweden)

    Y. A. Ammar

    2000-06-01

    Full Text Available Condensation of 4-benzoyl-1,2-phenylenediamine with sodium pyruvate in acetic acid furnished two products which were identified as 6-benzoyl and 7-benzoyl-3-methyl-2(1Hquinoxalinones (1a,b. Fusion of 1a with aromatic aldehydes furnished the styryl derivatives 2a-c. Alkylation of 1a,b with dimethyl sulphate or ethyl chloroacetate produced the N-alkyl derivatives 3a,b and 4a,b. Hydrazinolysis of the ester derivative 4a with hydrazine hydrate afforded the hydrazide derivative 5 which underwent condensation with aldehydes to give the corresponding hydrazone derivatives 6a,b. In addition, chlorination of 1a with thionyl chloride afforded the 2-chloro derivative 7 which was subjected to reaction with sodium azide and n-butylamine to yield the corresponding tetrazolo (8 and n-butylamino (9 derivatives, respectively. The structures of the compounds prepared were confirmed by analytical and spectral data. Also, some of the synthesized compounds were screened for antimicrobial activity.

  12. Synthesis of substituted 1-metallyl derivatives of o- and m-carboranes and some their transformations

    International Nuclear Information System (INIS)

    Kovredov, A.I.; Shemyakin, N.F.; Zakharkin, L.I.

    1985-01-01

    Synthesis of 1-metallyl substituted o- and m- carbonates is carried out, and alkylation of benzene by them is investigated. Synthesis with 30-95% yield has been carried out by the reaction of lithium derivatives with metallylchloride in the ester-benzene solution. The reaction of benzene alkylation is studied in the presence of aluminium chloride and H 2 SO 4 . Reaction mechanisms are considered

  13. Synthesis Of 2- (1- Naphthyl) Ethanoic Acid ( Plant Growth Regulator ) From Coal Tar And Its Application

    International Nuclear Information System (INIS)

    Khin Mooh Theint; Tin Myint Htwe

    2011-12-01

    Plant growth regulators, which are commonly called as plant hormones, naturally produced non-nutrient chemical compounds involved in growth and development. Among the various kinds of plant growth regulators, 2- (1- Naphthyl ) ethanoic acid especially encourages the root development of the plant. In this work, NAA was successfuly synthesized from naphthalene which was extracted from coal tar. The purity of naphthalene, -Chloromethyl naphthalene, -Naphthyl acetonitrile, - Naphthyl acetic acid or 2 - ( 1-Naphthyl ) ethanoic acid were also confirmed by Thin Layer Chromatography, and by spectroscopy methods. The yield percent of NAA based on naphthalene was found to be 2.1%. The yield percent of naphthaleneFrom coal tar is found to be 4.09%. The effect of NAA on root development was also studied in different concentrations of soy bean (Glycine max)and cow pea (Vigna catjang walp).

  14. Synthesis and Antimicrobial Activity of Some New Formazan Derivatives

    Directory of Open Access Journals (Sweden)

    S. I. Marjadi

    2009-01-01

    Full Text Available A series of new substituted formazan derivatives has been synthesized from corresponding aryl diazonium chloride and Schiff base in pyridine. The synthesized compounds were identified by spectral studies and screened for their antimicrobial activities.

  15. Synthesis, characterization and antibacterial activity of new fluorescent chitosan derivatives

    Czech Academy of Sciences Publication Activity Database

    Přichystalová, H.; Almonasy, N.; Abdel-Mohsen, A. M.; Abdel-Rahman, R. M.; Fouda, M. M. G.; Vojtova, L.; Kobera, Libor; Spotz, Z.; Burgert, L.; Jancar, J.

    2014-01-01

    Roč. 65, April (2014), s. 234-240 ISSN 0141-8130 Institutional support: RVO:61389013 Keywords : chitosan derivatives * fluorescence * antibacterial activity Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.858, year: 2014

  16. Synthesis of some new derivatives of thiazolopyrimidines and ...

    Indian Academy of Sciences (India)

    In addition, a new series of thiazole-fused pyrimidines were synthesized and hydrolysis of one of its arylidene derivative studied. ..... ondary amines like morpholine, piperidine and pyrro- ..... Biginelli one pot cyclo-condensation reaction.21 The.

  17. Synthesis of ruthenium (III) complexes with benzimidazole derivatives

    International Nuclear Information System (INIS)

    Vyas, P.C.; Chahar, Yogesh K.; Garg, Yajula; Seth, Gita

    2003-01-01

    Complexes of ruthenium with biologically important benzimidazole derivatives, viz. 2-(2'-hydroxyphenyl) benzimidazole (HOPBI), 2-2'- mercaptophenyl) benzimidazole (HSPBI), 2- (2'-hydroxynaphthyl) benzimidazole (HONBI) have been synthesized and characterized. (author)

  18. Allobetulin and Its Derivatives: Synthesis and Biological Activity

    Directory of Open Access Journals (Sweden)

    Talgat S. Seitembetov

    2011-03-01

    Full Text Available This review covers the chemistry of allobetulin analogs, including their formation by rearrangement from betulin derivatives, their further derivatisation, their fusion with heterocyclic rings, and any further rearrangements of allobetulin compounds including ring opening, ring contraction and ring expansion reactions. In the last part, the most important biological activities of allobetulin derivatives are listed. One hundred and fifteen references are cited and the relevant literature is covered, starting in 1922 up to the end of 2010.

  19. Synthesis and Antibacterial Activities of New Metronidazole and Imidazole Derivatives

    Directory of Open Access Journals (Sweden)

    Abdul Jabar Kh. Atia

    2009-07-01

    Full Text Available New imidazole ring derivatives comprising 1,3-oxazoline, Schiff's bases, thiadiazole, oxadiazole and 1,2,4-triazole moieties are reported. 3-Aminobiimidazol-4-one compounds 7a-c were synthesized by the reaction of compounds 6a-c with hydrazine hydrate. Biimidazole esters 9a-c were converted into biimidazole hydrazide esters 10a-c. Compounds 7a-c and 10a-c were converted into a variety of derivatives.

  20. Zeolite A synthesis employing a brazilian coal ash as the silicon and aluminum source and its applications in adsorption and pigment formulation

    Directory of Open Access Journals (Sweden)

    Lindiane Bieseki

    2012-01-01

    Full Text Available Zeolite A was synthesized using the coal ash from Siderópolis/RS - Brazil. The synthesis was based on a standard IZA synthesis using coal ash as the Si and Al source. XRF analysis showed that the coal ash has a Si/Al ratio of 1.52, which is close to the Si/Al ratio required to produce zeolite A (1.0. The synthesized materials were analyzed by XRD, SEM and N2 adsorption. More crystalline materials were obtained during synthesis when an additional treatment was applied at a temperature of 353 K at the dissolution of NaOH step. The product formed after 4 hours was the most crystalline, but even the product formed after 1 hour proved to be better than that formed using the standard 4 hours IZA synthesis. The zeolites synthesized by this method had an adsorption capacity of 120 mg.g-1 for Ca2+, half the capacity of commercial zeolite A (300 mg.g-1. It was not possible to obtain blue or green pigments using the synthesized zeolite A.

  1. Integrated Warm Gas Multicontaminant Cleanup Technologies for Coal-Derived Syngas

    Energy Technology Data Exchange (ETDEWEB)

    Turk, Brian; Gupta, Raghubir; Sharma, Pradeepkumar; Albritton, Johnny; Jamal, Aqil

    2010-09-30

    One of the key obstacles for the introduction of commercial gasification technology for the production of power with Integrated Gasification Combined Cycle (IGCC) plants or the production of value added chemicals, transportation fuels, and hydrogen has been the cost of these systems. This situation is particularly challenging because the United States has ample coal resources available as raw materials and effective use of these raw materials could help us meet our energy and transportation fuel needs while significantly reducing our need to import oil. One component of the cost of these systems that faces strong challenges for continuous improvement is removing the undesirable components present in the syngas. The need to limit the increase in cost of electricity to < 35% for new coal-based power plants which include CO{sub 2} capture and sequestration addresses both the growing social concern for global climate change resulting from the emission of greenhouse gas and in particular CO{sub 2} and the need to control cost increases to power production necessary to meet this social objective. Similar improvements to technologies for trace contaminants are getting similar pressure to reduce environmental emissions and reduce production costs for the syngas to enable production of chemicals from coal that is cost competitive with oil and natural gas. RTI, with DOE/NETL support, has been developing sorbent technologies that enable capture of trace contaminants and CO{sub 2} at temperatures above 400 °F that achieve better capture performance, lower costs and higher thermal efficiency. This report describes the specific work of sorbent development for mercury (Hg), arsenic (As), selenium (Se), cadmium (Cd), and phosphorous (P) and CO{sub 2} removal. Because the typical concentrations of Hg, As, Se, Cd, and P are less than 10 ppmv, the focus has been on single-use sorbents with sufficient capacity to ensure replacement costs are cost effective. The research in this

  2. A facile synthesis of phenazine and quinoxaline derivatives using magnesium sulfate heptahydrate as a catalyst

    Directory of Open Access Journals (Sweden)

    BAHADOR KARAMI

    2011-09-01

    Full Text Available Convenient and simple procedures for the synthesis of phenazine and quinoxaline derivatives were developed via a reaction of o-phenylenediamines and 1,2-dicarbonyl compounds. In addition, the synthesis of two new 1,4-benzodiazine derivatives and the catalytic activity of magnesium sulfate heptahydrate (MgSO4·7H2O in the room temperature condensation of o-phenylenediamines and 1,2-dicarbonyl compounds in ethanol as solvent are reported. This method has many appealing attributes, such as excellent yields, short reaction times, and simple work-up procedures.

  3. A green protocol for the synthesis of quinoxaline derivatives catalyzed by polymer supported sulphanilic acid

    Directory of Open Access Journals (Sweden)

    Umesh P. Tarpada

    2017-05-01

    Full Text Available Polymer supported sulphanilic acid was found to be an effective heterogeneous catalyst for one pot synthesis of various quinoxaline derivatives from the condensation reaction between 1,2-diamines and 1,2-dicarbonyl compounds in ethanol. Synthesis was attempted under reflux as well as at room temperature using ethanol as the solvent to afford excellent yields. Heterogeneity of the catalyst allowed its recycling for five times with almost retention in catalytic activity. Prepared quinoxaline derivatives were also tested for their antioxidant activity by the FRAP assay method.

  4. Coal combustion technology in China

    International Nuclear Information System (INIS)

    Huang, Z.X.

    1994-01-01

    Coal is the most important energy source in China, the environmental pollution problem derived from coal burning is rather serious in China. The present author discusses coal burning technologies both in boilers and industrial furnaces and their relations with environmental protection problems in China. The technological situations of Circulating Fluidized Bed Coal Combustor, Pulverized Coal Combustor with Aerodynamic Flame Holder and Coal Water Slurry Combustion have been discussed here as some of the interesting problems in China only. (author). 3 refs

  5. Development of Continuous Solvent Extraction Processes For Coal Derived Carbon Products

    Energy Technology Data Exchange (ETDEWEB)

    Elliot B. Kennel; Dady B. Dadyburjor; Gregory W. Hackett; Manoj Katakdaunde; Liviu Magean; Alfred H. Stiller; Robert C. Svensson; John W. Zondlo

    2006-09-30

    In this reporting period, tonnage quantities of coal extract were produced but solid separation was not accomplished in a timely manner. It became clear that the originally selected filtration process would not be effective enough for a serious commercial process. Accordingly, centrifugation was investigated as a superior means for removing solids from the extract. Results show acceptable performance. Petrographic analysis of filtered solids was carried out by R and D Carbon Petrography under the auspices of Koppers and consultant Ken Krupinski. The general conclusion is that the material appears to be amenable to centrifugation. Filtered solids shows a substantial pitch component as well as some mesophase, resulting in increased viscosity. This is likely a contributing reason for the difficulty in filtering the material. Cost estimates were made for the hydotreatment and digestion reactors that would be needed for a 20,000 ton per year demonstration plants, with the aid of ChemTech Inc. The estimates show that the costs of scaling up the existing tank reactors are acceptable. However, a strong recommendation was made to consider pipe reactors, which are thought to be more cost effective and potentially higher performance in large scale systems. The alternate feedstocks for coke and carbon products were used to fabricate carbon electrodes as described in the last quarterly report. Gregory Hackett successfully defended his MS Thesis on the use of these electrodes in Direct Carbon Fuel Cell (DCFC), which is excerpted in Section 2.4 of this quarterly report.

  6. Synthesis and Spectral Study of Novel Norfloxacin Derivatives

    Directory of Open Access Journals (Sweden)

    Pradeep Yadav

    2008-01-01

    Full Text Available Reaction of [1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl-quinolone-3-carboxylic acid (norfloxacin with thiazole / benzothiazole diazonium chloride to get new piperazine substituted norfloxacin derivative. These norfloxacin derivatives were further condensed with various β-diketone to get novel acid derivatives of 1-Ethyl-6-fluoro-4-oxo-7- [4 (thiazol-2-yldiazenyl-piperzin-1-yl]-1,4-dihydro-quinoline-3-carboxylic acid (6a-e and 7-(4-(benzo[d]thiazol-2-yldiazenylpiperazin-1-yl-1-ethyl-6-fluoro-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid (6 f-j. Structures of these compounds were established on the basis of spectral studies viz. IR, 1H NMR etc.

  7. Design, Synthesis and Insecticidal Activity of Novel Phenylurea Derivatives

    Directory of Open Access Journals (Sweden)

    Jialong Sun

    2015-03-01

    Full Text Available A series of novel phenylurea derivatives were designed and synthesized according to the method of active groups linkage and the principle of aromatic groups bioisosterism in this study. The structures of the novel phenylurea derivatives were confirmed based on ESI-MS, IR and 1H-NMR spectral data. All of the compounds were evaluated for the insecticidal activity against the third instars larvae of Spodoptera exigua Hiibner, Plutella xyllostella Linnaeus, Helicoverpa armigera Hubner and Pieris rapae Linne respectively, at the concentration of 10 mg/L. The results showed that all of the derivatives displayed strong insecticidal activity. Most of the compounds presented higher insecticidal activity against S. exigua than the reference compounds tebufenozide, chlorbenzuron and metaflumizone. Among the synthesized compounds, 3b, 3d, 3f, 4b and 4g displayed broad spectrum insecticidal activity.

  8. Synthesis, characterization and photophysical properties of ESIPT reactive triazine derivatives

    International Nuclear Information System (INIS)

    Kuplich, Marcelo D.; Grasel, Fabio S.; Campo, Leandra F.; Rodembusch, Fabiano S.; Stefani, Valter

    2012-01-01

    Four new reactive fluorescent triazine derivatives were obtained from nucleophilic aromatic substitution of cyanuric chloride. The compounds were characterized by infrared spectroscopy (IR), nuclear magnetic resonance ( 13 C and 1 H NMR) and high resolution mass spectrometry (HRMS MALDI). UV-Vis and steady-state fluorescence (in solution and in solid state) spectroscopies were also applied to characterize the photophysical behavior. The dyes are fluorescent by an intramolecular proton transfer mechanism (ESIPT) in the blue-orange region, with a large Stokes shift between 6365-10290 cm-1. The fluorescent cyanuric derivatives could successfully react with cellulose fibers to give new fluorescent cellulosic materials. (author)

  9. Synthesis and anticandidal activity of some imidazopyridine derivatives.

    Science.gov (United States)

    Kaplancikli, Zafer Asim; Turan-Zitouni, Gülhan; Ozdemir, Ahmet; Revial, Gilbert

    2008-12-01

    New hydrazide derivatives of imidazo[1,2-a]pyridine have been synthesized and evaluated for anticandidal activity. The reaction of imidazo[1,2-a]pyridine-2-carboxylic acid hydrazides with various benzaldehydes gave N-(benzylidene)imidazo[ 1,2-a]pyridine-2-carboxylic acid hydrazide derivatives. Their anticandidal activities against Candida albicans and Candida glabrata (isolates obtained from Osmangazi University, Faculty of Medicine, Eskisehir, Turkey), Candida albicans (ATCC 90028), Candida utilis (NRLL Y-900), Candida tropicalis (NRLL Y-12968), Candida krusei (NRLL Y-7179), Candida zeylanoides (NRLL Y-1774), and Candida parapsilosis (NRLL Y-12696) were investigated.

  10. Synthesis and biological evaluation of 2-substituted benzimidazole derivatives

    Directory of Open Access Journals (Sweden)

    Gurusamy Mariappan

    2015-09-01

    Full Text Available A novel series of 2-substituted benzimidazole derivatives (3a–3j were synthesized by the reaction of 2-chloro methyl benzimidazole with substituted primary aromatic amines. All the compounds were characterized by UV, IR, 1H NMR, mass spectral data and CHN elemental analysis. The synthesized derivatives were screened for analgesic and anti-inflammatory activities. All the compounds showed significant effect at 100 mg/kg p.o. and the experimental data are statistically significant at p < 0.01 level.

  11. Synthesis and antimalarial evaluation of novel isocryptolepine derivatives.

    Science.gov (United States)

    Whittell, Louise R; Batty, Kevin T; Wong, Rina P M; Bolitho, Erin M; Fox, Simon A; Davis, Timothy M E; Murray, Paul E

    2011-12-15

    A series of mono- and di-substituted analogues of isocryptolepine have been synthesized and evaluated for in vitro antimalarial activity against chloroquine sensitive (3D7) and resistant (W2mef) Plasmodium falciparum and for cytotoxicity (3T3 cells). Di-halogenated compounds were the most potent derivatives and 8-bromo-2-chloroisocryptolepine displayed the highest selectivity index (106; the ratio of cytotoxicity (IC(50)=9005 nM) to antimalarial activity (IC(50)=85 nM)). Our evaluation of novel isocryptolepine compounds has demonstrated that di-halogenated derivatives are promising antimalarial lead compounds. Copyright © 2011 Elsevier Ltd. All rights reserved.

  12. Synthesis, Optical Properties and Applications for New Trianguleniums Derivatives

    DEFF Research Database (Denmark)

    Santella, Marco

    The development of new types of emissive organic dyes is an exciting area of research due to the applicability of these compounds in a wide range of disciplines. Cationic triangulenium salts are highly stable carbenium ions with a planar conformation. The convenient and versatile synthetic proced...... focused on the synthesis of thioether para substituted dyes, where the reactivity of various para-methoxy substituted propeller shaped cations towards different alkyl thiols was examined. Furthermore, ringclosure reactions of these thioether bearing propellers in order to obtain trioxa...... structures. These dyes possess excellent emissive properties with possible applications as cell staining agents or as fluorescent probes. Lastly, I focused on the use of triangulenes as binding group for molecular electronics. It has been shown that TATA can form self-assembled monolayers (SAMs) on a gold...

  13. Synthesis of a phosphorothioate derivative of flavin mononucleotide

    International Nuclear Information System (INIS)

    Calhoun, J.P.; Miziorko, H.M.; Otvos, J.D.; Masters, B.S.S.

    1987-01-01

    The synthesis of riboflavin-5'-phosphorothioate (5'-FMNS), an analog of riboflavin-5'-phosphate (FMN), is described. 5'-FMNS is produced from the alkaline hydrolysis of riboflavin-4',5'-cyclic phosphorothioate (cFMNS). The cyclic phosphorothioate is produced upon reaction of riboflavin with thiophosphoryl chloride in trimethyl phosphate. The phosphorothioate compounds have been characterized by 13 C and 31 P NMR and the purified 5'-FMNS is isolated by preparative HPLC. Preliminary results indicate that this analog of FMN is capable of replacing FMN in at least on flavoprotein, NADPH-cytochrome P-450 reductase, and is competent in reconstituting the cytochrome c reductase activity of this enzyme. Full characterization of this derivatized flavoprotein is in progress

  14. Synthesis and radiation resistance of fullerenes and fullerene derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Shilin, V. A., E-mail: shilin@pnpi.spb.ru; Lebedev, V. T.; Sedov, V. P.; Szhogina, A. A. [St. Petersburg Nuclear Physics Institute, National Research Centre “Kurchatov Institute” (Russian Federation)

    2016-07-15

    The parameters of an electric-arc facility for the synthesis of fullerenes and endohedral metallofullerenes are optimized. The resistance of C{sub 60} and C{sub 70} fullerenes and C{sub 60}(OH){sub 30} and C{sub 70}(OH){sub 30} fullerenols against neutron irradiation is studied. It is established that the radiation resistance of the fullerenes is higher than that of the fullerenols, but the radiation resistance of the Gd@C{sub 2n} endometallofullerenes is lower than that of the corresponding Gd@C{sub 2n}(OH){sub 38} fullerenols. The radiation resistance of mixtures of Me@C{sub 2n}(OH){sub 38} (Me = Gd, Tb, Sc, Fe, and Pr) endometallofullerenes with C{sub 60}(OH){sub 30} is determined. The factors affecting the radiation resistance of the fullerenes and fullerenols are discussed.

  15. Novel synthesis of a strained para-cyclophane derivative

    Institute of Scientific and Technical Information of China (English)

    Zhi Hao Shi; Yun Yang Wei

    2007-01-01

    A [P. Rajakumar, A.M.A. Rasheed, Tetrahedron 61(22) (2005) 5351] para-cyclophane derivative was synthesized via intramolecular esterification of a dipeptide surrogate containing asparagine to form tetrahydropyrimidinone ring. The structures of the product and intermediates were characterized by 1H NMR, 13C NMR and mass spectrum.

  16. Clean and Efficient Synthesis of Isoxazole Derivatives in Aqueous Media

    Directory of Open Access Journals (Sweden)

    Daqing Shi

    2013-11-01

    Full Text Available A series of 5-arylisoxazole derivatives were synthesized via the reaction of 3-(dimethyl-amino-1-arylprop-2-en-1-ones with hydroxylamine hydrochloride in aqueous media without using any catalyst. This method has the advantages of easier work-up, mild reaction conditions, high yields, and an environmentally benign procedure.

  17. Synthesis and biological evaluation of vinylogous combretastatin A-4 derivatives.

    Science.gov (United States)

    Kaffy, Julia; Pontikis, Renée; Florent, Jean-Claude; Monneret, Claude

    2005-07-21

    Stereospecific syntheses of the Z-E and E-Z vinylogues of combretastatin A-4, and two B-ring related analogues, were achieved through a Suzuki-Miyaura coupling. As compared to CA4, the derivative with a phenyl moiety has shown increased potency in its ability to inhibit tubulin polymerisation.

  18. Synthesis of Novel Ferrocenyl-containing Thiazole Derivatives

    Institute of Scientific and Technical Information of China (English)

    Ling SHAO; Yan HU; Xin ZHOU; Zhong JIN; Jian Bing LIU; Jian Xin FANG

    2006-01-01

    Novel ferrocenyl-containing thiazole derivatives have been synthesized from 2-amino-4-ferrocenyl-5-(1H-1, 2, 4-triazole-1-yl)thiazole and acyl chloride. And their structures were determined by 1H NMR and elemental analysis.

  19. Synthesis and Biological Activity Evaluation of Novel Heterocyclic Pleuromutilin Derivatives

    Directory of Open Access Journals (Sweden)

    Yunpeng Yi

    2017-06-01

    Full Text Available A series of pleuromutilin derivatives were synthesized by two synthetic procedures under mild reaction conditions and characterized by Nuclear Magnetic Resonance (NMR, Infrared Spectroscopy (IR, and High Resolution Mass Spectrometer (HRMS. Most of the derivatives with heterocyclic groups at the C-14 side of pleuromutilin exhibited excellent in vitro antibacterial activities against Staphylococcus aureus, methicillin-resistant Staphylococcus aureus (MRSA, methicillin-resistant Staphylococcus epidermidis (MRSE, and vancomycin-resistant Enterococcus (VRE in vitro antibacterial activity. The synthesized derivatives which contained pyrimidine rings, 3a, 3b, and 3f, displayed modest antibacterial activities. Compound 3a, the most active antibacterial agent, displayed rapid bactericidal activity and affected bacterial growth in the same manner as that of tiamulin fumarate. Moreover, molecular docking studies of 3a and lefamulin provided similar information about the interactions between the compounds and 50S ribosomal subunit. The results of the study show that pyrimidine rings should be considered in the drug design of pleuromutilin derivatives.

  20. Purine derivative excretion and microbial protein synthesis in sheep ...

    African Journals Online (AJOL)

    In a 3 x 3 Latin square design experiment, urinary excretions of purine derivatives (allantoin N, Uric acid N, Xanthine + Hypoxanthine N) were measured and used to estimate microbial N yield in 9 sheep fed roughage- based diet supplemented with 0, 150 and 300g DM grass silage respectively. Daily urinary excretions of ...

  1. Synthesis of the new derivatives of alkaloid glaucine

    International Nuclear Information System (INIS)

    Mukusheva, G.K.; Zhumagalieva, Zh.Zh.; Turmukhambetov, A.Zh.; Kazantsev, A.V.

    2005-01-01

    On the basis of aporphine alkaloid glaucine by reactions of halogenation, amino-methylation, acetylation and with esters of boronic acid new derivatives of glaucine were synthesized. The structures of obtained compounds were determined on basis of IR, 13 C, 1 H, 11 B NMR spectral data

  2. Synthesis and anticancer evaluation of (-1)- aretigenin derivatives

    International Nuclear Information System (INIS)

    Xu, Y.; Chen, G.

    2014-01-01

    Seven (-)-arctigenin derivatives 1-7 were designed and synthesized by using Mannich and acylation methods to improve the activity and bioavailability of (-)-arctigenin. Structures of compounds 1-7 were elucidated on the basis of spectroscopic analysis and chemical evidence. Anticancer activity of these compounds on SGC7901 was assayed in vitro. (author)

  3. Synthesis and anticancer evaluation of (-1)- aretigenin derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Y.; Chen, G. [Liaoning Univ. of Traditional Chinese Medicine, Dalian (China)

    2014-10-15

    Seven (-)-arctigenin derivatives 1-7 were designed and synthesized by using Mannich and acylation methods to improve the activity and bioavailability of (-)-arctigenin. Structures of compounds 1-7 were elucidated on the basis of spectroscopic analysis and chemical evidence. Anticancer activity of these compounds on SGC7901 was assayed in vitro. (author)

  4. Synthesis of Phthalimide Derivatives as Potential PPAR-γ Ligands

    Directory of Open Access Journals (Sweden)

    So Hyeon Eom

    2016-06-01

    Full Text Available Paecilocin A, a phthalide derivative isolated from the jellyfish-derived fungus Paecilomyces variotii, activates PPAR-γ (Peroxisome proliferator-activated receptor gamma in rat liver Ac2F cells. Based on a SAR (Structure-activity relationships study and in silico analysis of paecilocin A-mimetic derivatives, additional N-substituted phthalimide derivatives were synthesized and evaluated for PPAR-γ agonistic activity in both murine liver Ac2F cells and in human liver HepG2 cells by luciferase assay, and for adipogenic activity in 3T3-L1 cells. Docking simulation indicated PD6 was likely to bind most strongly to the ligand binding domain of PPAR-γ by establishing crucial H-bonds with key amino acid residues. However, in in vitro assays, PD1 and PD2 consistently displayed significant PPAR-γ activation in Ac2F and HepG2 cells, and adipogenic activity in 3T3-L1 preadipocytes.

  5. Synthesis of water soluble photo-initiators of thioxanthone derivatives

    International Nuclear Information System (INIS)

    Qi Guozhen; Wang Jindi; Lin Yiqing

    1999-01-01

    Eight new photo-initiators of water-soluble thioxanthone derivatives were prepared. These compounds were identified by IR, NMR, MS and elemental analysis etc. The UV absorption wavelength, molar absorption coefficient and fluorescent quantum yield were determined. Furthermore, the relationship between structure and properties was discussed

  6. Synthesis of water soluble photo-initiators of thioxanthone derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Guozhen, Qi; Jindi, Wang; Yiqing, Lin [Inst. of Fine Chemicals ECUST, Shanghai (China)

    1999-07-01

    Eight new photo-initiators of water-soluble thioxanthone derivatives were prepared. These compounds were identified by IR, NMR, MS and elemental analysis etc. The UV absorption wavelength, molar absorption coefficient and fluorescent quantum yield were determined. Furthermore, the relationship between structure and properties was discussed.

  7. Synthesis of azido derivatives of mucobromic acid | D. Jumbam ...

    African Journals Online (AJOL)

    Mucobromic acid is a highly reactive multicentered molecule. It was converted to its corresponding but unstable diazido derivative by reaction with two equivalents of sodium azide. The resultant 3,4-diazido-5-hydroxyfuran-2(5H)-one was obtained in moderate yield (42%) but decomposed readily even at low temperatures.

  8. Synthesis on coal gases: exploitation, risks and impacts on the environment

    International Nuclear Information System (INIS)

    Bonijoly, D.; Fabriol, H.; Bazargan, B.; Defossez, P.; Lary, L. de; Leynet, A.; Schumacher, J.P.; Didier, C.; Andres, S.; Bonnard, R.; Lahaie, F.; Pokryszka, Z.

    2013-10-01

    After some generalities on coal gas (origin, fracturing, classification, present production in the world, regulatory obligations), this report proposes an overview of present extraction methods and techniques and a simplified analysis of risks and impacts on the environment. It distinguishes between accidental risks (leakages in different locations or components, uncontrolled gas migration), environmental impacts (on water, air quality, soil quality, health, and ecosystems, and greenhouse gas emissions), and other pollutions (traffic, noise, land use, induced seismicity, underground fires). Perspectives for research are discussed in terms of lacks of knowledge, scientific, technical and financial deadlocks

  9. Chemistry and structure of coal-derived asphaltenes, Phase III. Quarterly progress report, April--June 1978

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T. F.

    1978-01-01

    Solubility parameters may be calculated for coal liquid derived products by use of a semi-empirical relationship between solubility parameter and refractive index. Thermal treatment of Synthoil coal liquid oil + resin solvent fraction at 235 to 300/sup 0/C resulted in the transformation of oil and resin into asphaltene. Further support of structural characterizations was obtained by use of a combined x-ray and NMR structural characterization procedure which relies on the important x-ray structural parameter L/sub a/ (average layer diameter of the aromatic sheet). L/sub a/ values of approx. = 8 to 10 A for asphaltenes, approx. = 13.4 to 14 A for carbenes, and approx. = 14 to 16.5 A for carboids were obtained by the x-ray procedure. These data were used to calculate C/sub Au/ (aromatic carbons per structural unit) and N (number of structural units per molecule) values. For asphaltenes the results agree with those previously deduced from NMR and other techniques. The C/sub Au/ values are generally close to 14 which is the number of aromatic carbons present in a 3-ring kata-system such as anthracene or phenanthrene. The number of structural units per molecule is close to two for all the asphaltenes. Additional data were used to improve the correlation equation between weight percent OH, determined by the silylation method, and the absorbance of the monomeric OH infrared stretching band at 3600 cm/sup -1/ for asphaltenes. A similar correlation between weight percent NH, from elemental analysis of asphaltene samples containing essentially all nitrogen as pyrrolic N-H, and the infrared absorbance of the N-H stretching band at 3470 cm/sup -1/ was developed for asphaltenes.

  10. DEVELOPMENT OF DISPOSABLE SORBENTS FOR CHLORIDE REMOVAL FROM HIGH TEMPERATURE COAL-DERIVED GASES

    Energy Technology Data Exchange (ETDEWEB)

    Gopala Krishnan; Raghubir Gupta

    1999-09-01

    Advanced integrated-gasification combined-cycle (IGCC) and integrated-gasification fuel cell (IGFC) systems require the development of high temperature sorbents for the removal of hydrogen chloride (HCl) vapor to less than 1 parts-per-million (ppm) levels. HCl is a highly reactive, corrosive, and toxic gas which must be removed to meet environmental regulations, to protect power generation equipment, and to minimize deterioration of hot gas desulfurization sorbents. The objective of this program was to develop disposable, alkali-based sorbents capable of reducing HCl vapor levels to less than 1 ppm in the temperature range from 400 to 750 C and pressures in the range from 1 to 20 atm. The primary areas of focus of this program were to investigate different methods of sorbent fabrication, testing their suitability for different reactor configurations, obtaining reaction kinetics data, and conducting a preliminary economic feasibility assessment. This program was a joint effort between SRI International (SRI), Research Triangle Institute (RTI), and General Electric Corporate Research and Development (GE-CRD). SRI, the prime contractor and RTI, a major subcontractor, performed most of the work in this program. Thermochemical calculations indicated that sodium-based sorbents were capable of reducing HCl vapor levels to less than 1 ppm at temperatures up to 650 C, but the regeneration of spent sorbents would require complex process steps. Nahcolite (NaHCO{sub 3}), a naturally-occurring mineral, could be used as an inexpensive sorbent to remove HCl vapor in hot coal gas streams. In the current program, nahcolite powder was used to fabricate pellets suitable for fixed-bed reactors and granules suitable for fluidized-bed reactors. Pilot-scale equipment were used to prepare sorbents in large batches: pellets by disk pelletization and extrusion techniques, and granules by granulation and spray-drying techniques. Bench-scale fixed- and fluidized-bed reactors were assembled at

  11. Adsorption of lignite-derived humic acids on coal-based mesoporous activated carbons.

    Science.gov (United States)

    Lorenc-Grabowska, Ewa; Gryglewicz, Grazyna

    2005-04-15

    The adsorption by a coal-based mesoporous activated carbon of humic acids (HAs) isolated from two Polish lignites was studied. For comparison, a commercial Aldrich humic acid was also included into this study. The differences in chemical structure and functional groups of HAs were determined by elemental analysis and infrared spectroscopy DRIFT. Two activated carbons used differed in terms of mesopore volume, mesopore size distribution, and chemical properties of the surface. The kinetics of adsorption of HAs have been discussed using three kinetic models, i.e., the first-order Lagergren model, the pseudo-second-order model, and the intraparticle diffusion model. It was found that the adsorption of HAs from alkaline solution on mesoporous activated carbon proceeds according to the pseudo-second-order model. The correlation coefficients were close to 1. The intraparticle diffusion of HA molecules within the carbon particle was identified to be the rate-limiting step. Comparing the two activated carbons, the carbon with a higher volume of pores with widths of 10-50 nm showed a greater removal efficiency of HA. An increase in the Freundlich adsorption capacity with decreasing carbon content of HA was observed. Among the HAs studied, S-HA shows characteristics indicating the highest contribution of small-size fraction. The S-HA was removed by both activated carbons to the highest extent. The effect of pH solution on the adsorption of HA was examined over the range pH 5.4-12.2. It was found that the extent of adsorption decreased with decreasing pH of the solution.

  12. Synthesis and complex forming property of phosphor acid derivatives

    International Nuclear Information System (INIS)

    Babaev, B.N.

    2004-01-01

    Full text:With the aim to get new effective and selective extra gents of noble and non-ferrous metals from acid solution and industrial sewage, research of the dependence of 'structure effectiveness' the various phosphor acid derivatives with logical changeable structure (thio phosphor acids, derivatives of dialkoxythiophosphor, O-alkyl-methylphosphon, alkylphenylphosphon, diphenylphosphine acids also 4 methyl-1,3,2 dioxaphosphorinane) which contain different functional groups, the remains of heterocyclic amines and alkaloids, new derivatives of some analytical reagents were synthesized. The structure of synthesized compounds is approved by the results of IR-, PMR-, mass-spectrum analyze. Researching mass-spectrum decay of synthesized phosphor acid derivatives we defined that differing from O-dihexyl-S-propargyl-benzylthio phosphat, mass spectrum decay of O-dialkyl-S-(piperdynobutin-2-il)thio phosphat is characterized by the appearing [M-H] + ions and during the decay ions with high intensiveness are formed. Fragmentation of M + O-alkyl-O-(aminoalkyl)phenylphosphonate proceeds in various directions and characterized with the great number of phosphor containing ions, the possession of the second phenyl radical in the molecule of diphenylphosphon acid derivatives changes the fragmentation of molecular ion of diphenylphosphon acid derivatives. The process of extraction of noble (Au, Ag, Pt, Pd, Os) metals from hydrochloric-sulphur-nitrogen acid medium was analyzed by radioactive indicator's method. It was noticed that structure, strength, conformation of compounds, the temperature, of acid medium (0,1-10 M) and the nature of acids (HCL, H 2 SO 4 , HNO 3 ) could have strong influence to the effectiveness of metal extraction. During the research of metals extraction from pure solutions we can see the followings: 1) There are such substances, which can be used as effective group reagent towards the Au, Ag and Pd. 2) Derivatives with acetylene extract ions of gold from

  13. Green synthesis of chalcones derivatives as intermediate of flavones and their antibacterial activities

    Energy Technology Data Exchange (ETDEWEB)

    VH, Elfi Susanti, E-mail: elsantivh@yahoo.com; Redjeki, Tri, E-mail: tri-redjeki@yahoo.com [Universitas Sebelas Maret, Ir Sutami 36A Surakarta Indonesia, 57126 (Indonesia); Matsjeh, Sabirin, E-mail: sabirin-mara@yahoo.com; Wahyuningsih, Tutik Dwi, E-mail: mustofajogya@yahoo.co.id [Department of Chemistry FMJPA Universitas Gadjah Mada, Jl Sekip Utara, Yogyakarta Indonesia 55281 (Indonesia); Mustofa, E-mail: tutikdw@hotmail.com [Faculty of Medicine, Universitas Gadjah Mada, Yogyakarta Jl. Sekip Utara Yogyakarta Indonesia, 55281 (Indonesia)

    2016-02-08

    Four chalcones derivatives have been synthesized from 3,4-dimethoxybenzaldehyde and acetophenone derivatives (2-hydroxy acetophenone, 2,4-dihydroxy acetophenone, 2,5-dihydroxy acetophenone and 2,6-dihydroxy acetophenone). The synthesis of these chalcones were conducted by Claisen-Schmidt condensation using grinding techniques at room temperature in the absence of solvents. The chalcones were prepared by grinding together equivalent amount of the approriate hydroxyacetophenone and 3,4-dimethoxybenzaldehyde in the presence of solid sodium hydroxide. Grinding techniques for synthesis of the chalcones derivatives is simple, efficient and environmentally benign compared to conventional methods. Then, the four chalcones derivatives undergo cyclization reactions to produce four flavones after reacted with iodine. The synthesized compounds were characterized by spectrometry (IR, {sup 1}H-NMR, {sup 13}C-NMR and MS)

  14. Coal background paper. Coal demand

    International Nuclear Information System (INIS)

    1997-01-01

    Statistical data are presented on coal demands in IEA and OECD member countries and in other countries. Coal coaking and coaking coal consumption data are tabulated, and IEA secretariat's coal demand projections are summarized. Coal supply and production data by countries are given. Finally, coal trade data are presented, broken down for hard coal, steam coal, coking coal (imports and export). (R.P.)

  15. Studies on Synthesis of Some Novel Heterocyclic Azlactone Derivatives and Imidazolinone Derivatives and their Antimicrobial Activity

    Directory of Open Access Journals (Sweden)

    Rakesh N. Mistry

    2005-01-01

    Full Text Available p - Methyl benzoic acid on reaction with phosphorus pentachloride gives p - methyl benzoyl chloride derivative which on condensation with glycine gives p - methyl benzoyl glycine derivative. Now, this p - methyl benzoyl glycine derivative on condensation with various substituted aldehydes gives corresponding substituted 4 - [aryl methylidine] - 2 - [p - methyl phenyl] - oxazole - 5 - one derivatives [1(a-j]. Further, these derivatives [1(a-j] on condensation with 4 , 4’ - diamino diphenyl sulphone gives corresponding substituted imidazolinone - dibenzsulphone derivatives [2(a-j], on condensation with 4 , 4’ - diamino diphenyl methane gives corresponding substituted imidazolinone - dibenzmethane derivatives [3(a-j], on condensation with 4,4’- diamino benzanilide gives corresponding substituted imidazolinone - benzanilide derivatives [4(a-j] and on condensation with 2 - amino pyridine gives corresponding substituted imidazolinone - pyridine derivatives [5(a-j] respectively. Structure elucidation of synthesised compounds has been made on the basis of elemental analysis, I.R. spectral studies and 1H N.M.R. spectral studies. The antimicrobial activity of the synthesised compounds has been studied against the cultures “Staphylococcus aureus”, “Escherichia coli” and “Candela albicans”.

  16. Synthesis, Characterization and Antimicrobial Activity of New Thiadiazole Derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Mullick, Pooja; Khan, Suroor A.; Verma, Surajpal; Alam, Ozair [Hamdard University, New Delhi (India)

    2010-08-15

    A series of thiadiazole derivatives were synthesized with differently substituted benzoic acids which were cyclized to give differently substituted thiazolidin-4-one. Elemental analysis, IR, {sup 1}H NMR, {sup 13}C NMR and mass spectral data confirmed the structure of the newly synthesized compounds. The derivatives of these moieties were evaluated for antimicrobial activity. Most of the synthesized compounds showed good antimicrobial activity at 200 and 100 μg/mL. Compounds showed most significant antibacterial activity against gram negative test organism Escherichia coli and most significant antifungal activity against test organisms Aspergillus niger and Candida albicans. It was observed that compounds with OCH{sub 3} at 3, 4 position of phenyl ring [5(a-l)] were more potent against microbes as compared to compounds having unsubstituted phenyl ring [4(a-l)].

  17. Design, Synthesis and Antiviral Activity Studies of Schizonepetin Derivatives

    Directory of Open Access Journals (Sweden)

    Anwei Ding

    2013-08-01

    Full Text Available A series of schizonepetin derivatives have been designed and synthesized in order to obtain potent antivirus agents. The antiviral activity against HSV-1 and influenza virus H3N2 as well as the cytotoxicity of these derivatives was evaluated by using cytopathic effect (CPE inhibition assay in vitro. Compounds M2, M4, M5 and M34 showed higher inhibitory activity against HSV-1 virus with the TC50 values being in micromole. Compounds M28, M33, and M35 showed higher inhibitory activity against influenza virus H3N2 with their TC50 values being 96.4, 71.0 and 75.4 μM, respectively. Preliminary biological activity evaluation indicated that the anti-H3N2 and anti-HSV-1 activities improved obviously through the introduction of halogen into the structure of schizonepetin.

  18. Alum as a Catalyst for the Synthesis of Bispyrazole Derivatives

    Directory of Open Access Journals (Sweden)

    Mohammad Ali Zolfigol

    2016-01-01

    Full Text Available Compounds with pyrazolemoieties as nitrogen-containing heterocyclic systems have received attention owing to their diverse biological activities. Alum (KAl(SO42∙12H2O is an inexpensive, reusable and nontoxic catalyst used to synthesize 1H-pyrazole derivatives via the reaction of 3-methyl-1-phenyl-1H-pyrazol-5(4H-one and carbonyl compound under solvent-free conditions at 60 °C. The proposed method has been used for the preparation of 1H-pyrazole derivatives to yield green products for cleaning-in-place and to avoid toxic catalysts and hazardous solvents in accordance with the philosophy of sustainable chemistry.

  19. Synthesis of chitosan derivative with diethyldithiocarbamate and its antifungal activity.

    Science.gov (United States)

    Qin, Yukun; Xing, Ronge; Liu, Song; Li, Kecheng; Hu, Linfeng; Yu, Huahua; Chen, Xiaolin; Li, Pengcheng

    2014-04-01

    With an aim to discover novel chitosan derivatives with enhanced antifungal properties compared with chitosan. Diethyl dithiocarbamate chitosan (EtDTCCS) was investigated and its structure was well identified. The antifungal activity of EtDTCCS against Alternaria porri (A. porri), Gloeosporium theae sinensis Miyake (G. theae sinensis), and Stemphylium solani Weber (S. solani) was tested at 0.25, 0.5, and 1.0 mg/mL, respectively. Compared with plain chitosan, EtDTCCS shows better inhibitory effect with 93.2% inhibitory index on G. theae sinensis at 1.0 mg/mL, even stronger than for polyoxin (82.5%). It was inferred derivatives of this kind may find potential applications for the treatment of various crop-threatening diseases. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Synthesis of some 16,17-secoandrost-5-ene derivatives

    Directory of Open Access Journals (Sweden)

    Gaković Andrea R.

    2010-01-01

    Full Text Available Starting from 3β-acetoxy-17-oxo-16,17-secoandrost-5-ene-16-nitrile (1, 3β-acetoxy-16,17-secoandrost-5-ene-16-nitrile (4 was synthesized by a three-stage procedure. First, the formyl group of compound 1 was reduced, to yield the alcohol 2. Compound 2 was further transformed to the mesyloxy derivative 3, whose reduction with NaBH3CN gave compound 4. Apart from compound 4 as the main reaction product, two additional products were obtained, for which the GC/MS analysis suggested that they are 8(14 and 14 derivatives of compound 4. Compound 4 was transformed into 3β-hydroxy-16,17-sesoandrost-5-ene-16-nitrile (7, the Oppenauer oxidation of which afforded 3-oxo-16,17-secoandrost-4-ene-16-nitrile (8.

  1. Synthesis and evaluation of antimalarial activity of curcumin derivatives

    International Nuclear Information System (INIS)

    Gomes, Patricia Ramos; Miguel, Fabio Balbino; Almeida, Mauro Vieira de; Couri, Mara Rubia Costa; Oliveira, Michael Eder de; Ferreira, Vanessa Viana; Guimaraes, Daniel Silqueira Martins; Lima, Aline Brito de; Barbosa, Camila de Souza; Oliveira, Mariana Amorim de; Almeida, Mauro Vieira de; Viana, Gustavo Henrique Ribeiro; Varotti, Fernando de Pilla

    2014-01-01

    ne of the main challenges in the development of new antimalarial drugs is to achieve a viable lead candidate with good pharmacokinetic properties. Curcumin has a broad range of biological activities, including antimalarial activity. Herein, we report the antimalarial activity of six curcumin derivatives (6-12) and an initial analysis of their pharmacokinetic properties. Five compounds have demonstrated potent activity against the P. falciparum in vitro (IC 50 values ranging from 1.7 to 15.2 μg mL -1 ), with moderate or low cytotoxicity against the HeLa cell line. The substitution of the carbonyl group in 6 by a 2,4-dinitrophenylhydrazone group (to afford 11) increases the Selective Index. These preliminary results indicate curcumin derivatives as potential antimalarial compounds. (author)

  2. Synthesis and characterization of cellulose derivatives obtained from bacterial cellulose

    International Nuclear Information System (INIS)

    Oliveira, Rafael L. de; Barud, Hernane; Ribeiro, Sidney J.L.; Messaddeq, Younes

    2011-01-01

    The chemical modification of cellulose leads to production of derivatives with different properties from those observed for the original cellulose, for example, increased solubility in more traditional solvents. In this work we synthesized four derivatives of cellulose: microcrystalline cellulose, cellulose acetate, methylcellulose and carboxymethylcellulose using bacterial cellulose as a source. These were characterized in terms of chemical and structural changes by examining the degree of substitution (DS), infrared spectroscopy (FTIR) and nuclear magnetic resonance spectroscopy - NMR 13 C. The molecular weight and degree of polymerization were evaluated by viscometry. The characterization of the morphology of materials and thermal properties were performed with the techniques of X-ray diffraction, electron microscopy images, differential scanning calorimetry (DSC) and thermogravimetric analysis. (author)

  3. Synthesis and proapoptotic activity of oleanolic acid derived amides.

    Science.gov (United States)

    Heller, Lucie; Knorrscheidt, Anja; Flemming, Franziska; Wiemann, Jana; Sommerwerk, Sven; Pavel, Ioana Z; Al-Harrasi, Ahmed; Csuk, René

    2016-10-01

    Thirty-one different 3-O-acetyl-OA derived amides have been prepared and screened for their cytotoxic activity. In the SRB assays nearly all the carboxamides displayed good cytotoxicity in the low μM range for several human tumor cell lines. Low EC50 values were obtained especially for the picolinylamides 14-16, for a N-[2-(dimethylamino)-ethyl] derivative 27 and a N-[2-(pyrrolinyl)-ethyl] carboxamide 28. These compounds were submitted to an extensive biological testing and proved compound 15 to act mainly by an arrest of the tumor cells in the S phase of the cell cycle. Cell death occurred by autophagy while compounds 27 and 28 triggered apoptosis. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. Small-Scale Coal-Biomass to Liquids Production Using Highly Selective Fischer-Tropsch Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Gangwal, Santosh K. [Southern Research Institute, Durham, NC (United States); McCabe, Kevin [Southern Research Institute, Durham, NC (United States)

    2015-04-30

    The research project advanced coal-to-liquids (CTL) and coal-biomass to liquids (CBTL) processes by testing and validating Chevron’s highly selective and active cobalt-zeolite hybrid Fischer-Tropsch (FT) catalyst to convert gasifier syngas predominantly to gasoline, jet fuel and diesel range hydrocarbon liquids, thereby eliminating expensive wax upgrading operations The National Carbon Capture Center (NCCC) operated by Southern Company (SC) at Wilsonville, Alabama served as the host site for the gasifier slip-stream testing/demonstration. Southern Research designed, installed and commissioned a bench scale skid mounted FT reactor system (SR-CBTL test rig) that was fully integrated with a slip stream from SC/NCCC’s transport integrated gasifier (TRIGTM). The test-rig was designed to receive up to 5 lb/h raw syngas augmented with bottled syngas to adjust the H2/CO molar ratio to 2, clean it to cobalt FT catalyst specifications, and produce liquid FT products at the design capacity of 2 to 4 L/day. It employed a 2-inch diameter boiling water jacketed fixed-bed heat-exchange FT reactor incorporating Chevron’s catalyst in Intramicron’s high thermal conductivity micro-fibrous entrapped catalyst (MFEC) packing to efficiently remove heat produced by the highly exothermic FT reaction.

  5. Synthesis of zeolite from coal fly ashes with different silica-alumina composition

    Energy Technology Data Exchange (ETDEWEB)

    Miki Inada; Yukari Eguchi; Naoya Enomoto; Junichi Hojo [Kyushu University, Fukuoka (Japan). Department of Chemistry and Biochemistry, Graduate School of Engineering

    2005-02-01

    Coal fly ashes can be converted into zeolites by hydrothermal alkaline treatment. This study focuses on the effect of Si/Al molar ratio of the fly ash source on the type of formed zeolite, which also is affected by the alkaline condition. The fly ashes were mixed with an aqueous NaOH solution and hydrothermally treated at about 100{degree}C. Zeolite Na-P1 and/or hydroxy-sodalite appeared after the treatment. Zeolite Na-P1 predominantly formed from silica-rich fly ash at a low-NaOH concentration. The cation exchange capacity of the product with a large content of zeolite Na-P1 reached a value of 300 meq/100 g. The type of the product was controlled by addition of aerosil silica or alumina. It was found that silica addition effectively enhances the formation of zeolite Na-P1, even at a high-NaOH concentration. These results were discussed on the basis of a formation mechanism of zeolite from coal fly ash through dissolution-precipitation process. 10 refs., 6 figs., 1 tab.

  6. Acyl Meldrum's acid derivatives: application in organic synthesis

    Science.gov (United States)

    Janikowska, K.; Rachoń, J.; Makowiec, S.

    2014-07-01

    This review is focused on an important class of Meldrum's acid derivatives commonly known as acyl Meldrum's acids. The preparation methods of these compounds are considered including the recently proposed and rather rarely used ones. The chemical properties of acyl Meldrum's acids are described in detail, including thermal stability and reactions with various nucleophiles. The possible mechanisms of these transformations are analyzed. The bibliography includes 134 references.

  7. Synthesis and Anticancer Activity of Novel Thiazole-5-Carboxamide Derivatives

    Directory of Open Access Journals (Sweden)

    Wen-Xi Cai

    2016-01-01

    Full Text Available A series of novel 2-phenyl-4-trifluoromethyl thiazole-5-carboxamide derivatives have been synthesized and evaluated for their anticancer activity against A-549, Bel7402, and HCT-8 cell lines. Among the tested compounds, highest activity (48% was achieved with the 4-chloro-2-methylphenyl amido substituted thiazole containing the 2-chlorophenyl group on the two position of the heterocyclic ring. Other structurally similar compounds displayed moderate activity. The key intermediates have been fully characterized.

  8. Synthesis and antibacterial studies of some novel isoxazoline derivatives

    Directory of Open Access Journals (Sweden)

    TEJASKUMAR SHAH

    2007-05-01

    Full Text Available A series of 3-[3-(2,4-dichloro-5-fluorophenyl-5-(2-furyl-4,5-dihydro-1H-pyrazol-1-yl]-5-(substituted phenyl/2-thienylisoxazolines (4a-j were prepared. The structures of the isoxazoline derivatives were confirmed on the bases of elemental analysis and spectral data. The compounds were screened for their in vitro antibacterial activity using gram-positive bacteria and gram-negative bacteria.

  9. Synthesis and characterization of new thiourea and urea derivatives ...

    Indian Academy of Sciences (India)

    Hasti Sudhamani et al. N. S/O. O. N. F. O. N. S. O. N ... All the required chemicals were purchased from Sigma. Aldrich and the ... of remaining compounds (8b-g) and urea derivatives. (9a-d). ..... Nicholas J H, John G J, Kendra L B, Paul G C, Harold. B H, Lisa L K ... Nadaradjane A Nicod L Guyon C Xicluna A Robert. J F and ...

  10. Synthesis and stability of strongly acidic benzamide derivatives

    DEFF Research Database (Denmark)

    Diness, Frederik; Bjerrum, Niels J.; Begtrup, Mikael

    2018-01-01

    Reactivity studies of strong organic acids based on the replacement of one or both of the oxygens in benzoic acids with the trifluoromethanesulfonamide group are reported. Novel derivatives of these types of acids were synthesized in good yields. The generated N-triflylbenzamides were further...... functionalized through cross-coupling and nucleophilic aromatic substitution reactions. All compounds were stable in dilute aqueous solutions. Studies of stability under acidic and basic conditions are also reported....

  11. Design and synthesis of an indol derivative as antibacterial agent against Staphylococcus aureus.

    Science.gov (United States)

    Lenin, Hau-Heredia; Lauro, Figueroa-Valverde; Marcela, Rosas-Nexticapa; Socorro, Herrera-Meza; Maria, López-Ramos; Francisco, Díaz-Cedillo; Elodia, García-Cervera; Eduardo, Pool-Gómez; Josefa, Paat-Estrella; Regina, Cauich-Carrillo; Saidy, Euan-Hau

    2017-10-01

    Several indole derivatives with antibacterial activity have been prepared using different protocols; however, some require special reagents and conditions. The aim of this study involved the synthesis of some indole derivatives using estrone and OTBS-estrone as chemical tools. The synthesis of the indole derivatives involves reactions such as follows: (1) synthesis of two indol derivatives ( 4 or 5 ) by reaction of estrone or OTBS-estrone with phenylhydrazine in medium acid; (2) reaction of 4 or 5 with 6-cloro-1-hexyne in medium basic to form two hexynyl-indol ( 7 or 8 ); (3) preparation of indol-propargylic alcohol derivatives ( 10 or 11 ) by reaction of benzaldehyde with 7 or 8 in medium basic; (4) synthesis of indol-aldehydes ( 12 or 13 ) via oxidation of 10 or 11 with DMSO; (5) synthesis of indeno-indol-carbaldehyde ( 15 or 16 ) via alkynylation/cyclization of 12 or 13 with hexyne in presence of copper(II); (6) preparation indeno-indol-carbaldehyde complex ( 19 or 20 ) via alkynylation/cyclization of 12 or 13 with 1-(hex-5-yn-1-yl)-2-phenyl-1 H -imidazole. The antibacterial effect exerted by the indol-steroid derivatives against Streptococcus pneumoniae and Staphylococcus aureus bacteria was evaluated using dilution method and the minimum inhibitory concentration (MIC). The results showed that only the compound 19 inhibit the growth bacterial of S. aureus . In conclusion, these data indicate that antibacterial activity of 19 can be due mainly to functional groups involved in the chemical structure in comparison with the compounds studied.

  12. Synthesis, antioxidative and whitening effects of novel cysteine derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Ha, Ji Hoon; Kim, Kyoung Mi; Jeong, Yoon Ju; Park, Young Min; Lee, Jae Young; Park, Soo Nam [Dept. of Fine Chemistry, Cosmetic R and D Center, Cosmetic Industry Coupled Collaboration Center, Seoul National University of Science and Technology, Seoul (Korea, Republic of); Park, Jino [Daebong LS. Ltd, Incheon (Korea, Republic of)

    2017-01-15

    Recently, development of biocompatibility functional cosmetic agents as antioxidant or whitening agent has increased. In this study, synthetic cysteine derivatives (DBLS-21, -24, and -33) were developed containing syringic acid and cysteine moieties (l-cysteine ethyl ester, N-acetyl cysteine methyl ester, and N-acetyl cysteine ethyl ester), and their antioxidative and whitening activities were evaluated. The cellular protective effect (τ{sub 50}) of DBLS-21 was 51.1 min at 50 μM on {sup 1}O{sub 2} -induced hemolysis of erythrocytes. This activity was slightly higher than that of α-tocopherol (43.6 min) as a lipophilic antioxidant. In the melanogenesis inhibitory effect, DBLS-21, -24, and -33 was 1.6-, 1.8-, and 2.5-fold higher than arbutin, respectively. In particular, DBLS-21 and -33 was 112.8- and 6.1-fold higher than arbutin, respectively (293.4 μM) on tyrosinase inhibition activity (IC{sub 50} ). But DBLS-24 had no tyrosinase inhibitory activity. These results suggest that cysteine derivatives possess potential for use as an antioxidant agent (DBLS-21) and whitening agents (all derivatives) in cosmetics.

  13. Synthesis, antioxidative and whitening effects of novel cysteine derivatives

    International Nuclear Information System (INIS)

    Ha, Ji Hoon; Kim, Kyoung Mi; Jeong, Yoon Ju; Park, Young Min; Lee, Jae Young; Park, Soo Nam; Park, Jino

    2017-01-01

    Recently, development of biocompatibility functional cosmetic agents as antioxidant or whitening agent has increased. In this study, synthetic cysteine derivatives (DBLS-21, -24, and -33) were developed containing syringic acid and cysteine moieties (l-cysteine ethyl ester, N-acetyl cysteine methyl ester, and N-acetyl cysteine ethyl ester), and their antioxidative and whitening activities were evaluated. The cellular protective effect (τ_5_0) of DBLS-21 was 51.1 min at 50 μM on "1O_2 -induced hemolysis of erythrocytes. This activity was slightly higher than that of α-tocopherol (43.6 min) as a lipophilic antioxidant. In the melanogenesis inhibitory effect, DBLS-21, -24, and -33 was 1.6-, 1.8-, and 2.5-fold higher than arbutin, respectively. In particular, DBLS-21 and -33 was 112.8- and 6.1-fold higher than arbutin, respectively (293.4 μM) on tyrosinase inhibition activity (IC_5_0 ). But DBLS-24 had no tyrosinase inhibitory activity. These results suggest that cysteine derivatives possess potential for use as an antioxidant agent (DBLS-21) and whitening agents (all derivatives) in cosmetics

  14. New algorithms derived from the synthesis method. Application to diffusion problems

    International Nuclear Information System (INIS)

    Rouzaud, Philippe.

    1976-05-01

    Two algorithms to compute the neutron distribution in a nuclear reactor are presented. These algorithms, the iterative synthesis method (MSI) and the synthesis method by deflation (MSD), are derived from the classical synthesis method (MSC). They retain the most important advantages of MSC (computing time and memory storage reduced with regard to finite difference methods) and avoid its drawbacks: choice of trial functions; choice of weighting functions; choice of the number of terms (for MSD only). Extensive numerical checks of the three methods (MSC, MSI, MSD) were carried out on two fast reactor configurations described in plane geometry (X,Y). Monoenergetic and multigroup theories were successively used. The use of MSI and MSD allows a significant reduction of the discrepancies between the finite difference method and the synthesis method for the reactivity values and the flux distribution [fr

  15. H3-THYMIDINE DERIVATIVE POOLS IN RELATION TO MACRONUCLEAR DNA SYNTHESIS IN TETRAHYMENA PYRIFORMIS

    Science.gov (United States)

    Stone, G. E.; Miller, O. L.; Prescott, D. M.

    1965-01-01

    The formation of a soluble H3-thymidine derivative pool has been examined in Tetrahymena pyriformis as a function of macronuclear DNA synthesis during the cell life cycle. An autoradiographic technique which allows the detection of water-soluble materials within a cell has shown that these cells do not take up and retain exogenous H3-thymidine during G1 or G2. Uptake of H3-thymidine is restricted to the S period of the cell cycle. Additional autoradiographic experiments show, however, that a soluble pool of H3-thymidine derivatives persists from the end of one DNA synthesis period to the beginning of the next synthesis period in the subsequent cell cycle. Since this persisting pool cannot be labeled with H3-thymidine, the pool does not turn over during non-S periods. PMID:19866660

  16. Synthesis and applications of MOF-derived porous nanostructures

    Directory of Open Access Journals (Sweden)

    Min Hui Yap

    2017-07-01

    Full Text Available Metal organic frameworks (MOFs represent a class of porous material which is formed by strong bonds between metal ions and organic linkers. By careful selection of constituents, MOFs can exhibit very high surface area, large pore volume, and excellent chemical stability. Research on synthesis, structures and properties of various MOFs has shown that they are promising materials for many applications, such as energy storage, gas storage, heterogeneous catalysis and sensing. Apart from direct use, MOFs have also been used as support substrates for nanomaterials or as sacrificial templates/precursors for preparation of various functional nanostructures. In this review, we aim to present the most recent development of MOFs as precursors for the preparation of various nanostructures and their potential applications in energy-related devices and processes. Specifically, this present survey intends to push the boundaries and covers the literatures from the year 2013 to early 2017, on supercapacitors, lithium ion batteries, electrocatalysts, photocatalyst, gas sensing, water treatment, solar cells, and carbon dioxide capture. Finally, an outlook in terms of future challenges and potential prospects towards industrial applications are also discussed. Keywords: Metal organic frameworks, Porous nanostructures, Supercapacitors, Lithium ion batteries, Heterogeneous catalyst

  17. Synthesis and properties of highly branched Jatropha curcas L. oil derivatives

    NARCIS (Netherlands)

    Daniel, Louis; Ardiyanti, Agnes R.; Schuur, Boelo; Manurung, Robert; Broekhuis, Antonius A.; Heeres, Hero J.

    The synthesis and properties of a number of novel branched Jatropha curcas L. oil (JO) derivatives containing vicinal di-ester units in the fatty acid chains are reported. Both the length (acetyl vs. hexanoyl) and the stereochemistry of the vicinal di-ester units (cis vs. trans) were varied. The

  18. Synthesis of Alkyne and Alkene Ketal Derivatives of Pentacyclo[5.4 ...

    African Journals Online (AJOL)

    NICO

    2013-11-04

    phenyl-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-11-one can be easily accomplished by using the alcohols of various alkynes and alkenes. Generally the synthesis of terminal alkyne and cyclic alkene ketal derivatives were ...

  19. Synthesis of acetylene alcohols of heterocyclic type and the acyl derivatives

    Directory of Open Access Journals (Sweden)

    Moldir Dyusebaeva

    2015-03-01

    Full Text Available A synthesis of potentially biologically active heterocyclic amino alcohols of acetylene (Piperidine and Morpholine under the conditions of Mannich reaction accomplished and received their acyl derivatives. Pharmacological activity (antibacterial and antispasmotic of synthesized compounds, also acute toxicological characteristics studied. The study showed that the combination of DMAE-4 has antispasmodic activity with low toxicity.

  20. Synthesis of novel derivatives of 5-hydroxymethylcytosine and 5-formylcytosine as tools for epigenetics

    Directory of Open Access Journals (Sweden)

    Anna Chentsova

    2014-01-01

    Full Text Available In this work we present for the first time the synthesis of novel 5-hydroxymethylcytosine (5hmC and 5-formylcytosine (5fC derivatives that can be used as tools in the emerging field of epigenetics for deciphering chemical biology of TET-mediated processes.

  1. Chemically Modified Starch; Allyl- and Epoxy-Starch Derivatives: Their Synthesis and Characterization

    NARCIS (Netherlands)

    Franssen, M.C.R.; Boeriu, C.

    2014-01-01

    Both native and modified starches, such as starch that is pregelatinized, extruded, acid-converted, cross-linked, and substituted, are widely used in industry. This chapter describes a mild two-step process for the synthesis of novel, highly reactive granular epoxy-starch derivatives. Via this

  2. Synthesis of 2-vinylic indoles and derivatives via a Pd-catalyzed tandem coupling reaction.

    Science.gov (United States)

    Fayol, Aude; Fang, Yuan-Qing; Lautens, Mark

    2006-09-14

    A novel one-step synthesis of valuable 2-vinylic indoles and their tricycle derivatives is described. This reaction, which utilizes a gem-dibromovinyl unit as a readily available starting material, occurs via an efficient Pd-catalyzed tandem Buchwald-Hartwig/Heck reaction.

  3. Multicomponent Reaction in Ionic Liquid: A Novel and Green Synthesis of 1, 4-Dihydropyridine Derivatives

    Institute of Scientific and Technical Information of China (English)

    Xin Ying ZHANG; Yan Zhen LI; Xue Sen FAN; Gui Rong QU; Xue Yuan HU; Jian Ji WANG

    2006-01-01

    An efficient and green method for the synthesis of 1, 4-dihydropyridine derivatives mediated in an ionic liquid, [bmim][BF4], through a four-component condensation process of aldehydes, 1, 3-dione, Meldrum's acid and ammonium acetate is disclosed in this paper.

  4. Synthesis and X-ray structure of the dysprosium(III) complex derived ...

    African Journals Online (AJOL)

    Synthesis and X-ray structure of the dysprosium(III) complex derived from the ligand 5-chloro-1 ... Bulletin of the Chemical Society of Ethiopia ... synthesized and its crystal structure determined by single X-ray diffraction at room temperature.

  5. Silica Sulfuric Acid: An Eco-Friendly and Reusable Catalyst for Synthesis of Benzimidazole Derivatives

    Directory of Open Access Journals (Sweden)

    Bahareh Sadeghi

    2013-01-01

    Full Text Available Silica sulfuric acid (SiO2-OSO3H as an eco-friendly, readily available, and reusable catalyst is applied to benzimidazole derivatives synthesis under reflux in ethanol. The procedure is very simple and the products are isolated with an easy workup in good-to-excellent yields.

  6. Combustion studies of coal derived solid fuels by thermogravimetric analysis. III. Correlation between burnout temperature and carbon combustion efficiency

    Science.gov (United States)

    Rostam-Abadi, M.; DeBarr, J.A.; Chen, W.T.

    1990-01-01

    Burning profiles of 35-53 ??m size fractions of an Illinois coal and three partially devolatilized coals prepared from the original coal were obtained using a thermogravimetric analyzer. The burning profile burnout temperatures were higher for lower volatile fuels and correlated well with carbon combustion efficiencies of the fuels when burned in a laboratory-scale laminar flow reactor. Fuels with higher burnout temperatures had lower carbon combustion efficiencies under various time-temperature conditions in the laboratory-scale reactor. ?? 1990.

  7. Study on supported binary sulfide catalysts for secondary hydrogenation of coal-derived liquids; Sekitan ekikayu niji suisoka shokubai no kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, H.; Matsubayashi, N.; Sato, T.; Imamura, M.; Yoshimura, Y.; Nishijima, A. [National Institute of Materials and Chemical Research, Tsukuba (Japan)

    1995-07-28

    To utilize the high performance of supported catalysts in coal liquefaction processes, one of the promising ways is to apply hydroprocessing sulfide catalysts to the secondary hydrogenation of coal-derived liquids which have undergone the solid separation unit. However, when the product yield from the first-stage liquefaction is maximized, the feed stocks in the secondary hydrogenation contain large amounts of residual fractions with preasphaltenes and metallic components. In this case, the development of a long-life catalyst is essential to establish the two-stage process as a practical one. From this viewpoint, the authors have investigated the deactivation causes of supported Ni-Mo sulfide catalysts through the analysis of the used catalysts in the secondary hydrogenation of coal-derived liquids for long periods. The major cause of the catalyst deactivation has been found to be metallic and carbonaceous deposition on the catalyst, which results thin layer which covers the catalyst particles. The catalysts located at the reactor inlet are more rapidly deactivated than those at the rector exit because of larger amounts of metallic foul ants and the above described shell-like layer. Hydrocracking active sites are much heavily deactivated compared with hydrogenation active sites. It is inferred that the basic or polar compounds contained in coal liquids are permanency adsorbed on the hydrocracking active sites. Spectroscopic analysis of the used catalysts clarified the destruction of the active phase of the binary sulfides, through the segregation and crystal growth. The structural changes of the catalysts are very likely caused by heteroatom compounds in the preasphaltenes. Thus, the primary cause of the catalyst deactivation is the preasphaltenes in the coal liquids. Hydroaromatic compounds in the coal liquids suppress the change of the deposited carbonaceous materials into inert coke which permanently deactivate the catalyst.

  8. Synthesis, characterization and pharmacological evaluation of substituted phenoxy acetamide derivatives

    Directory of Open Access Journals (Sweden)

    Rani Priyanka

    2015-01-01

    Full Text Available A novel series of 2-(substituted phenoxy-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylacetamide and N-(2-bromocyclohexyl-2-(substituted phenoxyacetamide derivatives having cyclohexyl nucleus as common in both types were synthesized and assessed for their anti-inflammatory activity by a carrageenan induced rat paw oedema method, analgesic activity by Eddy’s hot plate method and antipyretic activity by brewer’s yeast induced pyrexia method. All the novel derivatives have been synthesized by the reaction of camphor and similar ketone having cyclohexane nucleus (e.g. 2-bromocyclohexanone with ammonium carbonate and formic acid resulting in the formation of aromatic amines (1a-b. These amines on further chloroacetylation with chloroacetylchloride give compounds (2a-b. Compounds (2a-b are converted to 2-(substituted phenoxy-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetamide and N-(2-bromocyclohexyl-2-(substituted phenoxyacetamide derivatives on treatment with substituted phenol. Among the series 3a-f, 3i, 3k, 3l compounds showed significant anti-inflammatory activity as compared to the standard drug diclofenac sodium and also compound 3a-f, 3h, 3j, 3k exhibit significant analgesic activity as compared to the standard drug. Compounds 3a-f and 3k showed antipyretic activity nearly to the standard drug indomethacin. Compounds 3a-f and 3k possess anti-inflammatory, analgesic and antipyretic activities near to the standard.

  9. Synthesis of novel ionic liquids from lignin-derived compounds

    Science.gov (United States)

    Socha, Aaron; Singh, Seema; Simmons, Blake A.; Bergeron, Maxime

    2017-09-19

    Methods and compositions are provided for synthesizing ionic liquids from lignin derived compounds comprising: contacting a starting material comprising lignin with a depolymerization agent to depolymerize the lignin and form a mixture of aldehyde containing compounds; contacting the mixture of aldehyde containing compounds with an amine under conditions suitable to convert the mixture of aldehyde containing compounds to a mixture of amine containing compounds; and contacting the mixture of amine containing compounds with an acid under conditions suitable to form an ammonium salt, thereby preparing the ionic liquid.

  10. Synthesis and Anticancer Activities of Glycyrrhetinic Acid Derivatives

    Directory of Open Access Journals (Sweden)

    Yang Li

    2016-02-01

    Full Text Available A total of forty novel glycyrrhetinic acid (GA derivatives were designed and synthesized. The cytotoxic activity of the novel compounds was tested against two human breast cancer cell lines (MCF-7, MDA-MB-231 in vitro by the MTT method. The evaluation results revealed that, in comparison with GA, compound 42 shows the most promising anticancer activity (IC50 1.88 ± 0.20 and 1.37 ± 0.18 µM for MCF-7 and MDA-MB-231, respectively and merits further exploration as a new anticancer agent.

  11. Synthesis and Analgesic Activity Evaluation of Some Agmatine Derivatives

    Directory of Open Access Journals (Sweden)

    Song Li

    2006-06-01

    Full Text Available A series of N,N’-disubstituted-2-nitroethene-1,1-diamine and N,N’-disubstituted- N’’-cyanoguanidine derivatives were prepared and evaluated for in vivo analgesic activity. The blood brain barrier (BBB VolSurf model was used to predict the BBB permeation profiles of our synthesized compounds. Some compounds show both remarkable analgesic activity and good BBB permeation profiles, and these compounds might be developed for treatment of opioid tolerance and dependence.

  12. Synthesis, antimicrobial and antioxidative activity of some new isatin derivatives

    Directory of Open Access Journals (Sweden)

    Šekularac Gavrilo M.

    2014-01-01

    Full Text Available The isatin derivatives, Schiff bases, were synthesized by the reaction of isatin and various substituted primary amines and characterized by several spectroscopic methods. Investigation of the antimicrobial activity of the synthesized compounds was performed by the agar dilution method, against different strains of bacteria and one fungi. The antioxidative activity of the synthesized compounds was also determined. Some of the compounds have shown the significant activity against the selected strains of microorganisms and the antioxidative activity. [Projekat Ministarstva nauke Republike Srbije, br. 172013 i III 46010

  13. Synthesis and Analgesic Properties of Lidocaine Derivatives with Substituted Aminobenzothiazoles.

    Science.gov (United States)

    Ahmadi, Abbas; Khalili, Mohsen; Mohammadinoude, Mohammad Kazem; Nahri-Niknafs, Babak

    2016-01-01

    Local anesthetics are the most widely consumed drugs in the practice of medicine which provide a loss of sensation in a certain body part without loss of consciousness or impairment of central control of essential functions. Lidocaine (I) is the most commonly local anaesthetic drug which is widely used in all species due to its fabulous diffusing and penetrating properties as well as prompt onset of surgical analgesia. In this study, new aminobenzothiazole (with many useful biological and pharmacological properties) analogues were synthesized by changing of amine moiety of I. Both acute and chronic pain properties of new compounds (II-VI) were studied by using the tail immersion and formalin tests on mice and the outcomes were compared with control and lidocaine groups. According to the results, aminobenzothiazole derivatives are better candidates than diethylamine group for replacement on amine moiety of I. Also, derivatives with electron-withdrawing groups on this amine (V and VI) could decrease pain better than electron-donating ones (II and III) (specially on position 6 of this amine, II and V) which may be of concern for blockade of specific sodium channels by these new compounds.

  14. Synthesis and Antidepressant Activity Profile of Some Novel Benzothiazole Derivatives

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    Ümide Demir Özkay

    2017-09-01

    Full Text Available Within the scope of our new antidepressant drug development efforts, in this study, we synthesized eight novel benzothiazole derivatives 3a–3h. The chemical structures of the synthesized compounds were elucidated by spectroscopic methods. Test compounds were administered orally at a dose of 40 mg/kg to mice 24, 5 and 1 h before performing tail suspension, modified forced swimming, and activity cage tests. The obtained results showed that compounds 3c, 3d, 3f–3h reduced the immobility time of mice as assessed in the tail suspension test. Moreover, in the modified forced swimming tests, the same compounds significantly decreased the immobility, but increased the swimming frequencies of mice, without any alteration in the climbing frequencies. These results, similar to the results induced by the reference drug fluoxetine (20 mg/kg, po, indicated the antidepressant-like activities of the compounds 3c, 3d, 3f–3h. Owing to the fact that test compounds did not induce any significant alteration in the total number of spontaneous locomotor activities, the antidepressant-like effects of these derivatives seemed to be specific. In order to predict ADME parameters of the synthesized compounds 3a–3h, some physicochemical parameters were calculated. The ADME prediction study revealed that all synthesized compounds may possess good pharmacokinetic profiles.

  15. Synthesis and antimicrobial activities of 9H-carbazole derivatives

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    Nadia Salih

    2016-09-01

    Full Text Available In this work 9H-carbazole was utilized as a precursor to prepare new heterocyclic derivatives. Treatment of carbazole 1 with ethyl acetoacetate gave ethyl 9H-carbazol-9-ylacetate 2. The acetate ester derivative 2 was transformed into the 2-(9H-carbazol-9-ylacetohydrazide 3 through treatment with hydrazine hydrate. Reaction of compound 3 with sodium nitrite/HCl afforded [(9H-carbazol-9-ylacetylamino]diazonium chloride 4. Compounds 3-[3-(9H-carbazol-9-ylacetyltriazanylidene]pentane-2,4-dione 5 and ethyl 2-[3-(9H-carbazol-9-ylacetyltriazanylidene]-3-oxobutnoate 6 were obtained by reaction of compound 4 with acetylacetone and ethyl acetoacetate, respectively. Treatment of compounds 5 and 6 with urea and phenylhydrazine afforded 5-[3-(9H-carbazol-9-ylacetyltriazanylidene]-4,6-dimethyl pyrimidin-2(5H-one 7 and 4-[3-(9H-carbazol-9-yl acetyltriazanylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 8, respectively. The structures of the synthesized compounds were characterized by IR, 1H NMR, 13C NMR and elemental analysis. All synthesized products were tested and evaluated as antimicrobial agents.

  16. Synthesis and photophysical properties of indium(III) phthalocyanine derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Özceşmeci, İbrahim, E-mail: ozcesmecii@itu.edu.tr [Department of Chemistry, Technical University of Istanbul, Maslak 34469, Istanbul (Turkey); Gelir, Ali [Department of Physics, Technical University of Istanbul, Maslak 34469, Istanbul (Turkey); Gül, Ahmet [Department of Chemistry, Technical University of Istanbul, Maslak 34469, Istanbul (Turkey)

    2014-03-15

    Three chloroindium(III) phthalocyanine derivatives bearing four aromatic (naphthalene or pyrene) or aliphatic (hexylthio) groups were prepared from corresponding phthalonitrile compounds. The indium(III) phthalocyanine derivatives were characterized with elemental analyses, mass, proton nuclear magnetic resonance ({sup 1}H NMR), Fourier transform infrared spectroscopy (FT-IR) and ultraviolet–visible spectroscopy (UV–vis) techniques. Quantum yields and the energy transfer from the substituents to phthalocyanine core were examined. No energy transfer was observed for 5. The energy transfer efficiency from pyrene units to indium phthalocyanine core was calculated as 0.27 for 6. Quantum yields of all samples were very small due to heavy atom effect of indium atom in the core. It was also observed that upon binding of pyrene and naphthalene units to indium phthalocyanine as substituents, the quantum yields of indium phthalocyanine parts of 5 and 6 decreased. -- Highlights: • Three chloroindium(III) phthalocyanines were prepared and characterized. • Aggregation properties of these compounds were investigated. • The energy transfer efficiency was examined. • Quantum yield of these systems were calculated.

  17. Synthesis and pharmacological activity evaluation of arctigenin monoester derivatives.

    Science.gov (United States)

    Chen, Qiulian; Yang, Limin; Han, Mei; Cai, Enbo; Zhao, Yan

    2016-12-01

    Arctigenin (ARG), a nature medicine with many pharmacological activities, was poorly soluble in water and placed restriction on practical usage. Six novel arctigenin monoester derivatives were obtained from the reflux reaction with arctigenin, carboxylic acids (crotonic acid, furoic acid, 2-naphthalene acid and indol-3-acetic acid), EDCI and DMAP in dichloromethane at 60°C for 4-6h and their properties on nitrite scavenging assay were investigated in vitro. Based on the results, the one of the most effective derivatives, arctigenin β-indolylacetate (ARG6), was selected to study anti-tumor activity in vivo at doses of 20 and 40mg/kg. The results showed that comparison with ARG group, ARG6 exhibited more anti-tumor activity in H22 tumor-bearing mice. Furthermore, ARG6 exhibited less damage to the liver, kidney, spleen and thymus when compared with those in positive group. Biochemical parameters of ALT, AST, BUN and Cre showed ARG6 had little toxicity to mice as well. ARG6 significantly improved serum cytokine levels of IL-2, IL-6, IFN-γ and TNF-α, and decreased VEGF compared with ARG. Moreover, H & E staining, TUNEL assay and immunohistochemical of tumor issues also indicated that ARG6 exhibited anti-tumor activity in vivo. In brief, the present study provide a method to improve ARG anti-tumor activity and provide a reference for new anti-tumor agent. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  18. Design, Synthesis and Fungicidal Activities of Some Novel Pyrazole Derivatives

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    Xue-Ru Liu

    2014-09-01

    Full Text Available In order to discover new compounds with good fungicidal activities, 32 pyrazole derivatives were designed and synthesized. The structures of the target compounds were confirmed by 1H-NMR, 13C-NMR, and high-resolution electrospray ionization mass spectrometry (HR-ESI-MS, and their fungicidal activities against Botrytis cinerea, Rhizoctonia solani Kuhn, Valsa mali Miyabe et Yamada, Thanatephorus cucumeris (Frank Donk, Fusarium oxysporum (S-chl f.sp. cucumerinum Owen, and Fusarium graminearum Schw were tested. The bioassay results indicated that most of the derivatives exhibited considerable antifungal activities, especially compound 26 containing a p-trifluoromethyl- phenyl moiety showed the highest activity, with EC50 values of 2.432, 2.182, 1.787, 1.638, 6.986, and 6.043 μg/mL against B. cinerea, R. solani, V. mali, T. cucumeris, F. oxysporum, and F. graminearum, respectively. Moreover, the activities of compounds such as compounds 27–32 were enhanced by introducing isothiocyanate and carboxamide moieties to the 5-position of the pyrazole ring.

  19. Synthesis, physicochemical and biological properties of ethynyl piperidol derivatives

    International Nuclear Information System (INIS)

    Khalikov, D.Kh.

    2012-01-01

    The book presents the results of studies on the reactivity of some derivatives of ethynyl-piperidol in reactions of homo-and copolymerization, the numerical values of the constants of the initiation reaction, growth and chain termination, the parameters of molecular weight, molecular weight distribution and flexibility of polymer chins, triple-radical copolymerization results of ethynyl-piperidol derivatives with hydrophilic monomers and polyfunctional cross-linked polymers and high swelling hydrogels, as well as developed by the author the radiation-chemical grafting technique termed monomers on the surface of cellulose in a continuous manner. The experimental data on ethynyl-piperidol polymers involves with various low-, medium-and high substrates from model solutions and in biological fluids are given. On the example of three iodide ion sorption, bilirubin and serum albumin showed that for the thermodynamically favorable process make a significant contribution to the free energy terms due to the hypothetical ion exchange, the change in resonates concentration and cooperative interaction. The role of hydrophobic interaction in realization of this process is reviled. The data obtained were formulated and validated a number of scientific statements in the chemistry of biomedical polymers. The results of the practical implementation of a number of developments in medical practice are demonstrated. The hydrogel homo-and sorbent, dressings, which have shown high efficacy in the treatment of diseases complicated by endogenous and bacterial endotoxemia in acute radiation and combined radiation-thermal lesions, as well as kidney and live failure. (author)

  20. Synthesis, spectroscopic characterization and pharmacological evaluation of oxazolone derivatives

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    Fareed Ghulam

    2013-01-01

    Full Text Available A series of 4-aryl methylidene-2-phenyl/methyl-5-(4H-oxazolone derivatives (2-7 have been synthesized using the reported method by condensation of aldehydes with N-benzoyl / N-acetyl glycine in the presence of zinc oxide as a catalyst and acetic anhydride at room temperature in ethanol. The compounds (2-6 are new derivatives. The structures of compounds were evaluated on the basis of 1H-NMR, 13C-NMR, EIMS, FT-IR and elemental analysis. All the compounds were screened for their antibacterial and urease inhibition activity. Antibacterial activity was tested by agar well diffusion method using Mueller Hinton Agar medium. Compound (2 showed excellent activity against S. aureus which has 16 mm (80% inhibition and above 24 mm (70% against S. typhi. The most active compound against E. coli was compound (6 having 20 mm (80% inhibition followed by compound (5 having above 18 mm (70% inhibition. Urease inhibition activity of all the compounds was determined by indophenol method. Compounds (3, 6 and (7 showed significant inhibition against Jacks bean urease.

  1. Enaminone in heterocyclic synthesis: synthesis of new pyrazolopyrazole, pyrazolothienooxazine and pyrazolothienopyridine derivatives

    International Nuclear Information System (INIS)

    Hafiz, I.S.; Rahim, M.A.M.A.

    2014-01-01

    The chemical reactivity of enaminone 2 toward some nucleophilic and electrophilic reagents was investigated. Enaminone 2 was used as a key precursor for the synthesis of many important heterocyclic compounds. The synthesized compounds were characterized by IR, 1H-NMR, MS spectral and elemental analysis. (author)

  2. Phosphorylated derivatives of anabasine: synthesis, constitution and complex forming properties

    International Nuclear Information System (INIS)

    Babaev, B.N.

    2004-01-01

    Full text: With the purpose of detection of new effective extra gents of metals from number of sulphur containing derivatives of acids of phosphorus with different functional groups, analysis of effect of the different factors on selectivity of allocation of metals, installation of optimum conditions of an extraction, the detections of effective extra gents of noble metals from industrial sewage waters, are synthesized phosphorylated derivatives of the anabasine - O-alkyl-O-(anaba-sinoisopropyl)- and O-alkyl-O-(anabasinobutyn-2-yl)phenyl phosphonates and O-(anabasinoisopropyl)- and O-(anabasinobutyn-2-yl)diphenyl phosphonates In an IR-spectrum about O-pentyl-O-[anabasinoisopropyl]phenylphosphonate There are absorption band of the following functional groups (ν, cm -1 ): (P-O-C 5 H 11 ) 990-1000, (P = 0) 1250, (P-C 6 H 5 )1450, (C-N in cycle) 1550. In a spectrum PMR O-(anabasinobutyn-2-yl)phenylphosphonate in the field of a weak field apart from signals of two phenylic radicals the signals of a b-displaced pyridine, reference for a molecule anabasine are observed: Hαa-8,46 p.m., H α '-8,41 p.m., H γ -7,60 p.m. And H β -7,15 p.m. A double triplet at 4,70 p.m. And triplet at 3,05 p.m. Belong to signals OCH 2 and N-CH 2 of groups, accordingly, separated by acetylene bond. The signals of piperidine cycle of anabasine have the following chemical shifts: H 2a -3,27 p.m., H 6e -2,78 p.m., H 6a -2,45 p.m., and remaining protons (6H, m, CH 2 ) are in resonance in the field of 1,1-1,9 p.m. The analysis of mass-spectrometer decay of the synthesized connections has shown, that the mass-spectrometer fragmentation M * about - O-alkyl-O- (anabasinoisopropyl) phenylphosphonates flows past in different directions and is characterized, as against about O-alkyl-O-(anabasinobutyn-2-yl)phenyl-phosphonates, large number of phosphor containing ions; the availability of the second phenylic radical in molecules anabasincontaining derivatives of a diphenyl phosphinic acid essentially

  3. Synthesis and evaluation of the antiplasmodial activity of tryptanthrin derivatives

    Directory of Open Access Journals (Sweden)

    Liliane Abodo Onambele

    2015-08-01

    Full Text Available Malaria remains one of the most deadly diseases threatening humankind and is still affecting a significant proportion of the world population, especially in Africa. Chemotherapy is a vital component of the fight against the disease and new antimalarial agents are urgently needed to curb the spread of malaria parasites that are resistant to existing drugs. The natural product tryptanthrin is known for its wide range of activities, including antiplasmodial activity, but its poor solubility has undermined its development as potent antimicrobial and antiprotozoan agent. The aim of this work was to synthesize analogues of tryptanthrin and to evaluate their antiplasmodial activity against the asexual and sexual blood stages of Plasmodium falciparum. Our results suggest that most tryptanthrin analogues retained their antiplasmodial activity against chloroquine-sensitive and chloroquine-resistant malaria parasites in the nanomolar range (30–100 nM. The antiplasmodial activity of the most active compound NT1 (IC50: 30 nM; SI: 155.9 was similar in both strains and close to that of chloroquine (IC50: 20 nM on the sensitive strain. The antiplasmodial activity was improved with derivatization, thus pointing out the necessity to explore tryptanthrin using medicinal chemistry approaches. Ten (10 of the tested derivatives met the criteria, allowing for advancement to animal testing, i.e., SI > 100 and IC50 < 100 nM. In addition to their activity on the asexual stages, tryptanthrin and two selected derivatives (NT1 and T8 prevented the maturation of gametocytes at their IC90 concentrations, indicating a transmission-blocking potential. Moreover, NT1 was able to impair gametogenesis by reducing the exflagellation of microgametes by 20% at IC90, while tryptanthrin and T8 had no influence on exflagellation. The results of this study confirm that tryptanthrin and its derivatives are potential antimalarial candidates with abilities to kill the

  4. Synthesis and characterization of a novel mucoadhesive derivative of xyloglucan.

    Science.gov (United States)

    Madgulkar, Ashwini R; Bhalekar, Mangesh R; Asgaonkar, Kalyani D; Dikpati, Amrita A

    2016-01-01

    A novel polymer in the form of a thiolated derivative of natural tamarind seed polysaccharide or xyloglucan was synthesized and its chacteristics as a mucoadhesive polymer were studied as a part of the study undertaken herein. The synthetic route followed involves a two-step reaction mechanism of firstly oxidizing xyloglucan and then further conjugating it with l-cysteine to form thiolated xyloglucan or thiomer via imine linkage. The thiomer thus formed was characterized using various analytical techniques as differential scanning calorimetry (DSC), X-ray diffraction analysis (XRD), and nuclear magnetic resonance (NMR). Ellman's method was used to determine the numbers of thiol groups/g of thiolated xyloglucan. Zeta potential measurements were carried out for thiolated xyloglucan. Viscosities of the formulated xyloglucan and thiolated xyloglucan gels were comparatively evaluated along with the evaluation of mucoadhesive properties of the gels using ex vivo bioadhesion study employing freshly excised sheep intestinal mucosa. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Synthesis and Herbicidal Activity of New Hydrazide and Hydrazonoyl Derivatives

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    František Šeršeň

    2015-08-01

    Full Text Available Three new hydrazide and five new hydrazonoyl derivatives were synthesized. The chemical structures of these compounds were confirmed by 1H-NMR, IR spectroscopy and elemental analysis. The prepared compounds were tested for their activity to inhibit photosynthetic electron transport in spinach chloroplasts and growth of the green algae Chlorella vulgaris. IC50 values of these compounds varied in wide range, from a strong to no inhibitory effect. EPR spectroscopy showed that the active compounds interfered with intermediates Z•/D•, which are localized on the donor side of photosystem II. Fluorescence spectroscopy suggested that the mechanism of inhibitory action of the prepared compounds possibly involves interactions with aromatic amino acids present in photosynthetic proteins.

  6. Lipophilic phytosterol derivatives: synthesis, thermal property and nanoemulsion behavior

    DEFF Research Database (Denmark)

    Panpipat, Worawan; Xu, Xuebing; Guo, Zheng

    Phytosterols and their esters have been reported as a cholesterol lowering agent in human. However, natural phytosterols have a low solubility in both water and fat resulting in a poor absorption in intestine. To improve the intestinal absorption and bioavailability of phytosterols, conversion...... of phytosterols into enzyme-liable lipophilic derivatives, such as fatty acid esters was one of the possible strategies. Differences in molecular structures of modified phytosterols may result in the differences in their thermal and micelling behaviors. Therefore, the objectives of this study were to improve...... the productive yield of a series of -sitosteryl fatty acid esters (C2-C18) and to investigate the thermal property and nano-emulsion behaviors of those compounds. This work reported a novel approach to synthesize phytosterol (-sitosterol as a model) fatty acid ester by employing Candida antarctica lipase...

  7. Synthesis and Biological Evaluation of Some Novel Dithiocarbamate Derivatives

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    Begüm Nurpelin Sağlık

    2014-01-01

    Full Text Available 18 novel dithiocarbamate derivatives were synthesized in order to investigate their inhibitory potency on acetylcholinesterase enzyme and antimicrobial activity. Structures of the synthesized compounds were elucidated by spectral data and elemental analyses. The synthesized compounds showed low enzyme inhibitory activity. However, they displayed good antimicrobial activity profile. Antibacterial activity of compounds 4a, 4e, and 4p (MIC = 25 μg/mL was equal to that of chloramphenicol against Klebsiella pneumoniae (ATCC 700603 and Escherichia coli (ATCC 35218. Most of the compounds exhibited notable antifungal activity against Candida albicans (ATCC 10231, Candida glabrata (ATCC 90030, Candida krusei (ATCC 6258, and Candida parapsilosis (ATCC 7330. Moreover, compound 4a, which carries piperidin-1-yl substituent and dimethylthiocarbamoyl side chain as variable group, showed twofold better anticandidal effect against all Candida species than reference drug ketoconazole.

  8. Synthesis, radioiodination and biological evaluation of a novel phthalimide derivative

    International Nuclear Information System (INIS)

    Motaleb, M.A.; Abdel-Ghaney, I.Y.; Shamsel-Din, H.A.; Abdel-Bary, H.M.

    2016-01-01

    Biologically active novel phthalimide derivative, N-(5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phthalimide (HPZPHT), was synthesized in excellent yield and characterized by IR, mass and 1 H NMR spectroscopy. It was radiolabeled with iodine-131 by direct electrophilic substitution reaction and radiochemical yield was determined by using different chromatographic techniques (HPLRC, paper chromatography and paper electrophoresis). 131 I-HPZPHT has high radiolabeling yield (98.00 ± 2.00 %), stability, solid tumor uptake and T/NT ratio (5.17 ± 0.03 at 30 min. post-injection) compared with many new tracers which have been developed in recent years. This study encourages the possible use of this tracer as a potential imaging and/or therapeutic agent for cancer. (author)

  9. Synthesis and anti-depressant evaluation of novel pyrazolone derivatives

    Directory of Open Access Journals (Sweden)

    Vijay Kumar Merugumolu

    2016-06-01

    Full Text Available Diazotization of substituted anilines with NaNO2 and concentrated hydrochloric acid at 0ºC gave the diazonium chlorides. Coupling of substituted aryl diazonium chlorides with ethyl acetoacetate in methanol gave ethyl-2-aryl-hydrazono-3-oxobutyrates (2a-h. Reaction of (2a-h with naphthoic carbohydrazide (3 gave the title compounds pyrazolone derivatives (4a-h. The newly synthesized compounds were screened for their in vivo anti-depressant activity by tail suspension test and forced swimming test. Some of the tested compounds 4f, 4g showed very good activity when compared to the standard drug imipramine. The newly synthesized compounds were characterized by physical parameters and the structures were elucidated by spectral data.

  10. Synthesis and Antimicrobial Characterization of Half-Calycanthaceous Alkaloid Derivatives

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    Shaojun Zheng

    2016-09-01

    Full Text Available A total of 29 novel tetrahydropyrroloindol-based calycanthaceous alkaloid derivatives were synthesized from indole-3-acetonitrile in good yields. The synthesized compounds were evaluated against nine strains of bacteria and a wide range of plant pathogen fungi. Bioassay results revealed that majority of the compounds displayed similar or higher in vitro antimicrobial activities than the positive control. The biological activities also indicated that substituents at R4 and R5 significantly affect the activities. Notably, compound c4 was found to be most active among the tested calycanthaceous analogues and might be a novel potential leading compound for further development as an antifungal agent. The results could pave the way for further design and structural modification of calycanthaceous alkaloids as antimicrobial agents.

  11. Synthesis and antibacterial activity of some heterocyclic derivatives of sulfanilamide

    Directory of Open Access Journals (Sweden)

    B.B. Subudhi

    2012-12-01

    Full Text Available Considering the promising antimicrobial potential of carbonic anhydrase inhibitors and heterocyclic compounds some heterocyclic derivatives of sulfanilamide (2a-e were synthesized. The diazotisation of sulfanilamide followed by substitution with ethylacetoacetate and further condensation yielded compounds 2a-c. Schiff base of sulfanilamide with salicylaldehyde on reaction with thioglycollic acid and chloroacetyl chloride resulted in compound 2d-e. The susceptibility of Staphylococcus aureus, Enterococcus faecalis, Escherichia coli and Pseudomonas aeruginosa to the title compounds (300 μg/disc was investigated and compared to that of nitrofurantoin (300 μg/disc and ciprofloxacin (25 μg/disc. The title compounds showed good antimicrobial activity.DOI: http://dx.doi.org/10.4314/bcse.v26i3.15

  12. An efficient synthesis of tetramic acid derivatives with extended conjugation from L-Ascorbic Acid

    Directory of Open Access Journals (Sweden)

    Bisht Surendra S

    2006-12-01

    Full Text Available Abstract Background Tetramic acids with polyenyl substituents are an important class of compounds in medicinal chemistry. Both solid and solution phase syntheses of such molecules have been reported recently. Thiolactomycin, a clinical candidate for treatment of tuberculosis has led to further explorations in this class. We have recently developed an efficient synthesis of tetramic acids derivatives from L- ascorbic acid. In continuation of this work, we have synthesised dienyl tetramic acid derivatives. Results 5,6-O-Isopropylidene-ascorbic acid on reaction with DBU led to the formation of tetronolactonyl allyl alcohol, which on oxidation with pyridinium chlorochromate gave the respective tetranolactonyl allylic aldehydes. Wittig olefination followed by reaction of the resulting tetranolactonyl dienyl esters with different amines resulted in the respective 5-hydroxy lactams. Subsequent dehydration of the hydroxy lactams with p-toluene sulphonic acid afforded the dienyl tetramic acid derivatives. All reactions were performed at ambient temperature and the yields are good. Conclusion An efficient and practical method for the synthesis of dienyl tetramic acid derivatives from inexpensive and easily accessible ascorbic acid has been developed. The compounds bear structural similarities to the tetramic acid based polyenic antibiotics and thus this method offers a new and short route for the synthesis of tetramic acid derivatives of biological significance.

  13. Synthesis by plasma and characterization of compounds derived from polyacetylene

    International Nuclear Information System (INIS)

    Vasquez O, M.

    2004-01-01

    This work presents a study on, the synthesis by plasma and the characterization of an aliphatic conjugated polymer, polyacetylene-chlorinated (Pac), and two aromatic polymers, Poly pyrrole (P Py-Cl) and Poly thiophene (Pth-Cl) synthesized with chlorine and the electrical conductivity. The last two polymers were synthesized to compare the chlorine-polymer interaction in aliphatic and aromatic polymers synthesized by plasma and their repercussion on the electrical transport of charges in the material. The structure and morphology of the polymers were studied using scanning electron microscopy (Sem), energy dispersive spectroscopy (EDS), infrared spectroscopy (Ft-IR), conductivity analysis and X-Ray photon spectroscopy (XPS). The results showed that Pac is soluble in acetone and other organic solvents, which indicates a low proportion of crosslinking in the polymers. This point is important because the crosslinking reduces the electrical conductivity in the material. The Pac conductivity is in the range of 1 x 10 -12 to 6 x 10 -4 S/cm in the internal of 35- 90% of relative humidity. A possible mechanism for the transport of electrical charges in Pac is by means of the double and simple conjugated bonds in the polymers. Pth-Cl and P Py-Cl present electric conductivity in the interval of 9 x 10 -5 to 1 x 10 -2 S/cm and show a great dependence on the relative humidity. The chlorine addition in these polymers was through simultaneous polymerization with chloroform. This last compound can decompose if the energy of the plasma is relatively high, and the fragments can link to the polymer in a hybrid process of copolymerization. An important point of this work is that the polymer is soluble, a difference of the obtained via plasma as the poli aniline, P Py-CI and Pth-Cl both studied in this work. If took in account that the Pac is single the monomer and that P Py-Cl and Pth-CI is affected by the chlorine that modifies the conductivity of the material, then Pac presents an

  14. Microwave-assisted synthesis and antioxidant properties of hydrazinyl thiazolyl coumarin derivatives

    Directory of Open Access Journals (Sweden)

    Osman Hasnah

    2012-04-01

    Full Text Available Abstract Background Coumarin derivatives exhibit a wide range of biological properties including promising antioxidant activity. Furthermore, microwave-assisted organic synthesis has delivered rapid routes to N- and O-containing heterocycles, including coumarins and thiazoles. Combining these features, the use of microwave-assisted processes will provide rapid access to a targeted coumarin library bearing a hydrazino pharmacophore for evaluation of antioxidant properties Results Microwave irradiation promoted 3 of the 4 steps in a rapid, convergent synthesis of a small library of hydrazinyl thiazolyl coumarin derivatives, all of which exhibited significant antioxidant activity comparable to that of the natural antioxidant quercetin, as established by DPPH and ABTS radical assays Conclusions Microwave dielectric heating provides a rapid and expedient route to a series of hydrazinyl thiazolyl coumarins to investigate their radical scavenging properties. Given their favourable properties, in comparison with known antioxidants, these coumarin derivatives are promising leads for further development and optimization.

  15. Synthesis of Renewable meta-Xylylenediamine from Biomass-Derived Furfural.

    Science.gov (United States)

    Scodeller, Ivan; Mansouri, Samir; Morvan, Didier; Muller, Eric; de Oliveira Vigier, Karine; Wischert, Raphael; Jérôme, François

    2018-04-30

    We report the synthesis of biomass-derived functionalized aromatic chemicals from furfural, a building block nowadays available in large scale from low-cost biomass. The scientific strategy relies on a Diels-Alder/aromatization sequence. By controlling the rate of each step, it was possible to produce exclusively the meta aromatic isomer. In particular, through this route, we describe the synthesis of renewably sourced meta-xylylenediamine (MXD). Transposition of this work to other furfural-derived chemicals is also discussed and reveals that functionalized biomass-derived aromatics (benzaldehyde, benzylamine, etc.) can be potentially produced, according to this route. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Synthesis of monoclinic Celsian from Coal Fly Ash by using a one-step solid-state reaction process

    Energy Technology Data Exchange (ETDEWEB)

    Long-Gonzalez, D.; Lopez-Cuevas, J.; Gutierrez-Chavarria, C.A.; Pena, P.; Baudin, C.; Turrillas, X. [CINVESTAV, Coahuila (Mexico)

    2010-03-15

    Monoclinic (Celsian) and hexagonal (Hexacelsian) Ba1-xSrxAl{sub 2}Si2O8 solid solutions, where x=0, 0.25, 0.375, 0.5, 0.75 or 1, were synthesized by using Coal Fly Ash (CFA) as main raw material, employing a simple one-step solid-state reaction process involving thermal treatment for 5 h at 850-1300{sup o}C. Fully monoclinic Celsian was obtained at 1200{sup o} C/5 h, for SrO contents of 0.25 {<=} x {<=} 0.75. However, an optimum SrO level of 0.25 {<=} x {<=} 0.375 was recommended for the stabilization of Celsian. These synthesis conditions represent a significant improvement over the higher temperatures, longer times and/or multi-step processes needed to obtain fully monoclinic Celsian, when other raw materials are used for this purpose, according to previous literature. These results were attributed to the role of the chemical and phase constitution of CFA as well as to a likely mineralizing effect of CaO and TiO{sub 2} present in it, which enhanced the Hexacelsian to Celsian conversion.

  17. Hydantoin in heterocyclic synthesis: synthesis of new imidazopyridine imidazotriazole, pyrazolopurinone and imidazopyrazole derivatives

    International Nuclear Information System (INIS)

    Liu, M.; Li, X.

    2014-01-01

    A New series of imidazopyridine, imidazotriazole, pyrazolopurinone, pyranoimidazole, imidazopyridazine and imidazopyrazole derivatives were synthesized from the reaction of hydantion and its derivatives using a variety of electrophilic and nucleophilic reagents under mild conditions. The structures of the synthesized compounds were established via their elemental and spectral analyses. (author)

  18. Bimetallic Nanocatalysts in Mesoporous Silica for Hydrogen Production from Coal-Derived Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Kuila, Debasish [North Carolina Agricultural & Technical State Univ., Greensboro, NC (United States); Ilias, Shamsuddin [North Carolina Agricultural & Technical State Univ., Greensboro, NC (United States)

    2013-02-13

    In steam reforming reactions (SRRs) of alkanes and alcohols to produce H2, noble metals such as platinum (Pt) and palladium (Pd) are extensively used as catalyst. These metals are expensive; so, to reduce noble-metal loading, bi-metallic nanocatalysts containing non-noble metals in MCM-41 (Mobil Composition of Material No. 41, a mesoporous material) as a support material with high-surface area were synthesized using one-pot hydrothermal procedure with a surfactant such as cetyltrimethylammonium bromide (CTAB) as a template. Bi-metallic nanocatalysts of Pd-Ni and Pd-Co with varying metal loadings in MCM-41 were characterized by x-ray diffraction (XRD), N2 adsorption, and Transmission electron microscopy (TEM) techniques. The BET surface area of MCM-41 (~1000 m2/g) containing metal nanoparticles decreases with the increase in metal loading. The FTIR studies confirm strong interaction between Si-O-M (M = Pd, Ni, Co) units and successful inclusion of metal into the mesoporous silica matrix. The catalyst activities were examined in steam reforming of methanol (SRM) reactions to produce hydrogen. Reference tests using catalysts containing individual metals (Pd, Ni and Co) were also performed to investigate the effect of the bimetallic system on the catalytic behavior in the SRM reactions. The bimetallic system remarkably improves the hydrogen selectivity, methanol conversion and stability of the catalyst. The results are consistent with a synergistic behavior for the Pd-Ni-bimetallic system. The performance, durability and thermal stability of the Pd-Ni/MCM-41 and Pd-Co/MCM-41 suggest that these materials may be promising catalysts for hydrogen production from biofuels. A part of this work for synthesis and characterization of Pd-Ni-MCM-41 and its activity for SRM reactions has been published (“Development of Mesoporous Silica Encapsulated Pd-Ni Nanocatalyst for Hydrogen Production” in “Production and Purification of Ultraclean

  19. Synthesis and Antimicrobial Activity of Sulfur Derivatives of Quinolinium Salts

    Directory of Open Access Journals (Sweden)

    Anna Empel

    2018-01-01

    Full Text Available A novel method for cleavage of the dithiine ring in 5,12-(dimethyl-thioqinantrenium bis-chloride 1 “via” reaction with sodium hydrosulfide leads to 1-methyl-3-mercaptoquinoline-4(1H-thione 2. Further transformation of thiol and thione functions of compound 2 leads to a series of sulfide and disulfide derivatives of quinolinium salts 4 and 6. 1-Methyl-4-chloro-3-benzylthioquinoline chloride 8 was obtained by N-alkylating 4-chloro-3-benzylthioquinoline using dimethyl sulfate. Antimicrobial activity of the obtained compounds was investigated using six Gram-positive and six Gram-negative bacterial strains, as well as Candida albicans yeast. Greater activity was demonstrated towards Gram-positive strains. MIC values for compounds and with benzylthio 4d and benzoylthio 4f substituents in 3-quinoline position were found to be in the 0.5–1 μg/mL range, at a level similar to that of ciprofloxacin (reference. Compounds 4d and 4f also demonstrated interesting antifungal properties (MIC = 1.

  20. Synthesis of New Cytotoxic Aminoanthraquinone Derivatives via Nucleophilic Substitution Reactions

    Directory of Open Access Journals (Sweden)

    Hasimah Alimon

    2013-07-01

    Full Text Available Aminoanthraquinones were successfully synthesized via two reaction steps. 1,4-Dihydroxyanthraquinone (1 was first subjected to methylation, reduction and acylation to give an excellent yield of anthracene-1,4-dione (3, 1,4-dimethoxyanthracene-9,10-dione (5 and 9,10-dioxo-9,10-dihydroanthracene-1,4-diyl diacetate (7. Treatment of 1, 3, 5 and 7 with BuNH2 in the presence of PhI(OAc2 as catalyst produced seven aminoanthraquinone derivatives 1a, b, 3a, and 5a–d. Amination of 3 and 5 afforded three new aminoanthraquinones, namely 2-(butylaminoanthracene-1,4-dione (3a, 2-(butylaminoanthracene-9,10-dione (5a and 2,3-(dibutylaminoanthracene-9,10-dione (5b. All newly synthesised aminoanthraquinones were examined for their cytotoxic activity against MCF-7 (estrogen receptor positive human breast and Hep-G2 (human hepatocellular liver carcinoma cancer cells using MTT assay. Aminoanthraquinones 3a, 5a and 5b exhibited strong cytotoxicity towards both cancer cell lines (IC50 1.1–13.0 µg/mL.

  1. Synthesis and reactions of triphenylphosphine-O-benzophenonimine and derivatives

    International Nuclear Information System (INIS)

    Elamin, Manahil Babiker

    1999-08-01

    O-Amino benzophenone and its para and meta isomers were prepared using Friedl-Craft benzoylation. Their azides were also prepared via their diazonium salts. The azide of o-amino benzophenone in its reduced form (o-benzylaniline) and its cyclic ketal were synthesised. All azides thus formed were reacted separately with triphenylphosphine to give the corresponding phosphinimines, the Wittig reagents nitrogen analog. The reactivity of the phosphorous bond. (P=N) in the different phosphoranes were studied by two types of reactions: (1) the Wittig type of reaction using benzaldehyde and its into derivatives with each of the above prepared phosphinimines. While triphenylphosphine-m-benzophenonimine (ii) and the triphenylphosphine benzophenonimine ethylene acetal (v) and it's reduced form triphenylphosphine-o-benzophenonimine (iv) react giving the corresponding schiffis bases. However, the ortho (i) and the para (iii) isomers failed to react. This lack of reactivity is presumably due to their great stability which came about through the extensive resonance that reduced the nucleophilicity of the nitrogen nucleophiles. (2) The phophinimines each was irradiated using Hanovia medium pressure UV lamp. Also the ortho and para isomers were not affected while others reacted giving the corresponding azo-compound and triphenylphosphine. they were separated and detected by chromatography.(Author)

  2. Synthesis and cytotoxicity evaluation of thiosemicarbazones and their thiazole derivatives

    Directory of Open Access Journals (Sweden)

    Saulo Feheiberg Pinto Braga

    Full Text Available ABSTRACT The aims of this study were to synthesize a series of thiosemicarbazones and their thiazole derivatives, to investigate their cytotoxic activity against three human cancers and normal (Vero cells cell lines, and to evaluate the pro-apoptotic potential of the most active compounds. Materials and Methods: The thiosemicarbazones were obtained by reacting an aromatic aldehyde with thiosemicarbazide (yield 71-96%, which were subjected to a cyclization with α-bromoacetophenone to yield the required thiazole heterocycles (yield 63-100%. All the synthesized compounds were screened at 50 µM concentration against three cell lines representing HL60 (promyelocytic leukemia, Jurkat (acute lymphoblastic leukemia, and MCF-7 (breast cancer. The pro-apoptotic effect was measured by flow cytometry as the percentage of cells with hypodiploid DNA. Results: Three thiazole compounds showed activity against at least one tumor cell line (IC50 = 43-76 µM and low cytotoxicity against Vero cells (IC50 > 100 M. The most active compound of this series induced 91% and 51% DNA fragmentation in HL60 and MCF-7 cell lines, respectively, suggesting that this compound triggered apoptosis in these cells. Conclusion: Among the synthesized compounds, one in particular was found to exert antiproliferative and pro-apoptotic activity on tumor cells and can be considered promising as a lead molecule for the design of new analogues with improved activity.

  3. Docking, synthesis and antimalarial activity of novel 4-anilinoquinoline derivatives.

    Science.gov (United States)

    Vijayaraghavan, Shilpa; Mahajan, Supriya

    2017-04-15

    A series of 4-anilinoquinoline triazine derivatives were designed, synthesized and screened for in vivo antimalarial activity against a chloroquine-sensitive strain of Plasmodium berghei. The compounds were further subjected to in vitro antimalarial activity against chloroquine-resistant W2 strain of Plasmodium falciparum and β-haematin inhibition studies. All the compounds exhibited in vivo antimalarial activity better than that shown by the standard drug, chloroquine. Twelve out of fifteen compounds showed better inhibition than that of chloroquine against chloroquine-resistant W2 strain of Plasmodium falciparum. Ten compounds showed β-haematin inhibition, better than that of chloroquine, with IC 50 values in the range of 18-25µM. One compound, 3k, was found to be better than artemisinin against W2 strain of Plasmodium falciparum and also displayed the best β-haematin inhibitory activity, thereby becoming eligible to be explored as a potential lead for antimalarial chemotherapy. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Efficient Synthesis and Bioactivity of Novel Triazole Derivatives.

    Science.gov (United States)

    Hu, Boyang; Zhao, Hanqing; Chen, Zili; Xu, Chen; Zhao, Jianzhuang; Zhao, Wenting

    2018-03-21

    Triazole pesticides are organic nitrogen-containing heterocyclic compounds, which contain 1,2,3-triazole ring. In order to develop potential glucosamine-6-phosphate synthase (GlmS) inhibitor fungicides, forty compounds of triazole derivatives were synthesized in an efficient way, thirty nine of them were new compounds. The structures of all the compounds were confirmed by high resolution mass spectrometer (HRMS), ¹H-NMR and 13 C-NMR. The fungicidal activities results based on means of mycelium growth rate method indicated that some of the compounds exhibited good fungicidal activities against P. CapasiciLeonian , Sclerotinia sclerotiorum (Lib.) de Bary, Pyricularia oryzae Cav. and Fusarium oxysporum Schl. F.sp. vasinfectum (Atk.) Snyd. & Hans. at the concentration of 50 µg/mL, especially the inhibitory rates of compounds 1-d and 1-f were over 80%. At the same time, the preliminary studies based on the Elson-Morgan method indicated that the compounds exhibited some inhibitory activity toward glucosamine-6-phosphate synthase (GlmS). These compounds will be further studied as potential antifungal lead compounds. The structure-activity relationships (SAR) were discussed in terms of the effects of the substituents on both the benzene and the sugar ring.

  5. Efficient Synthesis and Bioactivity of Novel Triazole Derivatives

    Directory of Open Access Journals (Sweden)

    Boyang Hu

    2018-03-01

    Full Text Available Triazole pesticides are organic nitrogen-containing heterocyclic compounds, which contain 1,2,3-triazole ring. In order to develop potential glucosamine-6-phosphate synthase (GlmS inhibitor fungicides, forty compounds of triazole derivatives were synthesized in an efficient way, thirty nine of them were new compounds. The structures of all the compounds were confirmed by high resolution mass spectrometer (HRMS, 1H-NMR and 13C-NMR. The fungicidal activities results based on means of mycelium growth rate method indicated that some of the compounds exhibited good fungicidal activities against P. CapasiciLeonian, Sclerotinia sclerotiorum (Lib. de Bary, Pyricularia oryzae Cav. and Fusarium oxysporum Schl. F.sp. vasinfectum (Atk. Snyd. & Hans. at the concentration of 50 µg/mL, especially the inhibitory rates of compounds 1-d and 1-f were over 80%. At the same time, the preliminary studies based on the Elson-Morgan method indicated that the compounds exhibited some inhibitory activity toward glucosamine-6-phosphate synthase (GlmS. These compounds will be further studied as potential antifungal lead compounds. The structure-activity relationships (SAR were discussed in terms of the effects of the substituents on both the benzene and the sugar ring.

  6. Synthesis and characterization of nanosized lithium manganate and its derivatives

    Science.gov (United States)

    Iqbal, Muhammad Javed; Zahoor, Sabia

    Spinel lithium manganese oxide, LiMn 2O 4 and its derivatives are prepared by the sol-gel method. The lattice constant of the pure material is calculated as 8.23 Å. Different transition metal cations of chromium, iron, cobalt, nickel, copper and zinc (0.05 and 0.15 M) are doped in place of manganese in the LiMn 2O 4. X-ray powder diffraction data show that the spinel framework preserved its integrity upon doping. Formation of a single phase and the purity of the samples are confirmed by X-ray powder diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR). The crystallite size of the samples is calculated by use of the Scherrer formula and is found to be within a range of 43-66 nm. The electrical conductivity of the samples is determined over a temperature range of 200-300 K by means of four-point probe method. An increasing trend of conductivity with increase in temperature is noted for all the samples. The parent compound LiMn 2O 4 has a conductivity value of 3.47 × 10 -4 ohm -1 cm -1 at room temperature. This value increases on doping with the above-mentioned transition metal cations.

  7. Synthesis and characterization of nanosized lithium manganate and its derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Iqbal, Muhammad Javed; Zahoor, Sabia [Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan)

    2007-02-25

    Spinel lithium manganese oxide, LiMn{sub 2}O{sub 4} and its derivatives are prepared by the sol-gel method. The lattice constant of the pure material is calculated as 8.23 Aa. Different transition metal cations of chromium, iron, cobalt, nickel, copper and zinc (0.05 and 0.15 M) are doped in place of manganese in the LiMn{sub 2}O{sub 4}. X-ray powder diffraction data show that the spinel framework preserved its integrity upon doping. Formation of a single phase and the purity of the samples are confirmed by X-ray powder diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR). The crystallite size of the samples is calculated by use of the Scherrer formula and is found to be within a range of 43-66 nm. The electrical conductivity of the samples is determined over a temperature range of 200-300 K by means of four-point probe method. An increasing trend of conductivity with increase in temperature is noted for all the samples. The parent compound LiMn{sub 2}O{sub 4} has a conductivity value of 3.47 x 10{sup -4} ohm{sup -1} cm{sup -1} at room temperature. This value increases on doping with the above-mentioned transition metal cations. (author)

  8. Synthesis and Bioactivity of Pyrazole Acyl Thiourea Derivatives

    Directory of Open Access Journals (Sweden)

    Jian Wu

    2012-05-01

    Full Text Available Sixteen novel pyrazole acyl thiourea derivatives 6 were synthesized from monomethylhydrazine (phenylhydrazine and ethyl acetoacetate. The key 5-chloro-3-methyl-1-substituted-1H-pyrazole-4-carbonyl chloride intermediates 4 were first generated in four steps through cyclization, formylation, oxidation and acylation. Thess were then reacted with ammonium thiocyanate in the presence of PEG-400 to afford 5-chloro-3-methyl-1-substituted-1H-pyrazole-4-carbonyl isothiocyanates 5. Subsequent reaction with fluorinated aromatic amines resulted in the formation of the title compounds. The synthesized compound were unequivocally characterized by IR, 1H-NMR, 13C-NMR and elemental analysis and some of the synthesized compounds displayed good antifungal activities against Gibberella zeae, Fusarium oxysporum, Cytospora mandshurica and anti-TMV activity in preliminary antifungal activity tests.

  9. Novel 2-Thioxanthine and Dipyrimidopyridine Derivatives: Synthesis and Antimicrobial Activity

    Directory of Open Access Journals (Sweden)

    Samar El-kalyoubi

    2015-10-01

    Full Text Available Several fused imidazolopyrimidines were synthesized starting from 6-amino-1-methyl-2-thiouracil (1 followed by nitrosation, reduction and condensation with different aromatic aldehydes to give Schiff’s base. The dehydrocyclization of Schiff’s bases using iodine/DMF gave Compounds 5a–g. The methylation of 5a–g using a simple alkylating agent as dimethyl sulfate ((CH32SO4 gave either monoalkylated imidazolopyrimidine 6a–g at room temperature or dialkylated derivatives 7a–g on heating 6a–g with ((CH32SO4. On the other hand, treatment of 1 with different aromatic aldehydes in absolute ethanol in the presence of conc. hydrochloric acid at room temperature and/or reflux with acetic acid afforded bis-5,5́-diuracylmethylene 8a–e, which cyclized on heating with a mixture of acetic acid/HCl (1:1 to give 9a–e. Compounds 9a–e can be obtained directly by refluxing of Compound 1 with a mixture of acetic acid/HCl. The synthesized new compounds were screened for antimicrobial activity, and the MIC was measured.

  10. Synthesis and Pharmacochemistry of New Pleiotropic Pyrrolyl Derivatives

    Directory of Open Access Journals (Sweden)

    Markella Konstantinidou

    2015-09-01

    Full Text Available Within the framework of our attempts to synthesize pleiotropic anti-inflammatory agents, we have synthesized some chalcones and their corresponding 3,4-pyrrolyl derivatives. Chalcones constitute a class of compounds with high biological impact. They are known for a number of biological activities, including anti-inflammatory and free radical scavenging activities. They inhibit several enzymes implicated in the inflammatory process, such as lipoxygenase, cyclooxygenase (COX and lysozymes. The synthesized pyrroles have been studied for: (1 their in vitro inhibition of lipoxygenase; (2 their in vitro inhibition of COX; (3 their in vitro inhibition of lipid peroxidation; (4 their interaction with the stable, N-centered, free radical, 2,2-diphenyl-1-picrylhydrazyl (DPPH; (5 their inhibition on interleukin-6 (IL-6; (6 their anti-proteolytic activity; and (7 their in vivo anti-inflammatory activity using carrageenan-induced rat paw edema. Their physicochemical properties were determined to explain the biological results. Lipophilicity was experimentally determined. 2i and 2v were found to be promising multifunctional molecules with high antiproteolytic and anti-inflammatory activities in combination with anti-interleukin-6 activity.

  11. Synthesis of 2-phenylamino-thiazole derivatives as antimicrobial agents

    Directory of Open Access Journals (Sweden)

    Dominique Serge Ngono Bikobo

    2017-11-01

    Full Text Available A series of 10 new N-phenyl-4-(4-(thiazol-2-yl-phenyl-thiazol-2-amine derivatives (3a–j and 4 new 5-(2-(phenylamino-thiazol-4-yl-benzamide ethers (3′a–d were synthesized from 4-(2-phenylamino-thiazol-4-yl-benzothioamide and 2-hydroxy-5-(2-(phenylamino-thiazol-4-yl-benzamide with several α-halo-ketones, by the Hantzsch reaction. All compounds were characterized by elemental analysis and spectral data (MS, FT-IR and NMR. The final 14 substances were screened for antimicrobial activity, against two Gram-positive, one Gram-negative bacterial strains, and two fungal strains. Some of the synthesized molecules were more potent than the reference drugs, against the pathogenic strains used. The antibacterial activity of compounds was more pronounced against the Gram-positive strains. Compound 3e manifested the highest growth inhibitory effect against all pathogens tested (MIC of 31.25 μg/mL against the Gram-positive bacterial strains and 7.81 μg/mL against the Candida strains.

  12. Direct synthesis of carbon nanofibers from South African coal fly ash

    Science.gov (United States)

    Hintsho, Nomso; Shaikjee, Ahmed; Masenda, Hilary; Naidoo, Deena; Billing, Dave; Franklyn, Paul; Durbach, Shane

    2014-08-01

    Carbon nanofibers (CNFs), cylindrical nanostructures containing graphene, were synthesized directly from South African fly ash (a waste product formed during the combustion of coal). The CNFs (as well as other carbonaceous materials like carbon nanotubes (CNTs)) were produced by the catalytic chemical vapour deposition method (CCVD) in the presence of acetylene gas at temperatures ranging from 400°C to 700°C. The fly ash and its carbonaceous products were characterized by transmission electron microscopy (TEM), thermogravimetric analysis (TGA), laser Raman spectroscopy and Brunauer-Emmett-Teller (BET) surface area measurements. It was observed that as-received fly ash was capable of producing CNFs in high yield by CCVD, starting at a relatively low temperature of 400°C. Laser Raman spectra and TGA thermograms showed that the carbonaceous products which formed were mostly disordered. Small bundles of CNTs and CNFs observed by TEM and energy-dispersive spectroscopy (EDS) showed that the catalyst most likely responsible for CNF formation was iron in the form of cementite; X-ray diffraction (XRD) and Mössbauer spectroscopy confirmed these findings.

  13. Lanthanide nitrates as Lewis acids in the one-pot synthesis of 1,2,4-oxadiazole derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Vale, Juliana A.; Faustino, Wagner M., E-mail: julianadqf@yahoo.com.br [Departamento de Quimica, Universidade Federal da Paraiba, Joao Pessoa, PB (Brazil); Zampieri, Davila de S.; Moran, Paulo J.S.; Rodrigues, Jose A.R. [Instituto de Quimica, Universidade Estadual de Campinas, SP (Brazil); Sa, Gilberto F. de [Departamento de Quimica Fundamental, CCEN, Universidade Federal de Pernambuco, Recife, PE (Brazil)

    2012-08-15

    In this work we report the use of lanthanide nitrates [Ln(NO{sub 3}){sub 3}] acting as catalyst in direct one pot synthesis of 3-benzoyl- and 3-acetyl-1,2,4-oxadiazoles derivatives from ketones, nitriles and nitric acid. This is the first example of one-pot synthesis of benzoyl- and acetyl 1,2,4-oxadiazoles derivatives preparation using acetophenones derivates with electron-donator groups. (author)

  14. Clean and Green Synthesis of New Benzothiazole Derivatives via Electrochemical Oxidation of Catechol Derivatives

    Directory of Open Access Journals (Sweden)

    Mansour Arab Chamjangali

    2016-06-01

    Full Text Available Electrochemical oxidation of the catechols 1a and 1b is studied in the presence of 6-methyl-2-thouracil (3b and 6-propyl-2-thiouracil (3a as nucleophiles in a phosphate buffer (0.15 mol L−1, pH = 6.8/DMF (95:5 solution using cyclic voltammetry and controlled-potential coulometry. The results obtained indicate that the quinones derived from the catechols participate in 1,4-Michael-addition reactions with the nucleophiles to form the corresponding new benzothiazole compounds. In this work, we derive a variety of products with good yields using controlled potential at graphite electrodes in an undivided cell. This work is licensed under a Creative Commons Attribution 4.0 International License.

  15. Copper-catalyzed aerobic oxidative C-H functionalization of substituted pyridines: synthesis of imidazopyridine derivatives.

    Science.gov (United States)

    Yu, Jipan; Jin, Yunhe; Zhang, Hao; Yang, Xiaobo; Fu, Hua

    2013-12-02

    A novel, efficient, and practical method for the synthesis of imidazopyridine derivatives has been developed through the copper-catalyzed aerobic oxidative C-H functionalization of substituted pyridines with N-(alkylidene)-4H-1,2,4-triazol-4-amines. The procedure occurs by cleavage of the N-N bond in the N-(alkylidene)-4H-1,2,4-triazol-4-amines and activation of an aryl C-H bond in the substituted pyridines. This is the first example of the preparation of imidazopyridine derivatives by using pyridines as the substrates by transition-metal-catalyzed C-H functionalization. This method should provide a novel and efficient strategy for the synthesis of other nitrogen heterocycles. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Magnetic nanoparticle supported phosphotungstic acid: An efficient catalyst for the synthesis of xanthene derivatives

    Science.gov (United States)

    Patel, Nipun; Katheriya, Deepak; Dadhania, Harsh; Dadhania, Abhishek

    2018-05-01

    Magnetic nanoparticle supported phosphotungstic acid (Fe3O4@SiO2-HPW) was applied as a highly efficient catalyst for the synthesis of 14H-dibenzoxanthene derivatives via condensation reaction of 2-naphthol and aryl aldehydes. The catalyst was found highly efficient for the synthesis of xanthene derivatives under solvent free condition. The catalyst showed high activity and stability during the reaction and provided excellent yield of the corresponding products in short reaction time. All the synthesized compounds were characterized through FT-IR, 1H-NMR and 13C-NMR spectroscopic techniques. Furthermore, the catalyst is magnetically recoverable and can be reused several times without significant loss of its catalytic activity.

  17. Discovery of Antibiotics-derived Polymers for Gene Delivery using Combinatorial Synthesis and Cheminformatics Modeling

    Science.gov (United States)

    Potta, Thrimoorthy; Zhen, Zhuo; Grandhi, Taraka Sai Pavan; Christensen, Matthew D.; Ramos, James; Breneman, Curt M.; Rege, Kaushal

    2014-01-01

    We describe the combinatorial synthesis and cheminformatics modeling of aminoglycoside antibiotics-derived polymers for transgene delivery and expression. Fifty-six polymers were synthesized by polymerizing aminoglycosides with diglycidyl ether cross-linkers. Parallel screening resulted in identification of several lead polymers that resulted in high transgene expression levels in cells. The role of polymer physicochemical properties in determining efficacy of transgene expression was investigated using Quantitative Structure-Activity Relationship (QSAR) cheminformatics models based on Support Vector Regression (SVR) and ‘building block’ polymer structures. The QSAR model exhibited high predictive ability, and investigation of descriptors in the model, using molecular visualization and correlation plots, indicated that physicochemical attributes related to both, aminoglycosides and diglycidyl ethers facilitated transgene expression. This work synergistically combines combinatorial synthesis and parallel screening with cheminformatics-based QSAR models for discovery and physicochemical elucidation of effective antibiotics-derived polymers for transgene delivery in medicine and biotechnology. PMID:24331709

  18. Room-temperature Electrochemical Synthesis of Carbide-derived Carbons and Related Materials

    Energy Technology Data Exchange (ETDEWEB)

    Gogotsi, Yury [Drexel Univ., Philadelphia, PA (United States). Nanomaterials Group. Materials Science and Engineering Dept.

    2015-02-28

    This project addresses room-temperature electrochemical etching as an energy-efficient route to synthesis of 3D nanoporous carbon networks and layered 2D carbons and related structures, as well as provides fundamental understanding of structure and properties of materials produced by this method. Carbide-derived-carbons (CDCs) are a growing class of nanostructured carbon materials with properties that are desirable for many applications, such as electrical energy and gas storage. The structure of these functional materials is tunable by the choice of the starting carbide precursor, synthesis method, and process parameters. Moving from high-temperature synthesis of CDCs through vacuum decomposition above 1400°C and chlorination above 400°C, our studies under the previous DOE BES support led to identification of precursor materials and processing conditions for CDC synthesis at temperatures as low as 200°C, resulting in amorphous and highly reactive porous carbons. We also investigated synthesis of monolithic CDC films from carbide films at 250-1200°C. The results of our early studies provided new insights into CDC formation, led to development of materials for capacitive energy storage, and enabled fundamental understanding of the electrolyte ions confinement in nanoporous carbons.

  19. Solvent-Free Synthesis of Quaternary Metal Sulfide Nanoparticles Derived from Thiourea

    KAUST Repository

    Bhunia, Manas Kumar

    2017-08-09

    The synthesis of metal sulfide (MS) materials with sizes in the sub-10 nm regime often requires capping agents with long hydrocarbon chains that affect their structures and properties. Herein, this study presents a molten-state synthesis method for a series of transition-MS nanoparticles using thiourea as a reactive precursor without capping agents. This study also reports the synthesis of MS with single metals (Fe, Co, Ni, Cu, and Zn) and quaternary CuGa2In3S8 using the same synthesis protocol. Thiourea first melts to form a molten-state condition to serve as the reaction medium at a relatively low temperature (<200 °C), followed by its thermal decomposition to induce a reaction with the metal precursor to form different MS. This synthesis protocol, owing to its dynamic characteristics, involves the formation of a variety of organic carbon nitride polymeric complexes around the MS particles. Dynamic nuclear polarization surface-enhanced nuclear magnetic resonance spectroscopy is effective to identify the polymeric compositions and structures as well as their interactions with the MS. These results provided thorough structural descriptions of the MS nanoparticles surrounded by the carbon nitride species derived from thiourea, which may find various applications, including photocatalytic water splitting.

  20. Synthesis of the derivatives of 6-amino-uracil labelled with C-14

    Czech Academy of Sciences Publication Activity Database

    Elbert, Tomáš; Hezký, Petr; Jansa, Petr

    2016-01-01

    Roč. 59, č. 14 (2016), s. 615-618 ISSN 0362-4803. [International Isotope Symposium on the Synthesis and Applications of Isotopes and Isotopically Labelled Compounds /12./. Princeton, 07.06.2015-11.06.2015] R&D Projects: GA MŠk LG13002 Institutional support: RVO:61388963 Keywords : 6-amino-uracil derivatives * specific activity assay using NMR * [C-14]cyanoacetic acid Subject RIV: CC - Organic Chemistry Impact factor: 1.745, year: 2016

  1. Synthesis of novel kavain-like derivatives and evaluation of their cytotoxic activity

    Energy Technology Data Exchange (ETDEWEB)

    Amaral, Patricia de A.; Agustini, Taciane; Eifler-Lima, Vera L. [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre (Brazil). Faculdade de Farmacia. Lab. de Sintese Organica Medicinal; Petrignet, Julien; Cariou, Alexandre; Gree, Rene [Universite de Rennes 1, Rennes (France). Lab. de Chimie Therapeutique; Gouault, Nicolas; Lohezic-Ledevehat, Francoise; David, Michele [CNRS UMR, Universite de Rennes 1, Rennes (France). Lab. de Chimie et Photonique Moleculaires

    2009-07-01

    Palladium-catalyzed cross coupling reactions (Sonogashira-Hagihara, Suzuki-Miyaura, and Heck) coupling and nickel hydride-mediated tandem isomerization aldolisation have been used for the synthesis of three series of {delta}-valerolactones substituted in positions 3, 4, 5 and 6 of the lactone ring. The 26 kavaien-like derivatives were tested against three cell lines and five of them exhibited a weak cytotoxic activity. (author)

  2. Easy Access to Evans’ Oxazolidinones. Stereoselective Synthesis and Antibacterial Activity of a New 2-Oxazolidinone Derivative

    Directory of Open Access Journals (Sweden)

    Gaspar Diaz

    2014-06-01

    Full Text Available An interesting new approach was developed for the synthesis of Evans’ chiral auxiliaries with excellent yields. In turn, another new stereoselective and efficient strategy has also allowed for the preparation of a 2-oxazolidinone derivative in 34% overall yield from the Morita-Baylis-Hillman adduct. The antibacterial activity of this oxazolidinone was tested against Staphylococcus aureus strains isolated from animals with mastitis infections.

  3. Effect of structural promoters on Fe-based Fischer-Tropsch synthesis of biomass derived syngas

    Science.gov (United States)

    Pratibha Sharma; Thomas Elder; Leslie H. Groom; James J. Spivey

    2014-01-01

    Biomass gasification and subsequent conversion of this syngas to liquid hydrocarbons using Fischer–Tropsch (F–T) synthesis is a promising source of hydrocarbon fuels. However, biomass-derived syngas is different from syngas obtained from other sources such as steam reforming of methane. Specifically the H2/CO ratio is less than 1/1 and the CO

  4. Spin labeled amino acid nitrosourea derivatives--synthesis and antitumour activity.

    Science.gov (United States)

    Zheleva, A; Raikov, Z; Ilarionova, M; Todorov, D

    1995-01-01

    The synthesis of three spin labeled derivatives of N-[N'-(chloroethyl)-N'-nitrosocarbamoyl] amino acids is reported. The new nitrosoureas are obtained by condensation of the corresponding N-[N'-(2-chloroethyl)-N'-nitrosocarbamoyl] amino acid with 2,2,6,6-tetramethyl-1-oxyl-4-aminopiperidine using dicyclohexylcarbodiimide. Their chemical structures are confirmed by elemental analysis, IR, MS, and EPR spectroscopy. All newly synthesized compounds showed high antitumour activity against the lymphoid leukemia L1210 in BDF1 mice.

  5. Synthesis of D-fructose-derived spirocyclic 2-substituted-2-oxazoline ribosides

    Directory of Open Access Journals (Sweden)

    Madhuri Vangala

    2015-11-01

    Full Text Available The TMSOTf-mediated synthesis of β-configured spirocyclic 2-substituted-2-oxazoline ribosides was achieved using a “Ritter-like” reaction in toluene through nucleophilic addition of electron-rich nitriles to the oxacarbenium ion intermediate of 1,2;3,4-di-O-isopropylidene-β-D-psicofuranose derivatives with concomitant intramolecular trapping of the C2 hydroxymethyl group on the electrophilic nitrilium carbon. These carbohydrate-derived spirooxazolines are stable and were obtained in good yield with high stereoselectivity due to the conformational rigidity imparted by the 3,4-isopropylidene group.

  6. Multifaceted Strategy for the Synthesis of Diverse 2,2'-Bithiophene Derivatives

    Directory of Open Access Journals (Sweden)

    Stanisław Krompiec

    2015-03-01

    Full Text Available New catalytically or high pressure activated reactions and routes, including coupling, double bond migration in allylic systems, and various types of cycloaddition and dihydroamination have been used for the synthesis of novel bithiophene derivatives. Thanks to the abovementioned reactions and routes combined with non-catalytic ones, new acetylene, butadiyne, isoxazole, 1,2,3-triazole, pyrrole, benzene, and fluoranthene derivatives with one, two or six bithiophenyl moieties have been obtained. Basic sources of crucial substrates which include bithiophene motif for catalytic reactions were 2,2'-bithiophene, gaseous acetylene and 1,3-butadiyne.

  7. Synthesis and antimycobacterial activity of isoniazid derivatives from renewable fatty acids.

    Science.gov (United States)

    Rodrigues, Marieli O; Cantos, Jéssica B; D'Oca, Caroline R Montes; Soares, Karina L; Coelho, Tatiane S; Piovesan, Luciana A; Russowsky, Dennis; da Silva, Pedro A; D'Oca, Marcelo G Montes

    2013-11-15

    This work describes the synthesis of a series of fatty acid hydrazide derivatives of isoniazid (INH). The compounds were tested against Mycobacterium tuberculosis H37Rv (ATCC 27294) as well as INH-resistant (ATCC 35822 and 1896 HF) and rifampicin-resistant (ATCC 35338) M. tuberculosis strains. The fatty acid derivatives of INH showed high antimycobacterial potency against the studied strains, which is desirable for a pharmaceutical compound, suggesting that the increased lipophilicity of isoniazid plays an important role in its antimycobacterial activity. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. Synthesis of biotinyl derivatives of peptide hormones and other biological materials

    International Nuclear Information System (INIS)

    Finn, F.M.; Hofmann, K.H.

    1985-01-01

    Methods for the preparation of biotinylated ligands for the avidin-biotin system are described. Also described are procedures for modifying and labelling avidin and for assessing the rate of dissociation of biotin derivatives from avidin. The most widely used procedure for introducing biotin into other molecules involves acylation with N-hydroxysuccinimido-biotinate. Experimental details are given for the synthesis of dethiobiotin, iminobiotin, and biotinylated ligands in which a 6-aminohexanoic acid spacer is interposed between the biotin or biotin derivative and the insulin molecule. The syntheses of biotinylated corticotropins are presented only in principle

  9. Polycyclic Aromatic Compounds as Anticancer Agents: Synthesis and Biological Evaluation of Methoxy Dibenzofluorene Derivatives

    Directory of Open Access Journals (Sweden)

    Bimal Krishna Banik

    2014-08-01

    Full Text Available Synthesis of a new methoxy dibenzofluorene through alkylation, cyclodehydration and aromatization in a one-pot operation is achieved for the first time. Using this hydrocarbon, a few derivatives are prepared through aromatic nitration, catalytic hydrogenation, coupling reaction with a side chain and reduction. The benzylic position of this hydrocarbon with the side chain is oxidized and reduced. Some of these derivatives have demonstrated excellent antitumor activities in vitro. This study confirms antitumor activity depends on the structures of the molecules.

  10. Synthesis and characterization of zeolite material from coal ashes modified by surfactant; Sintese e caracterizacao de material zeolitico de cinzas de carvao modificado por surfactante

    Energy Technology Data Exchange (ETDEWEB)

    Fungaro, D.A., E-mail: dfungaro@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (CQMA/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Quimica e Meio Ambiente; Borrely, S.I. [Instituto de Pesquisas Energeticas e Nucleares (CTR/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Tecnologia das Radiacoes

    2010-07-01

    Coal ash was used as starting material for zeolite synthesis by means of hydrothermal treatment. The surfactant-modified zeolite (SMZ) was prepared by adsorbing the cationic surfactant hexadecyltrimethylammonium bromide (HDTMA-Br) on the external surface of the zeolite from coal ash. The zeolite structure stability was monitored during the characterization of the materials by FTIR, XDR and SEM. The structural parameters of surfactant-modified zeolite are very close to that of corresponding non-modified zeolite which indicates that the crystalline nature of the zeolite remained intact after required chemical treatment with HDTMA-Br molecules and heating treatment for drying. The most intense peaks in the FTIR spectrum of HDTMA-Br were observed in SMZ spectrum confirming adsorption of surfactant on zeolites. (author)

  11. Burning characteristics and gaseous/solid emissions of blends of pulverized coal with waste tire-derived fuel

    Energy Technology Data Exchange (ETDEWEB)

    Levendis, Y.A.; Atal, A.; Courtemanche, B.; Carlson, J.B. [Northeastern University, Boston, MA (United States). Dept. of Mechanical, Industrial and Manufacturing Engineering

    1998-10-01

    The combustion behaviour and the emissions from blends of a pulverized bituminous coal and ground waste automobile tires were investigated. Combustion took place under steady flow conditions, in an electrically-heated drop-tube furnace in air at a gas temperature of 1150{degree}C and a particle heating rate of approximate to 10{sup 5}{degree}C/s. Combustion observations were conducted with simultaneous pyrometry and cinematography. Interparticle flame interactions were visually observed in the near-stoichiometric and fuel-rich regions. Volatile flame interactions were apparent at a lower phi for tire crumb particles than for coal particles and became progressively more intense with increasing phi until at sufficiently high phi`s large group flames formed for tire particles. As particle flame interactions increased, average maximum temperatures in the flame decreased. Coal particles resisted the formation of group flames, even at high phi`s. Such observations correlated with the trends observed for the PAH emissions of the two fuels, those of tire crumb being much higher than those of coal Some stratification in the combustion of blends of particles of the two fuels was observed. This kept the PAH emissions lower levels than expected. NO{sub x} emissions from tires were much lower than those of coal, while those of the blends were close to the weighted average emissions. SO{sub 2} emissions from the blends were close to the weighted average emissions of the two fuels. Blending coal with tire reduced the CO{sub 2} emissions of coal but increased the CO emissions. Particulate emissions (soot and ash), measured in the range of 0.4 to 8{mu}m, increased with phi. Generally, tire produced more mass of submicron particulates than coal. Particulate emissions of blends of the two fuels were close to those expected based on weighted average of the two fuels.

  12. Development and optimization of the synthesis of new thiazolidin-4-one derivatives of ibuprofen.

    Science.gov (United States)

    Vasincu, Ioana; Apotrosoaei, Maria; Panzariu, Andreea; Buron, F; Routier, S; Profire, Lenuta

    2014-01-01

    Ibuprofen, an important nonsteroidal anti-inflammatory agent, is one of the most prescribed drugs for the treatment of pain and inflammation from various rheumatic diseases, but some side effects can occur on long-term use. The method for synthesis optimization of new derivatives of Ibuprofen with thiazolidin-4-one moiety, with improved pharmacological and toxicological profile. To optimize the derivatization method of free carboxyl group of Ibuprofen (2-(4-isobutylphenyl)propionic acid) the reaction conditions were varied (reagent ratio, catalyst, reaction medium). The most favorable method was proved to be the reaction between ibuprofen hydrazone and mercaptoacetic acid, in excess, at 80-85 degrees C, for 6 h with 96% conversion rate. The synthesis of 2-phenyl-3-[2-(4-(isobutyl)phenyl)-2-methyl]acetamido-thiazolidin-4-one derivative was optimized in view of applying it as a general procedure for the synthesis of other derivatives with related structure. The chemical structure and molecular weight of the synthesized compound were confirmed by spectral methods (IR, 1H NMR, 13C NMR, HR-MS).

  13. Synthesis of novel (-)-epicatechin derivatives as potential endothelial GPER agonists: Evaluation of biological effects.

    Science.gov (United States)

    Sarmiento, Viviana; Ramirez-Sanchez, Israel; Moreno-Ulloa, Aldo; Romero-Perez, Diego; Chávez, Daniel; Ortiz, Miguel; Najera, Nayelli; Correa-Basurto, Jose; Villarreal, Francisco; Ceballos, Guillermo

    2018-02-15

    To potentially identify proteins that interact (i.e. bind) and may contribute to mediate (-)-epicatechin (Epi) responses in endothelial cells we implemented the following strategy: 1) synthesis of novel Epi derivatives amenable to affinity column use, 2) in silico molecular docking studies of the novel derivatives on G protein-coupled estrogen receptor (GPER), 3) biological assessment of the derivatives on NO production, 4) implementation of an immobilized Epi derivative affinity column and, 5) affinity column based isolation of Epi interacting proteins from endothelial cell protein extracts. For these purposes, the Epi phenol and C3 hydroxyl groups were chemically modified with propargyl or mesyl groups. Docking studies of the novel Epi derivatives on GPER conformers at 14 ns and 70 ns demostrated favorable thermodynamic interactions reaching the binding site. Cultures of bovine coronary artery endothelial cells (BCAEC) treated with Epi derivatives stimulated NO production via Ser1179 phosphorylation of eNOS, effects that were attenuated by the use of the GPER blocker, G15. Epi derivative affinity columns yielded multiple proteins from BCAEC. Proteins were electrophoretically separated and inmmunoblotting analysis revealed GPER as an Epi derivative binding protein. Altogether, these results validate the proposed strategy to potentially isolate and identify novel Epi receptors that may account for its biological activity. Copyright © 2018 Elsevier Ltd. All rights reserved.

  14. Hydrothermal Synthesis of Zeolite from Coal Class F Fly Ash. Influence of Temperature

    Directory of Open Access Journals (Sweden)

    Goñi, S.

    2010-06-01

    Full Text Available The influence of temperature of alkaline hydrothermal treatment on the conversion in zeolite of Spanish coal low calcium-fly ash (ASTM class F is presented in this work. Zeolite Na-P1 gismondine type (Na6Al6Si10O32.12H2O was formed at the temperature of 100ºC, which transformed in zeolite; analcime-C type (Na(Si2AlO6H2O and sodalite (1.08 Na2O.Al2O3.1.68SiO2.1.8H2O at 200ºC together with traces of tobermorite-11Å (Ca5(OH2Si6O16.4H2O. At this temperature the 100% of the fly ash reaction was allowed. An equivalent study was carried out in water as reference. The zeolite conversion of the fly ash was characterized by X ray diffraction (XRD, FT infrared (FTIR spectroscopy, surface area (BET-N2 and thermal analyses.

    En este trabajo se presenta el papel que juega la temperatura durante el tratamiento hidrotermal en medio alcalino para convertir una ceniza volante de bajo contenido en cal (clase F, según la norma ASTM en zeolita. Durante este tratamiento a la temperatura de 100ºC se forma Zeolita Na-P1 tipo gismondina (Na6Al6Si10O32.12H2O; al elevar la temperatura a 200ºC, dicha zeolita se transforma en zeolita Analcima C (Na(Si2AlO6H2O y en fase sodalita (1.08 Na2O.Al2O3.1.68SiO2.1.8H2O junto con trazas de tobermorita-11Å (Ca5(OH2Si6O16.4H2O. A esta temperatura y en estas condiciones se ha conseguido un 100% de reacción. Un estudio equivalente se ha llevado a cabo empleando agua como medio de referencia. La conversión de ceniza volante en zeolita se ha caracterizado mediante técnicas, como difracción de Rayos X (DRX, espectroscopia

  15. Synthesis of pyrido[1,2-a]benzimidazoles and other fused imidazole derivatives with a bridgehead nitrogen atom

    Science.gov (United States)

    Begunov, Roman S.; Ryzvanovich, Galina A.

    2013-01-01

    Main methods for the synthesis of fused imidazole derivatives with a bridgehead nitrogen atom are systematically considered and summarized. The reaction mechanisms that underlie the methods for the synthesis of pyrido[1,2-a]benzimidazoles and related compounds are described. Biological properties and mechanisms of the biological activity of fused azaheterocycles are discussed. The bibliography includes 152 references.

  16. Synthesis of N-methyl-N-formyltyramine, a new {beta}-phenethylamide derivative isolated from Cyathobasis fruticulosa (Bunge) aellen

    Energy Technology Data Exchange (ETDEWEB)

    Larghi, Enrique L.; Kaufman, Teodoro S. [Universidad Nacional de Rosario, Rosario (Argentina). Instituto de Quimica Organica de Sintesis (IQUIOS); Universidad Nacional de Rosario, Rosario (Argentina). Facultad de Ciencias Bioquimicas y Farmaceuticas; E-mail: tkaufman@fbioyf.unr.edu.ar

    2006-05-15

    The synthesis of N-methyl-N-formyltyramine, a novel {beta}-phenethylamide derivative isolated from Cyathobasis fructiculosa (Bunge) Aellen, is reported. The natural product was prepared in six steps and good overall yield from 4-hydroxybenzaldehyde. (author)

  17. Correction: Synthesis of pyrrolidine-3-carboxylic acid derivatives via asymmetric Michael addition reactions of carboxylate-substituted enones.

    Science.gov (United States)

    Yin, Feng; Garifullina, Ainash; Tanaka, Fujie

    2018-04-25

    Correction for 'Synthesis of pyrrolidine-3-carboxylic acid derivatives via asymmetric Michael addition reactions of carboxylate-substituted enones' by Feng Yin et al., Org. Biomol. Chem., 2017, 15, 6089-6092.

  18. Coal geopolitics

    International Nuclear Information System (INIS)

    Giraud, P.N.; Suissa, A.; Coiffard, J.; Cretin, D.

    1991-01-01

    This book divided into seven chapters, describes coal economic cycle. Chapter one: coals definition; the principle characteristics and properties (origin, calorific power, international classification...) Chapter two: the international coal cycle: coal mining, exploration, coal reserves estimation, coal handling coal industry and environmental impacts. Chapter three: the world coal reserves. Chapter four: the consumptions, productions and trade. Chapter five: the international coal market (exporting mining companies; importing companies; distributors and spot market operators) chapter six: the international coal trade chapter seven: the coal price formation. 234 refs.; 94 figs. and tabs [fr

  19. Enzymatic Synthesis of Fatty Hydroxamic Acid Derivatives Based on Palm Kernel Oil

    Directory of Open Access Journals (Sweden)

    Sidik Silong

    2011-08-01

    Full Text Available Fatty hydroxamic acid derivatives were synthesized using Lipozyme TL IM catalyst at biphasic medium as the palm kernel oil was dissolved in hexane and hydroxylamine derivatives were dissolved in water: (1 N-methyl fatty hydroxamic acids (MFHAs; (2 N-isopropyl fatty hydroxamic acids (IPFHAs and (3 N-benzyl fatty hydroxamic acids (BFHAs were synthesized by reaction of palm kernel oil and N-methyl hydroxylamine (N-MHA, N-isopropyl hydroxylamine (N-IPHA and N-benzyl hydroxylamine (N-BHA, respectively. Finally, after separation the products were characterized by color testing, elemental analysis, FT-IR and 1H-NMR spectroscopy. For achieving the highest conversion percentage of product the optimum molar ratio of reactants was obtained by changing the ratio of reactants while other reaction parameters were kept constant. For synthesis of MFHAs the optimum mol ratio of N-MHA/palm kernel oil = 6/1 and the highest conversion was 77.8%, for synthesis of IPFHAs the optimum mol ratio of N-IPHA/palm kernel oil = 7/1 and the highest conversion was 65.4% and for synthesis of BFHAs the optimum mol ratio of N-BHA/palm kernel oil = 7/1 and the highest conversion was 61.7%.

  20. Synthesis and preliminary biological evaluations of (+)-isocampholenic acid-derived amides.

    Science.gov (United States)

    Grošelj, Uroš; Golobič, Amalija; Knez, Damijan; Hrast, Martina; Gobec, Stanislav; Ričko, Sebastijan; Svete, Jurij

    2016-08-01

    The synthesis of two novel (+)-isocampholenic acid-derived amines has been realized starting from commercially available (1S)-(+)-10-camphorsulfonic acid. The novel amines as well as (+)-isocampholenic acid have been used as building blocks in the construction of a library of amides using various aliphatic, aromatic, and amino acid-derived coupling partners using BPC and CDI as activating agents. Amide derivatives have been assayed against several enzymes that hold potential for the development of new drugs to battle bacterial infections and Alzheimer's disease. Compounds 20c and 20e showed promising selective sub-micromolar inhibition of human butyrylcholinesterase [Formula: see text] ([Formula: see text] values [Formula: see text] and [Formula: see text], respectively).

  1. Thioxopyrimidine in Heterocyclic Synthesis I: Synthesis of Some Novel 6-(Heteroatom-substituted-(thiopyrimidine Derivatives

    Directory of Open Access Journals (Sweden)

    Yuh-Wen Ho

    2013-01-01

    Full Text Available A series of novel N-cycloalkanes, morpholine, piperazines, pyrazole, pyrimidine, benzimidazolo[1,2-a]pyrimidine, 1,2,3,4-tetrazolo[1,5-a]pyrimidine, azopyrazolo[1,5- a]pyrimidine, pyrimido[4', 5':3,4]pyrazolo[1,5-a]pyrimidines and pyridine derivatives incorporating a 5-cyano-4-methyl-2-phenyl-(thiopyrimidine moiety were obtained by the intramolecular cyclization of 6-methylthio-pyrimidine, 6-(benzoylmethylthio- pyrimidine and 2-[(5-cyano-4-methyl-2-phenylpyrimidin-6-ylthio]-3-dimethyl- amino-1-phenyl-prop-2-en-1-one with appropriate amines and enaminone compounds, respectively. The structure of all new synthesized compounds was established from their spectral data, elemental analysis and the X-ray crystal analysis.

  2. Novel Fluorinated Indanone, Tetralone and Naphthone Derivatives: Synthesis and Unique Structural Features

    Directory of Open Access Journals (Sweden)

    Joseph C. Sloop

    2012-02-01

    Full Text Available Several fluorinated and trifluoromethylated indanone, tetralone and naphthone derivatives have been prepared via Claisen condensations and selective fluorinations in yields ranging from 22–60%. In addition, we report the synthesis of new, selectively fluorinated bindones in yields ranging from 72–92%. Of particular interest is the fluorination and trifluoroacetylation regiochemistry observed in these fluorinated products. We also note unusual transformations including a novel one pot, dual trifluoroacetylation, trifluoroacetylnaphthone synthesis via a deacetylation as well as an acetyl-trifluoroacetyl group exchange. Solid-state structural features exhibited by these compounds were investigated using crystallographic methods. Crystallographic results, supported by spectroscopic data, show that trifluoroacetylated ketones prefer a chelated cis-enol form whereas fluorinated bindone products exist primarily as the cross-conjugated triketo form.

  3. Chiral thiazoline and thiazole building blocks for the synthesis of peptide-derived natural products.

    Science.gov (United States)

    Just-Baringo, Xavier; Albericio, Fernando; Alvarez, Mercedes

    2014-01-01

    Thiazoline and thiazole heterocycles are privileged motifs found in numerous peptide-derived natural products of biological interest. During the last decades, the synthesis of optically pure building blocks has been addressed by numerous groups, which have developed a plethora of strategies to that end. Efficient and reliable methodologies that are compatible with the intricate and capricious architectures of natural products are a must to further develop their science. Structure confirmation, structure-activity relationship studies and industrial production are fields of paramount importance that require these robust methodologies in order to successfully bring natural products into the clinic. Today's chemist toolbox is assorted with many powerful methods for chiral thiazoline and thiazole synthesis. Ranging from biomimetic approaches to stereoselective alkylations, one is likely to find a suitable method for their needs.

  4. Synthesis and characterization of ester and amide derivatives of titanium(IV) carboxymethylphosphonate

    International Nuclear Information System (INIS)

    Melánová, Klára; Beneš, Ludvík; Trchová, Miroslava; Svoboda, Jan; Zima, Vítězslav

    2013-01-01

    A set of layered ester and amide derivatives of titanium(IV) carboxymethylphosphonate was prepared by solvothermal treatment of amorphous titanium(IV) carboxymethylphosphonate with corresponding 1-alkanols, 1,ω-alkanediols, 1-aminoalkanes, 1,ω-diaminoalkanes and 1,ω-amino alcohols and characterized by powder X-ray diffraction, IR spectroscopy and thermogravimetric analysis. Whereas alkyl chains with one functional group form bilayers tilted to the layers, 1,ω-diaminoalkanes and most of 1,ω-alkanediols form bridges connecting the adjacent layers. In the case of amino alcohols, the alkyl chains form bilayer and either hydroxyl or amino group is used for bonding. This simple method for the synthesis of ester and amide derivatives does not require preparation of acid chloride derivative as a precursor or pre-intercalation with alkylamines and can be used also for the preparation of ester and amide derivatives of titanium carboxyethylphosphonate and zirconium carboxymethylphosphonate. - Graphical abstract: Ester and amide derivatives of layered titanium carboxymethylphosphonate were prepared by solvothermal treatment of amorphous solid with alkanol or alkylamine. - Highlights: • Ester and amide derivatives of titanium carboxymethylphosphonate. • Solvothermal treatment of amorphous solid with alkanol or alkylamine. • Ester and amide formation confirmed by IR spectroscopy

  5. Synthesis and antibacterial characterization of sustainable nanosilver using naturally-derived macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Osonga, Francis J.; Kariuki, Victor M.; Yazgan, Idris; Jimenez, Apryl; Luther, David; Schulte, Jürgen; Sadik, Omowunmi A., E-mail: osadik@binghamton.edu

    2016-09-01

    Greener nanosynthesis utilizes fewer amounts of materials, water, and energy; while reducing or replacing the need for organic solvents. A novel approach is presented using naturally-derived flavonoids including Quercetin pentaphosphate (QPP), Quercetin sulfonic acid (QSA) and Apigenin Triphosphate (ATRP). These water soluble, phosphorylated flavonoids were utilized both as reducing agent and stabilizer. The synthesis was achieved at room temperature using water as a solvent and it requires no capping agents. The efficiency of the resulting silver nanoparticle synthesis was compared with naturally-occurring flavonoid such as Quercetin (QCR). Results show that QCR reduced Ag{sup +} faster followed by QPP, QSA and ATRP respectively. This is the first evidence of direct utilization of QCR for synthesis of silver nanoparticles (AgNPs) in water. The percentage conversion of Ag{sup +} to Ag{sup 0} was determined to be 96% after 35 min. The synthesized nanoparticles were characterized using Transmission electron microscopy (TEM), Energy dispersive absorption spectroscopy (EDS), UV–vis spectroscopy, High resolution TEM (HR-TEM) with selected area electron diffraction (SAED). The particle sizes ranged from 2 to 80 nm with an average size of 22 nm and in the case of ATRP, the nanoparticle shapes varied from spherical to hexagonal with dispersed particle size ranging from 2 to 30 nm. Crystallinity was confirmed by XRD and the SAED of (111), (200), and the fringes observed in HRTEM images. Results were in agreement with the UV resonance peaks of 369–440 nm. The particles also exhibit excellent antibacterial activity against Staphylococcus epidermidis, Escherichia coli and Citrobacter freundii in water. - Highlights: • Greener nanosilver prepared using flavonoid derivatives • Synthesized nanosilver exhibits exhibit antibacterial activity. • Approach suitable for industrial synthesis.

  6. Integration of Fermentation and Organic Synthesis: Studies of Roquefortine C and Biosynthetic Derivatives

    Science.gov (United States)

    Gober, Claire Marie

    Roquefortine C is one of the most ubiquitous indoline alkaloids of fungal origin. It has been isolated from over 30 different species of Penicillium fungi and has garnered attention in recent years for its role as a biosynthetic precursor to the triazaspirocyclic natural products glandicoline B, meleagrin, and oxaline. The triazaspirocyclic motif, which encompasses three nitrogen atoms attached to one quaternary carbon forming a spirocyclic scaffold, is a unique chemical moiety that has been shown to impart a wide array of biological activity, from anti-bacterial activity and antiproliferative activity against cancer cell lines to anti-biofouling against marine organisms. Despite the promise of these compounds in the pharmaceutical and materials industries, few syntheses of triazaspirocycles exist in the literature. The biosynthesis of roquefortine C-derived triazaspirocycles, however, provides inspiration for the synthesis of these compounds, namely through a nitrone-promoted transannular rearrangement. This type of internal rearrangement has never been carried out synthetically and would provide an efficient stereoselective synthesis of triazaspirocycles. This work encompasses efforts towards elucidating the biosynthetic pathway of roquefortine C-derived triazaspirocycles as well as synthetic efforts towards the construction of triazaspirocycles. Chapter 1 will discuss a large-scale fermentation procedure for the production of roquefortine C from Penicillium crustosum. Chapters 2 and 3 explore (through enzymatic and synthetic means, respectively) the formation of the key indoline nitrone moiety required for the proposed transannular rearrangement. Finally, chapter 4 will discuss synthetic efforts towards the synthesis of triazaspirocycles. This work has considerably enhanced our understanding of the roquefortine C biosynthetic pathway and the unique chemistry of this natural product, and our efforts towards the synthesis of triazaspirocycles will facilitate the

  7. Synthesis and enhanced neuroprotective activity of C60-based ebselen derivatives

    International Nuclear Information System (INIS)

    Liu, X.-F.; Guan, W.-C.; Ke, W.-S.

    2007-01-01

    A C 60 -based ebselen derivative 4 was synthesized through the cycloaddition of C 60 with the azide (3) containing the ebselen component. It was obtained in a four-step synthesis starting from 2-(chloroseleno)benzoyl chloride and 2-(2-aminoethoxy)ethanol in 53% yield (based on consumed C 60 ). Its structure was characterized by 1 H NMR, 13 C NMR, IR, UV, and FAB-MS. To verify that the C 60 -based ebselen derivative 4 had enhanced antioxidative and neuroprotective activity, the C 60 derivative 5 and the ebselen derivative 6 were selected to treat cortical neuronal cells using the same procedures as with the C 60 -based ebselen derivative 4. The cellular viability of different derivative treatment groups was estimated by LDH leakage assay and MTT assay. At the same final concentration (30 μmol/L), the results showed that the antioxidative and protective potencies of the C 60 -based ebselen derivative 4 (MTT (OD) 0.340 ± 0.035, LDH release (UL -1 ) 4.80 ± 0.16) against H 2 O 2 -mediated neuronal injury have an advantage over those of C 60 derivative 5 (MTT (OD) 0.297 ± 0.036, LDH release (UL -1 ) 5.37 ± 0.31) and ebselen derivative 6 (MTT (OD) 0.267 ± 0.027, LDH release (UL -1 ) 5.85 ± 0.26). Correspondingly, the GPX activity of 4 (1.62 U/μmol) was higher than that of 5 (0.77 U/μmol) and 6 (1.24 U/μmol). These findings demonstrate that the incorporation of two components with similar biological activity (C 60 component and ebselen component) may be a desirable way of obtaining a new and more biologically effective C 60 -based compound. (author)

  8. DESIGNING AND OPPORTUNITY FUEL WITH BIOMASS AND TIRE-DERIVED FUEL FOR COFIRING AT WILLOW ISLAND GENERATING STATION AND COFIRING SAWDUST WITH COAL AT ALBRIGHT GENERATING STATION

    Energy Technology Data Exchange (ETDEWEB)

    K. Payette; D. Tillman

    2004-06-01

    During the period July 1, 2000-March 31, 2004, Allegheny Energy Supply Co., LLC (Allegheny) conducted an extensive demonstration of woody biomass cofiring at its Willow Island and Albright Generating Stations. This demonstration, cofunded by USDOE and Allegheny, and supported by the Biomass Interest Group (BIG) of EPRI, evaluated the impacts of sawdust cofiring in both cyclone boilers and tangentially-fired pulverized coal boilers. The cofiring in the cyclone boiler--Willow Island Generating Station Unit No.2--evaluated the impacts of sawdust alone, and sawdust blended with tire-derived fuel. The biomass was blended with the coal on its way to the combustion system. The cofiring in the pulverized coal boiler--Albright Generating Station--evaluated the impact of cofiring on emissions of oxides of nitrogen (NO{sub x}) when the sawdust was injected separately into the furnace. The demonstration of woody biomass cofiring involved design, construction, and testing at each site. The results addressed impacts associated with operational issues--capacity, efficiency, and operability--as well as formation and control of airborne emissions such as NO{sub x}, sulfur dioxide (SO{sub 2}2), opacity, and mercury. The results of this extensive program are detailed in this report.

  9. Preliminary evaluation of ground-water contamination by coal-tar derivatives, St. Louis Park area, Minnesota

    Science.gov (United States)

    Hult, Marc F.; Schoenberg, Michael E.

    1984-01-01

    Operation of a coal-tar distillation and wood-preserving plant from 1918 to 1972 in St. Louis Park, a suburb of Minneapolis, Minn., resulted in ground-water contamination. This preliminary evaluation presents an overview of the problem based on the results of the first year (1979) of an ongoing study.

  10. Synthesis of Gibberellic Acid Derivatives and Their Effects on Plant Growth

    Directory of Open Access Journals (Sweden)

    Hao Tian

    2017-04-01

    Full Text Available A series of novel C-3-OH substituted gibberellin derivatives bearing an amide group were designed and synthesized from the natural product gibberellic acid (GA3. Their activities on the plant growth regulation of rice and Arabidopsis were evaluated in vivo. Among these compounds, 10d and 10f exhibited appreciable inhibitory activities on rice (48.6% at 100 μmol/L and Arabidopsis (41.4% at 100 μmol/L, respectively. These results provide new insights into the design and synthesis of potential plant growth regulators.

  11. Synthesis and evaluation of the plant growth regulator property of indolic compounds derived from safrole

    International Nuclear Information System (INIS)

    Marchi, Irineu; Rebelo, Ricardo Andrade; Rosa, Flavia A. Fernandes da; Maiochi, Riceli A.

    2007-01-01

    The present work describes the use of piperonal, a derivative of the secondary metabolite safrole, for the synthesis of new 5,6-methylenedioxy substituted indole carboxylic acids structurally related to the indol-3-yl-acetic acid (AIA, I). The route comprises six steps beginning with piperonal with an overall yield of 19%. Compound IX was tested towards its plant growth regulator properties in bioassays specific for auxine activity. The in vitro assays were performed in a germination chamber and were of two types: root growth in germinated seeds of Lactuca sativa, Cucumbis sativus and Raphanus sativus and peciole biotest using Phaseolus vulgaris. (author)

  12. Synthesis and spectroscopic characterization of a fluorescent pyrrole derivative containing electron acceptor and donor groups

    Science.gov (United States)

    Almeida, A. K. A.; Monteiro, M. P.; Dias, J. M. M.; Omena, L.; da Silva, A. J. C.; Tonholo, J.; Mortimer, R. J.; Navarro, M.; Jacinto, C.; Ribeiro, A. S.; de Oliveira, I. N.

    2014-07-01

    The synthesis and fluorescence characterization of a new pyrrole derivative (PyPDG) containing the electron donor-acceptor dansyl substituent is reported. The effects of temperature and solvent polarity on the steady-state fluorescence of this compound are investigated. Our results show that PyPDG exhibits desirable fluorescent properties which makes it a promising candidate to be used as the photoactive material in optical thermometry and thermography applications. Further, the electrochemical and emission properties of polymeric films obtained from the oxidation polymerization of PyPDG are also analyzed.

  13. Synthesis and Characterization of New Polyamides from 1,2-Bis hydrazine Derivatives

    International Nuclear Information System (INIS)

    Salaha, A.; Abdel-Bary, E.M.; Kandilea, N.G.

    2005-01-01

    Preparation of polyamides having different chemical structures allows obtaining new materials with different mechanical and physical properties. The difference in the chemical structure depends mainly on the starting reactants used in condensation polymerization of polyamides. In this paper the synthesis of new polyamides based on the condensation polymerization of 1,2- Bis(3-carboxyacryloyl or carboxybenzoyl) hydrazine derivatives and various diamines has been described. The polymers obtained were characterized using spectroscopic and X-ray analysis. Besides thermal stability and electrical conductivity have been evaluated and correlated with the chemical structure of the polyamides obtained

  14. Synthesis of templated carbons starting from clay and clay-derived zeolites for hydrogen storage applications

    CSIR Research Space (South Africa)

    Musyoka, Nicholas M

    2014-10-01

    Full Text Available 57 58 59 60 For Peer Review 1 Synthesis of templated carbons starting from clay and clay-derived zeolites for hydrogen storage applications N. M. Musyoka1*, J. Ren1, H. W. Langmi1, D. E. C. Rogers1, B. C. North1, M. Mathe1 and D. Bessarabov2... clear (filtered) extract of cloisite clay, SNC for zeolite from unfiltered cloisite clay extract and SBC for zeolite from unfiltered South African bentonite clay extract. Furfuryl alcohol (Sigma Aldrich, C5H6O2, 98%) and Ethylene gas were used...

  15. Biological evaluation and simple method for the synthesis of tetrahydrobenzo[a]xanthenes-11-one derivatives

    Directory of Open Access Journals (Sweden)

    Ali Akbari

    2017-01-01

    Full Text Available A simple method for the synthesis of Tetrahydrobenzo[a]xanthenes-11-one derivatives in the presence of BF3.SiO2, and its antibacterial activity was assessed against Pseudomonas syringae, Xanthomonas citi and Pectobacterium carotovorum. The structure of the isolated compounds has been determined by means of 1H/13C NMR and FT-IR spectroscopy. The reactions were carried out in water at room temperature for 5 h. This method has some advantages such as good to excellent yield, mild reaction condition, ease of operation and workup, high product purity and green process.

  16. Novel Routes to Ethylene Glycol Synthesis via Acid-Catalyzed Carbonylation of Formaldehyde and Dimethoxymethane

    OpenAIRE

    Celik, Fuat Emin

    2010-01-01

    Carbon-carbon bond forming carbonylation reactions were investigated as candidates to replace ethene epoxidation as the major source of ethylene glycol production. This work was motivated by the potentially lower cost of carbon derived from synthesis gas as compared to ethylene. Synthesis gas can be produced from relatively abundant and cheap natural gas, coal, and biomass resources whereas ethylene is derived from increasingly scarce and expensive crude oil. From synthesis gas, a range of...

  17. Synthesis, characterization and biological behavior of some Schiff's and Mannich base derivatives of Lamotrigine

    Directory of Open Access Journals (Sweden)

    A.A. Kulkarni

    2017-02-01

    Full Text Available A series of various Schiff's and Mannich base derivatives (N1–2 & ND1–6 of Lamotrigine with isatin and substituted isatin were synthesized to get more potent anticonvulsant agents. The starting material for the synthesis of various new Schiff's and Mannich base derivatives was isatin (1H-indole- 2, 3-dione which in turn was prepared from substituted isonitrosoacetanilide using aniline. Lamotrigine reacts with isatin & substituted isatin gave Schiff's bases (N1–2 which on reaction with various secondary amines (dimethylamine, diethylamine, morpholine produced Mannich bases (ND1–6. The structures of newly synthesized compounds were characterized by using TLC, UV, FT-IR, 1HNMR and studied for their anticonvulsant activity. Anticonvulsant activity of all the derivatives was evaluated by MES method using phenobarbitone sodium & Lamotrigine as standard drugs and % reduction of time spent by animals in extension, flexion, clonus, and stupor phase were noted. Compounds ND-4 and ND-6 showed significant anticonvulsant activity when compared with that of standard drugs. The remaining all compounds show moderate activity. Biological activity data of the synthesized derivatives revealed that, the synthesized derivatives are good anticonvulsant agents as compared to Lamotrigine.

  18. Synthesis, characterization and biological activity of C6-Schiff bases derivatives of chitosan.

    Science.gov (United States)

    Xu, Ruibo; Aotegen, Bayaer; Zhong, Zhimei

    2017-12-01

    C 6 -Schiff bases derivatives of chitosan were synthesized for the first time. C 2 -amino groups and C 3 -hydroxy groups were firstly protected by CuSO 4 ·5H 2 O, and the C 6 -hydroxy was then transformed into aldehyde, which then reacted with anilines through nucleophilic addition to introduce the CN group at C 6 -position in chitosan chain. Finally, C 6 -Schiff bases derivatives of chitosan were got by the deprotection of C 2 -NH 2 with cation exchange resin. The structures and properties of the new synthesized products were characterized by Fourier transform infrared spectroscopy, 13 C NMR, SEM image, and elemental analysis. The antibacterial activities of derivatives were tested in the experiment, and the results showed that the prepared chitosan derivatives had significantly improved antibacterial activity toward Staphylococcus aureus and Escherichia coli. The Cytotoxicity test showed that the prepared chitosan derivatives had low Cytotoxicity, compared with chitosan and C 2 -benzaldehyde Schiff bases of chitosan. This paper allowed a new method for the synthesis of Schiff bases of chitosan, which was enlightening. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Engineering Graphene Films from Coal

    Science.gov (United States)

    Vijapur, Santosh H.

    temperature operation. Annealing of copper support was required to remove the oxide layer present on its surface and low pressure operation was demonstrated to be suitable for crystalline graphene film formation. The CVD system and the synthesis procedure were modified to address these issues. This was done by increasing the synthesis temperature, incorporating a vacuum pump for low pressure operation, and implementing two step procedure of annealing the copper substrate followed by subsequent coal pyrolysis for the synthesis of crystalline graphene films. The synthesized few layer graphene films were uniform and continuous with thickness in the range of 3-7 nm. The optical transmittance and electrical conductivity measurements demonstrated that the graphene films have >95 % transparency and sheet resistivity of 5.0 kO sq-1, respectively. An investigation of growth mechanism of coal derived graphene films synthesized via CVD was conducted utilizing spectroscopy, microscopy, and chromatography techniques. Gas collection was performed at the graphene synthesis conditions utilizing the CVD reactor without vacuum in operation. Various gases released as products of coal pyrolysis in the CVD reactor were collected and analyzed using gas chromatography. The analysis showed the presence of methane, ethane, ethene, propane, propene, carbon monoxide, and carbon dioxide as coal pyrolysis products. The hydrocarbon gases act as precursors for graphene growth. Raman spectroscopy, selected area electron diffraction (SAED), and X-ray photoelectron spectroscopy (XPS) confirmed the formation of crystalline graphene films at 1055 °C and 18-30 min synthesis. The growth mechanism involves copper catalyzed reaction to produce amorphous carbon film within the first few minutes of synthesis. Raman spectroscopy and SAED validated that lower synthesis times (6-12 min) produced hybrid amorphous carbon films. This is followed by hydrogen catalyzed graphitization of the underlying carbon film to form

  20. Synthesis of ellagic acid and its 4,4'-di-Ο-alky derivatives from gallic acid

    OpenAIRE

    Alam, Ashraful; 高口, 豊; 坪井, 貞夫

    2005-01-01

    Synthesis of ellagic acid and its 4,4'-di-Ο-alkyl derivatives from gallic acid is described. Ellagic acid is prepared by oxidative coupling of gallic acid with ο-chloranil. Functionalized methyl bormogallate underwent Ullmann coupling to give the biphenyl that upon lactonization resulted in the ellagic acid and its alkoxy derivatives.

  1. Synthesis of Renewable Lubricant Alkanes from Biomass-Derived Platform Chemicals.

    Science.gov (United States)

    Gu, Mengyuan; Xia, Qineng; Liu, Xiaohui; Guo, Yong; Wang, Yanqin

    2017-10-23

    The catalytic synthesis of liquid alkanes from renewable biomass has received tremendous attention in recent years. However, bio-based platform chemicals have not to date been exploited for the synthesis of highly branched lubricant alkanes, which are currently produced by hydrocracking and hydroisomerization of long-chain n-paraffins. A selective catalytic synthetic route has been developed for the production of highly branched C 23 alkanes as lubricant base oil components from biomass-derived furfural and acetone through a sequential four-step process, including aldol condensation of furfural with acetone to produce a C 13 double adduct, selective hydrogenation of the adduct to a C 13 ketone, followed by a second condensation of the C 13 ketone with furfural to generate a C 23 aldol adduct, and finally hydrodeoxygenation to give highly branched C 23 alkanes in 50.6 % overall yield from furfural. This work opens a general strategy for the synthesis of high-quality lubricant alkanes from renewable biomass. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Synthesis of acetylcholine from choline derived from phosphatidylcholine in a human neuronal cell line

    International Nuclear Information System (INIS)

    Blusztajn, J.K.; Liscovitch, M.; Richardson, U.I.

    1987-01-01

    Cholinergic neurons are unique among cells since they alone utilize choline not only as a component of major membrane phospholipids, such as phosphatidylcholine (Ptd-Cho), but also as a precursor of their neurotransmitter acetylcholine (AcCho). It has been hypothesized that choline-phospholipids might serve as a storage pool of choline for AcCho synthesis. The selective vulnerability of cholinergic neurons in certain neurodegenerative diseases (e.g., Alzheimer disease, motor neuron disorders) might result from the abnormally accelerated liberation of choline (to be used a precursor of AcCho) from membrane phospholipids, resulting in altered membrane composition and function and compromised neuronal viability. However, the proposed metabolic link between membrane turnover and AcCho synthesis has been difficult to demonstrate because of the heterogeneity of the preparations used. Here the authors used a population of purely cholinergic cells (human neuroblastomas, LA-N-2), incubated in the presence of [methyl- 3 H]methionine to selectively label PtdCho synthesized by methylation of phosphatidylethanolamine, the only pathway of de novo choline synthesis. Three peaks of radioactive material that cochromatographed with authentic AcCho, choline, and phosphocholine were observed when the water-soluble metabolites of the [ 3 H]PtdCho were purified by high-performance liquid chromatography. The results demonstrate that AcCho can be synthesized from choline derived from the degradation of endogenous PtdCho formed de novo by methylation of phosphatidylethanolamine

  3. SYNTHESIS OF AZO COMPOUNDS DERIVATIVE FROM EUGENOL AND ITS APPLICATION AS A TITRATION INDICATOR

    Directory of Open Access Journals (Sweden)

    Bambang Purwono

    2010-06-01

    Full Text Available The synthesis of azo compounds from eugenol has been carried out by diazotation reaction. The diazonium salt was produced by reaction of aniline and sodium nitrite in acid condition at 0-5 °C temperature to yield benzenediazonium chloride salt. The salt was then reacted with eugenol to produce the azo derivatives. The azo product was analyzed by IR, 1H-NMR, dan GC-MS spectrometer. The results showed that the reaction of benzenediazonium chloride with eugenol gave 4-allyl-2-methoxy-6-hydroxyazobenzene in 34.27% yield for 30 minutes reaction. The derivative of azo compound was dissolved in ethanol and then the color changing was observed in range of pH 9.8-11.1 from yellow to red. Application for titration indicator for acetic acid titrated with sodium hydroxide showed error less than 3.20% compared with phenol phtaline indicator.   Keywords: Eugenol, Azo compound, titration indicator

  4. The effect of purine phosphonomethoxyalkyl derivatives on DNA synthesis in Cho Chinese hamster cells

    Energy Technology Data Exchange (ETDEWEB)

    Stetina, R [Institute of Experimental Medicine, Laboratory of Developmental Toxicology, Academy of Sciences of Czech Republic, 51783 Olesnice v Orlickych horach (Czech Republic); Votruba, I; Holy, A; Merta, A [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of Czech Republic (Czech Republic)

    1994-12-31

    The inhibition of incorporation of {sup 3}H-thymidine and the changes of the rate of nascent DNA chain elongation were investigated in Cho Chinese hamster cells treated with (S)-(3-hydroxy-2-phosphonomethoxypropyl) (HPMP) and N-(2-phosphonomethoxyethyl) (PME) derivatives of adenine (A), guanine (G) and 2,6-diaminopurine (DAP). No direct correlation was observed in PME and HPMP derivatives between cytotoxicity, inhibition of {sup 3}H-thymidine incorporation and inhibition of nascent DNA chain elongation. The highest cytotoxicity and inhibition of DNA synthesis were caused by PMEG. The limited extent of inhibition of DNA elongation was encountered in the case of HPMPG and HPMPA. With PMEA, weak inhibition of elongation of DNA was observed only after a prolonged exposure (6 h). None of the investigated drugs induced DNA breaks. (author) 4 figs., 23 refs.

  5. Design, Synthesis and Evaluation of Ribose-modified Anilinopyrimidine Derivatives as EGFR Tyrosine Kinase Inhibitors

    Science.gov (United States)

    Hu, Xiuqin; Wang, Disha; Tong, Yi; Tong, Linjiang; Wang, Xia; Zhu, Lili; Xie, Hua; Li, Shiliang; Yang, You; Xu, Yufang

    2017-11-01

    The synthesis of a series of ribose-modified anilinopyrimidine derivatives was efficiently achieved by utilizing DBU or tBuOLi-promoted coupling of ribosyl alcohols with 2,4,5-trichloropyrimidine as key step. Preliminary biological evaluation of this type of compounds as new EGFR tyrosine kinase inhibitors for combating EGFR L858R/T790M mutant associated with drug resistance in the treatment of non-small cell lung cancer revealed that 3-N-acryloyl-5-O-anilinopyrimidine ribose derivative 1a possessed potent and specific inhibitory activity against EGFR L858R/T790M over WT EGFR. Based upon molecular docking studies of the binding mode between compound 1a and EGFR, the distance between the Michael receptor and the pyrimidine scaffold is considered as an important factor for the inhibitory potency and future design of selective EGFR tyrosine kinase inhibitors against EGFR L858R/T790M mutants.

  6. Synthesis and electrochemistry of tri- and tetranuclear polypyridine derivations of ruthenium

    International Nuclear Information System (INIS)

    Francis, A.M.A.

    1990-01-01

    The synthesis of clusters of ruthenium is the focus of this work. The electrochemistry of metal cluster derivatives of ruthenium, iron and osmium are reviewed. The ability of these compounds to undergo more than one electron transfer reaction and to act as electron reservoirs is evident. The synthesis and characterisation of a range of polypyridine derivatives of [Ru 3 (CO) 12 ]; [Ru 3 (CO) 10 (napy)]; [Ru 3 (CO) 10 (bipy)]; [Ru 4 H 4 (CO) 12 ]; [Ru 4 H 4 (CO) 8 (bipy) 2 ] and [Ru 4 H 4 (CO) 10 (bipy)] were dealt with. The crystal structures of [Ru 3 (CO) 10 (napy)] and [Ru 4 H 4 (CO) 10 (bipy)] were also determined. The six compounds were fully investigated and a mechanism for their electrochemical reduction was postulated based on their observed experimental data, and that of the relevant compounds. The techniques used are also described and a brief introduction to the actual theory and practise of these techniques is discussed. 132 refs., 33 figs., 22 tabs

  7. Synthesis of [13C6]-labelled phenethylamine derivatives for drug quantification in biological samples.

    Science.gov (United States)

    Karlsen, Morten; Liu, HuiLing; Berg, Thomas; Johansen, Jon Eigill; Hoff, Bård Helge

    2014-05-15

    The availability of high-quality (13)C-labelled internal standards will improve accurate quantification of narcotics and drugs in biological samples. Thus, the synthesis of 10 [(13)C6]-labelled phenethylamine derivatives, namely amphetamine, methamphetamine, 3,4-methylenedioxyamphetamine, 3,4-methylenedioxymethamphetamine, 3,4-methylenedioxy-N-ethylamphetamine, 4-methoxyamphetamine, 4-methoxymethamphetamine, 3,5-dimethoxyphenethylamine 4-bromo-2,5-dimethoxyphenethylamine and 2,5-dimethoxy-4-iodophenethylamine, have been undertaken. [(13)C6]-Phenol proved to be an excellent starting material for making (13)C-labelled narcotic substances in the phenethylamine class, and a developed Stille-type coupling enabled an efficient synthesis of the 3,4-methylenedioxy and 4-methoxy derivatives. The pros and cons of alternative routes and transformations are also discussed. The [(13)C6]-labelled compounds are intended for use as internal standards in forensic analysis, health sciences and metabolomics studies by gas chromatography-mass spectrometry and liquid chromatography-tandem mass spectrometry. Copyright © 2014 John Wiley & Sons, Ltd.

  8. Co-pyrolysis of coal with hydrogen-rich gases. 1. Coal pyrolysis under coke-oven gas and synthesis gas

    Energy Technology Data Exchange (ETDEWEB)

    Liao, H.; Li, B.; Zhang, B. [Chinese Academy of Sciences, Taiyuan (China). State Key Lab. of Coal Conversion

    1998-06-01

    To improve the economics of the hydropyrolysis process, it has been suggested that cheaper hydrogen-rich gases (such as coke oven gas, synthesis gas) could be used instead of pure hydrogen. Pyrolysis of Chinese Xianfeng lignite was carried out with coke oven gas (COG) and synthesis gas (SG) as reactive gases at 0.1-5 MPa and at a final temperature up to 650{degree}C with a heating rate of 5-25{degree}C min{sup -1} in a 10 g fixed-bed reactor. The results indicate that it is possible to use COG and SG instead of pure hydrogen in hydropyrolysis, but that the experimental conditions must be adjusted to optimize the yields of the valuable chemicals. 14 refs., 3 figs., 6 tabs.

  9. Coal use and coal technology study (KIS)

    International Nuclear Information System (INIS)

    Kram, T.; Okken, P.A.; Gerbers, D.; Lako, P.; Rouw, M.; Tiemersma, D.N.

    1991-11-01

    The title study aims to assess the possible role for coal in the Netherlands energy system in the first decades of the next century and the part new coal conversion technologies will play under various conditions. The conditions considered relate to (sectoral) energy demand derived from national scenarios in an international context, to energy prices, to environmental constraints (acidification, solid waste management and disposal) and to the future role for nuclear power production. Targets for reduction of greenhouse gas emissions are not explicitly included, but resulting CO 2 emissions are calculated for each variant case. The part that coal can play in the Dutch energy supply is calculated and analyzed by means

  10. Keratinocyte-derived laminin-332 protein promotes melanin synthesis via regulation of tyrosine uptake.

    Science.gov (United States)

    Chung, Heesung; Jung, Hyejung; Lee, Jung-Hyun; Oh, Hye Yun; Kim, Ok Bin; Han, Inn-Oc; Oh, Eok-Soo

    2014-08-01

    Melanocytes, which produce the pigment melanin, are known to be closely regulated by neighboring keratinocytes. However, how keratinocytes regulate melanin production is unclear. Here we report that melanin production in melanoma cells (B16F10 and MNT-1) was increased markedly on a keratinocyte-derived extracellular matrix compared with a melanoma cell-derived extracellular matrix. siRNA-mediated reduction of keratinocyte-derived laminin-332 expression decreased melanin synthesis in melanoma cells, and laminin-332, but not fibronectin, enhanced melanin content and α-melanocyte-stimulating hormone-regulated melanin production in melanoma cells. Similar effects were observed in human melanocytes. Interestingly, however, laminin-332 did not affect the expression or activity of tyrosinase. Instead, laminin-332 promoted the uptake of extracellular tyrosine and, subsequently, increased intracellular levels of tyrosine in both melanocytes and melanoma cells. Taken together, these data strongly suggest that keratinocyte-derived laminin-332 contributes to melanin production by regulating tyrosine uptake. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  11. Synthesis of some pyridine and pyrimidine derivatives via Michael-Addition

    International Nuclear Information System (INIS)

    El-Baih, Fatma E.M.; Al-Rasheed, Hessa H.; Al-Hazimi, Hassan M.

    2006-01-01

    Synthesis of pyridine and pyrimidine analogues 4 and 6-9 were achieved by Michael-addition of compounds containing either active methylene groups like, malononitrile , ethyl cyanoacetate and 1-tetralone or compounds containing active hydrogen atoms like, guanidine in the presence of an oxidizing agent and thiourea to 2-arylmethylidine-1-tetralone and 2-arylmethylidine-6-methoxy-1-tetralone (2) (enones). Addition of malononitrile in piperidine at room temperature to 2-amino-3-cyno-naphtho [1, 2-malonoitrile in sodium alkoxide or sodium hydroxide to 2 gave 4. Cyclization of 3a with acetic anhydride in the presence of conc. H2sO4 gave the naphtha-pyrano[2, 3-d]pyrimidin-8-one (5). Condensation of the pyrimidine thione derivatives 9 with chloroacetic acid gave the 3-oxobenzo[h]thiazoladino[2, 3-b]quinazoline derivatives (10), which were reacted through their active methylene groups with aromatic aldehydes to give the arylidine derivatives 11. These compounds were also prepared in one step by reacting 9 with chloroacetic acid and aromatic aldehydes. Condensation of 9 with 3-bromopropanoic acid gave 4-oxo-benzo[h]1, 3-thiazino[2, 3-b]quinazoline derivatives (12). The structures of the prepared compounds were mainly confirmed on the basis of spectroscopic methods. (author)

  12. Synthesis of densely functionalized enantiopure indolizidines by ring-closing metathesis (RCM of hydroxylamines from carbohydrate-derived nitrones

    Directory of Open Access Journals (Sweden)

    Goti Andrea

    2007-12-01

    Full Text Available Abstract Background Indolizidine alkaloids widely occur in nature and display interesting biological activity. This is the reason for which their total synthesis as well as the synthesis of non-natural analogues still attracts the attention of many research groups. To establish new straightforward accesses to these molecules is therefore highly desirable. Results The ring closing metathesis (RCM of enantiopure hydroxylamines bearing suitable unsaturated groups cleanly afforded piperidine derivatives in good yields. Further cyclization and deprotection of the hydroxy groups gave novel highly functionalized indolizidines. The synthesis of a pyrroloazepine analogue is also described. Conclusion We have developed a new straightforward methodology for the synthesis of densely functionalized indolizidines and pyrroloazepine analogues in 6 steps and 30–60% overall yields from enantiopure hydroxylamines obtained straightforwardly from carbohydrate-derived nitrones.

  13. C60-based ebselen derivative: synthesis by bingel cyclopropanation and enhanced antioxidative and neuroprotective activity

    International Nuclear Information System (INIS)

    Xufeng Liu; Wenchao Guan; Wengshan Ke

    2007-01-01

    C 60 -based ebselen derivative 3 was synthesized through Bingel cyclopropanation of C 60 with the ebselen malonate 2. Compound 3 was obtained in 42% yield (based on consumed C 60 ) in a three-step synthesis starting from 2-(chloroseleno)benzoyl chloride and 2-(2aminoethoxy)ethanol. Its structure was confirmed by 1H NMR, 13 C NMR, IR, UV and FAB-MS spectroscopy analyses. In order to verify the enhanced antioxidative and neuroprotective activity of 3, a C 60 derivative (4), an ebselen derivative (2), and their mixture (4 plus 2 in equimolar ratio) were employed to treat cortical neuronal cells, following the same procedure used with 3 and at the same final concentration (30 μmol L -1 ). Cell viabilities of the four treated groups were estimated by LDH (lactic dehydrogenase) leakage and MTT (3-(4, 5-dimethylthiazole-2yl)-2,5-diphenyl-tetrazolium bromide) assays. Results showed that the antioxidative and protective activities of C 60 -based ebselen derivative 3 against H 2 O 2 -mediated neuronal injury (MTT(OD) 0.364 ± 0.028; LDH release (UL -1 ) 4.66 ± 0.28) were significantly higher than those of C 6 )0 derivative 4 (MTT(OD) 0.324 ± 0.025; LDH release (UL -1 ) 5.39 ± 0.17), ebselen derivative 2 (MTT(OD) 0.294 ± 0.021; LDH release (UL -1 ) 5.71 ± 0.27), and the mixture of 4 and 2 (MTT(OD) 0.310 ± 0.018; LDH release (UL -1 ) 5.54 ±0.39). These findings demonstrated that the combination of two molecular units with similar biological activities (C 60 and ebselen) may be a desirable way of obtaining new and more biologically effective C 60 -based compounds. (author)

  14. SYNTHESIS AND PHYSICAL-CHEMICAL PROPERTIES OF WATER-SOLUBLE 3-BENZYLXANTHINE DERIVATIVES

    Directory of Open Access Journals (Sweden)

    K. V. Аleksandrova

    2015-04-01

    Full Text Available Introduction Nowadays, research of novel biological active compounds with low toxicity, are carried out among different classes of organic compounds of natural and synthetic genesis. One of the main ways of these studies is search of water-soluble compounds – convenient objects for pharmacological researches. In recent years researchers paid attention to xanthine derivatives, because of their high variativity of possible chemical modification and ability to form different salts with wide spectrum of biological action. Thus, among water-soluble xanthine derivatives were found compounds with pronounced antioxidant, diuretic and analeptic properties. Primary methods of obtaining water-soluble xanthine derivatives are direct interaction of bases with xanthine molecule or insertion basic or acidic residues in positions 7 or 8 of xanthine bicycle. According from the above, search of biologically active compounds among water-soluble substituted xanthines is prospective and actual. The aim of the study was development of synthetic ways of obtaining novel water-soluble derivatives of 3-benzyl-8-methylxanthine and studying their physical and chemical properties. Material and methods Melting points of obtained compounds were determined by capillary method on PTP (M device. ІR-spectra of synthesized compounds were recorded on the Bruker Alpha device (company «Bruker» – Germany on 4000-400 sm-1 with using console ATR (direct insertion of compound. 1Н NMR-spectra were recorded on the Varian Mercury VX-200 device (company «Varian» – USA solvent – (DMSO-d6, internal standart – ТМС. Elemental analysis was made on Elementar Vario L cube device. Chromatoraphic studies were made on the plates Sorbfil-AFV-UV (company «Sobrpolimer» –Russia. Systhems for chromatography: «acetone-propanol-2» in ratio 2:3, «propanol-2-benzene» in ratio 10:1 and exersized in UV-light in wave 200-300 nm. Results and discussion We developed methodic of synthesis

  15. Synthesis and enhanced neuroprotective activity of C60-based ebselen derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Liu, X.-F. [Huazhong Univ. of Science and Technology, Dept. of Chemistry, Wuhan (China); Hubei Univ., Ministry of Education Key Lab. for the Synthesis and Application of Organic Functional Molecules, Wuhan (China); Guan, W.-C. [Huazhong Univ. of Science and Technology, Dept. of Chemistry, Wuhan (China)], E-mail: wcguan04@yahoo.com.cn; Ke, W.-S. [Hubei Univ., College of Life Science, Wuhan (China)

    2007-03-15

    A C{sub 60}-based ebselen derivative 4 was synthesized through the cycloaddition of C{sub 60} with the azide (3) containing the ebselen component. It was obtained in a four-step synthesis starting from 2-(chloroseleno)benzoyl chloride and 2-(2-aminoethoxy)ethanol in 53% yield (based on consumed C{sub 60}). Its structure was characterized by {sup 1}H NMR, {sup 13}C NMR, IR, UV, and FAB-MS. To verify that the C{sub 60}-based ebselen derivative 4 had enhanced antioxidative and neuroprotective activity, the C{sub 60} derivative 5 and the ebselen derivative 6 were selected to treat cortical neuronal cells using the same procedures as with the C{sub 60}-based ebselen derivative 4. The cellular viability of different derivative treatment groups was estimated by LDH leakage assay and MTT assay. At the same final concentration (30 {mu}mol/L), the results showed that the antioxidative and protective potencies of the C{sub 60}-based ebselen derivative 4 (MTT (OD) 0.340 {+-} 0.035, LDH release (UL{sup -1}) 4.80 {+-} 0.16) against H{sub 2}O{sub 2}-mediated neuronal injury have an advantage over those of C{sub 60} derivative 5 (MTT (OD) 0.297 {+-} 0.036, LDH release (UL{sup -1}) 5.37 {+-} 0.31) and ebselen derivative 6 (MTT (OD) 0.267 {+-} 0.027, LDH release (UL{sup -1}) 5.85 {+-} 0.26). Correspondingly, the GPX activity of 4 (1.62 U/{mu}mol) was higher than that of 5 (0.77 U/{mu}mol) and 6 (1.24 U/{mu}mol). These findings demonstrate that the incorporation of two components with similar biological activity (C{sub 60} component and ebselen component) may be a desirable way of obtaining a new and more biologically effective C{sub 60}-based compound. (author)

  16. Synthesis of Netilmicin and Apramycin Derivatives for the Treatment of Multidrug-Resistant Infectious Diseases

    Science.gov (United States)

    Sonousi, Amr

    The ever-growing bacterial resistance to existing antibiotics is alarming to humanity. Many researchers decided to revisit aminoglycosides with renewed emphasis on chemical modification as they have long been used as highly potent antibiotics for treating severe bacterial infections. The bactericidal effect of aminoglycosides is mainly due to protein synthesis inhibition by binding to the A-site of the bacterial ribosomes. However, the high potency and the broad spectrum of aminoglycosides has been outweighed by their side effects, especially ototoxicity, and by the resistance of pathogens. The goal of this research was the modification of existing aminoglycosides to develop derivatives which are less toxic and that evade resistance. The chapters in the thesis discuss the chemical synthesis as well as the biological evaluation of the newly synthesized analogs. This study has focused on the modification of aminoglycosides netilmicin and apramycin. Chapter one introduces the MDR bacterial infection problem and its influence. Chapter one also introduces the aminoglycosides elaborating their history, classifications, and their mechanism of action. The resistance mechanisms against aminoglycosides and their adverse effects, as well as the ways to prevent them are briefly explained. Chapter two discusses modifications of netilmicin at the 4'-position conducted with a view to reducing the ototoxicity but not the antibiotic activity, as was previously done in the 4,5-series with paromomycin. The antibacterial activity and antiribosomal activity of the six netilmicin derivatives synthesized were determined. The 4'-position is more sensitive to modification in 4,6-series than in the 4,5-series to the extent that such modifications are ineffective. Chapter two also highlights the use of phenyl triazenes as selective protecting groups for secondary amines in the presence of primary amines. Several polyamine substrates were selectively protected as phenyl triazenes, and primary

  17. Synthesis of l-cysteine derivatives containing stable sulfur isotopes and application of this synthesis to reactive sulfur metabolome.

    Science.gov (United States)

    Ono, Katsuhiko; Jung, Minkyung; Zhang, Tianli; Tsutsuki, Hiroyasu; Sezaki, Hiroshi; Ihara, Hideshi; Wei, Fan-Yan; Tomizawa, Kazuhito; Akaike, Takaaki; Sawa, Tomohiro

    2017-05-01

    Cysteine persulfide is an L-cysteine derivative having one additional sulfur atom bound to a cysteinyl thiol group, and it serves as a reactive sulfur species that regulates redox homeostasis in cells. Here, we describe a rapid and efficient method of synthesis of L-cysteine derivatives containing isotopic sulfur atoms and application of this method to a reactive sulfur metabolome. We used bacterial cysteine syntheses to incorporate isotopic sulfur atoms into the sulfhydryl moiety of L-cysteine. We cloned three cysteine synthases-CysE, CysK, and CysM-from the Gram-negative bacterium Salmonella enterica serovar Typhimurium LT2, and we generated their recombinant enzymes. We synthesized 34 S-labeled L-cysteine from O-acetyl-L-serine and 34 S-labeled sodium sulfide as substrates for the CysK or CysM reactions. Isotopic labeling of L-cysteine at both sulfur ( 34 S) and nitrogen ( 15 N) atoms was also achieved by performing enzyme reactions with 15 N-labeled L-serine, acetyl-CoA, and 34 S-labeled sodium sulfide in the presence of CysE and CysK. The present enzyme systems can be applied to syntheses of a series of L-cysteine derivatives including L-cystine, L-cystine persulfide, S-sulfo-L-cysteine, L-cysteine sulfonate, and L-selenocystine. We also prepared 34 S-labeled N-acetyl-L-cysteine (NAC) by incubating 34 S-labeled L-cysteine with acetyl coenzyme A in test tubes. Tandem mass spectrometric identification of low-molecular-weight thiols after monobromobimane derivatization revealed the endogenous occurrence of NAC in the cultured mammalian cells such as HeLa cells and J774.1 cells. Furthermore, we successfully demonstrated, by using 34 S-labeled NAC, metabolic conversion of NAC to glutathione and its persulfide, via intermediate formation of L-cysteine, in the cells. The approach using isotopic sulfur labeling combined with mass spectrometry may thus contribute to greater understanding of reactive sulfur metabolome and redox biology. Copyright © 2017 Elsevier Inc

  18. 4'-Methyl derivatives of 5-MOP and 5-MOA: synthesis, photoreactivity, and photobiological activity.

    Science.gov (United States)

    Gia, O; Anselmo, A; Conconi, M T; Antonello, C; Uriarte, E; Caffieri, S

    1996-10-25

    The synthesis and photobiological activity of four new 4'-methyl derivatives of 5-MOP (5-methoxypsoralen) and 5-MOA (5-methoxyangelicin), i.e., 4,4'-dimethyl-5-methoxypsoralen, 3,4'-dimethyl-5-methoxypsoralen, 4,4'-dimethyl-5-methoxyangelicin, and 3,4'-dimethyl-5-methoxyangelicin, are described. All these compounds photobind efficiently to DNA. The DNA-photobinding process was investigated using various nucleic acid structures such as double-helix DNA, bacterial DNA, and synthetic polydeoxyribonucleotides. Photoreaction experiments showed that, unlike 8-MOP (8-methoxypsoralen) and 5-MOP, both angular derivatives bind thymine and cytosine with the same efficiency. The principal nucleoside-psoralen monoadducts were isolated and characterized after enzymatic digestion or acid hydrolysis. Biological activity studies revealed a good correlation with the extent of covalent photoaddition. Moreover, the two angular derivatives and the 4,4'-dimethyl-5-methoxypsoralen were unable to induce skin erythema, in striking contrast with the reference drugs, 8-MOP and 5-MOP; only the 3,4'-dimethyl-5-methoxypsoralen caused erythema, although to a substantially lower extent than that induced by the two parent compounds.

  19. Synthesis, Immunosuppressive Properties, and Mechanism of Action of a New Isoxazole Derivative

    Directory of Open Access Journals (Sweden)

    Marcin Mączyński

    2018-06-01

    Full Text Available This work describes the synthesis of a new series of isoxazole derivatives, their immunosuppressive properties, and the mechanism of action of a representative compound. A new series of N′-substituted derivatives of 5-amino-N,3-dimethyl-1,2-oxazole-4-carbohydrazide (MM1–MM10 was synthesized in reaction of 5-amino-N,3-dimethyl-1,2-oxazole-4-carbohydrazide with relevant carbonyl compounds. The isoxazole derivatives were tested in several in vitro models using human cells. The compounds inhibited phytohemagglutinin A (PHA-induced proliferation of peripheral blood mononuclear cells (PBMCs to various degrees. The toxicity of the compounds with regard to a reference A549 cell line was also differential. 5-amino-N′-(2,4-dihydroxyphenylmethylidene-N,3-dimethyl-1,2-oxazole-4-carbohydrazide (MM3 compound was selected for further investigation because of its lack of toxicity and because it had the strongest antiproliferative activity. The compound was shown to inhibit lipopolysaccharide (LPS-induced tumor necrosis factor (TNF α production in human whole blood cell cultures. In the model of Jurkat cells, MM3 elicited strong increases in the expression of caspases, Fas, and NF-κB1, indicating that a proapoptotic action may account for its immunosuppressive action in the studied models.

  20. Semi-synthesis and NMR spectral assignments of flavonoid and chalcone derivatives.

    Science.gov (United States)

    Kumar, Rohitesh; Lu, Yuting; Elliott, Alysha G; Kavanagh, Angela M; Cooper, Matthew A; Davis, Rohan A

    2016-11-01

    Previous investigations of the aerial parts of the Australian plant Eremophila microtheca and Syzygium tierneyanum resulted in the isolation of the antimicrobial flavonoid jaceosidin (4) and 2',6'-dihydroxy-4'-methoxy-3',5'-dimethyl chalcone (7), respectively. In this current study, compounds 4 and 7 were derivatized by acetylation, pivaloylation, and methylation reactions. The final products, 5,7,4'-triacetoxy jaceosidin (10), 5,7,4'-tripivaloyloxy jaceosidin (11), 5,7,4'-trimethoxy jaceosidin (12), 2',6'-diacetoxy-4'-methoxy-3',5'-dimethyl chalcone (13), 2'-hydroxy-4'-methoxy-6'-pivaloyloxy-3',5'-dimethyl chalcone (14), and 2'-hydroxy-4',6'-dimethoxy-3',5'-dimethyl chalcone (15) were all fully characterized by NMR and MS. Derivatives 10 and 13 have been previously reported but were only partially characterized. This is the first reported synthesis of 11 and 14. The natural products and their derivatives were evaluated for their antibacterial and antifungal properties, and the natural product, jaceosidin (4) and the acetylated derivative, 5,7,4'-triacetoxy jaceosidin (10), showed modest antibacterial activity (32-128 µg/ml) against Staphylococcus aureus strains. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  1. Bench-scale demonstration of biological production of ethanol from coal synthesis gas. Quarterly report, October 1, 1993--December 31, 1993

    Energy Technology Data Exchange (ETDEWEB)

    1993-12-31

    This project describes a new approach to coal liquefaction, the biological conversion of coal synthesis gas into a liquid fuel, ethanol. A new bacterium, Clostridium Ijungdahlii, strain PETC, has been discovered and developed for this conversion, which also produces acetate as a by-product. Based upon the results of an exhaustive literature search and experimental data collected in the ERI laboratories, secondary and/or branched alcohols have been selected for ethanol extraction from the fermentation broth. 2,6 Methyl 4-heptanol has a measured distribution coefficient of 0.44 and a separation factor of 47. Methods to improve the results from extraction by removing water prior to distillation are under consideration. Several runs were performed in the two-stage CSTR system with Clostridium Ijungdahlii, strain PETC, with and without cell recycle between stages. Reduced gas flow rate, trypticase limitation and ammonia limitation as methods of maximizing ethanol production were the focus of the studies. With ammonia limitation, the ethanol:acetate product ratio reached 4.0.

  2. Arsenic concentrations in Chinese coals

    International Nuclear Information System (INIS)

    Wang Mingshi; Zheng Baoshan; Wang Binbin; Li Shehong; Wu Daishe; Hu Jun

    2006-01-01

    The arsenic concentrations in 297 coal samples were collected from the main coal-mines of 26 provinces in China were determined by molybdenum blue coloration method. These samples were collected from coals that vary widely in coal rank and coal-forming periods from the five main coal-bearing regions in China. Arsenic content in Chinese coals range between 0.24 to 71 mg/kg. The mean of the concentration of Arsenic is 6.4 ± 0.5 mg/kg and the geometric mean is 4.0 ± 8.5 mg/kg. The level of arsenic in China is higher in northeastern and southern provinces, but lower in northwestern provinces. The relationship between arsenic content and coal-forming period, coal rank is studied. It was observed that the arsenic contents decreases with coal rank in the order: Tertiary > Early Jurassic > Late Triassic > Late Jurassic > Middle Jurassic > Late Permian > Early Carboniferous > Middle Carboniferous > Late Carboniferous > Early Permian; It was also noted that the arsenic contents decrease in the order: Subbituminous > Anthracite > Bituminous. However, compared with the geological characteristics of coal forming region, coal rank and coal-forming period have little effect on the concentration of arsenic in Chinese coal. The average arsenic concentration of Chinese coal is lower than that of the whole world. The health problems in China derived from in coal (arsenism) are due largely to poor local life-style practices in cooking and home heating with coal rather than to high arsenic contents in the coal

  3. Green synthesis of novel quinoline based imidazole derivatives and evaluation of their antimicrobial activity

    Directory of Open Access Journals (Sweden)

    N.C. Desai

    2014-12-01

    Full Text Available We have described the conventional and microwave method for the synthesis of N-(4-((2-chloroquinolin-3-ylmethylene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl(arylamides 3a–l. It is observed that the solvent-free microwave thermolysis is a convenient, rapid, high-yielding, and environmental friendly protocol for the synthesis of quinoline based imidazole derivatives when compared with conventional reaction in a solution phase. Antimicrobial activity of the newly synthesized compounds is screened in vitro on the following microbial cultures: Escherichia coli (MTCC 443, Pseudomonas aeruginosa (MTCC 1688, Staphylococcus aureus (MTCC 96, Streptococcus pyogenes (MTCC 442, Candida albicans (MTCC 227, Aspergillus niger (MTCC 282, Aspergillus clavatus (MTCC 1323. All the synthesized bio-active molecules are tested for their in vitro antimicrobial activity by bioassay namely serial broth dilution. Among these compounds 3c, 3d, 3f, 3h and 3j show significant potency against different microbial strains. All the compounds have been characterized by IR, 1H NMR, 13C NMR and mass spectral data. On the basis of statistical analysis, it is observed that these compounds give significant co-relation.

  4. Synthesis of carbon-11 labeled celecoxib derivatives as new candidate PET radioligands for imaging of inflammation

    International Nuclear Information System (INIS)

    Gao Mingzhang; Wang Min; Miller, Kathy D.; Hutchins, Gary D.; Zheng Qihuang

    2009-01-01

    Cyclooxygenase (prostaglandin endoperoxide synthase or COX) enzyme represents a particularly attractive target in inflammation processes for the development of both therapeutic agents and imaging agents. This study was designed to develop new radioligands for imaging of inflammation using the biomedical imaging technique positron emission tomography (PET). Carbon-11 labeled celecoxib derivatives, [ 11 C]methyl 2-(4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenylsulfonamidooxy) acetate ([ 11 C]6e), [ 11 C]methyl 2-methyl-2-(4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl) phenylsulfonamidooxy)propanoate ([ 11 C]6f), [ 11 C]methyl 2-(4-(5-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl) phenylsulfonamidooxy)acetate ([ 11 C]6g), and [ 11 C]methyl 2-methyl-2-(4-(5-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl) phenylsulfonamidooxy)propanoate ([ 11 C]6h), were prepared by O-[ 11 C]methylation of their corresponding precursors using [ 11 C]CH 3 OTf under basic condition and isolated by a simplified solid-phase extraction (SPE) method in 50-60% radiochemical yields based on [ 11 C]CO 2 and decay corrected to end of bombardment (EOB). The overall synthesis time from EOB was 15-20 min, the radiochemical purity was >99%, and the specific activity at end of synthesis (EOS) was 111-185 GBq/μmol.

  5. New Sorafenib Derivatives: Synthesis, Antiproliferative Activity Against Tumour Cell Lines and Antimetabolic Evaluation

    Directory of Open Access Journals (Sweden)

    Branka Zorc

    2012-01-01

    Full Text Available Sorafenib is a relatively new cytostatic drug approved for the treatment of renal cell and hepatocellular carcinoma. In this report we describe the synthesis of sorafenib derivatives 4a–e which differ from sorafenib in their amide part. A 4-step synthetic pathway includes preparation of 4-chloropyridine-2-carbonyl chloride hydrochloride (1, 4-chloro-pyridine-2-carboxamides 2a–e, 4-(4-aminophenoxy-pyridine-2-carboxamides 3a–e and the target compounds 4-[4-[[4-chloro-3-(trifluoromethylphenyl]carbamoylamino]-phenoxy]-pyridine-2-carboxamides 4a–e. All compounds were fully chemically characterized and evaluated for their cytostatic activity against a panel of carcinoma, lymphoma and leukemia tumour cell lines. In addition, their antimetabolic potential was investigated as well. The most prominent antiproliferative activity was obtained for compounds 4a–e (IC50 = 1-4.3 μmol·L−1. Their potency was comparable to the potency of sorafenib, or even better. The compounds inhibited DNA, RNA and protein synthesis to a similar extent and did not discriminate between tumour cell lines and primary fibroblasts in terms of their anti-proliferative activity.

  6. Microwave-assisted Synthesis of Benzimidazole Derivatives from Citronellal in Kaffir Lime (Citrus hystrix DC.) Oil

    Science.gov (United States)

    Sapri Ramadhan, Dwi; Warsito; Dhiaul Iftitah, Elvina

    2018-01-01

    Benzimidazoles are an important group of heterocyclic aromatic organic compound in the field of medicinal chemistry. It plays a very important role in pharmacological activity such as, analgesic, antiinflammatory, antibacterial, anti ungal, anti iral, antithelmenthic, anti convulsant, antihypertensive, and antiulcer. The synthesis of benzimidazole derivative under microwave irradiation of citronellal as raw material which is extracted from Citrus hystrix DC. (kaffir lime) leaves. The reaction using methanol and dichloromethane as solvent with variation of reaction time at 30, 40, 50, 60, and 70 minutes and mole ratio of citronellal to 1,2-phenylenediamine, 1:1, 1:1.5, and 1:2, respectively. Synthesis products was characterized by FT-IR and GC-MS. The optimum reaction time was obtained at 60 minutes in the present of dichloromethane and 1:2 mole ratio of citronellal to 1,2-phenylenediamine. The yield of the product is 42.19%. Structure of the synthesized compound were assigned on spectrum bands for C=N str at 1661 cm-1, C-N str at 1271 cm-1, C=C str of benzene ring at 1622 and 1456 cm-1 and C=C str of alkene at 1379 cm-1. GC-MS analysis showed single peak with retention time of 15.339 minute and m/z 242.

  7. Synthetic transformations of isoquinoline alkaloids. Synthesis of dihydrothebaine-hydroquinone derivatives

    International Nuclear Information System (INIS)

    Bauman, V.T.; Shul'ts, Eh. Eh.; Shakirov, M.M.; Tolstikov, G.A.

    2007-01-01

    Synthesis of new 6,14-endo-ethenodihydrothebaine-hydroquinone derivatives is carried through the introduction of iodine in molecule of the compound by means of iodine chloride or iodine in the presence of cerium-ammonium nitrate. 1-Iodine-5,14-endo-etheno-7,8-(1-acetoxy-4-hydroxybenzo)dihydrothebaine (yield 57%), 1-iodine-6,14-endo-etheno-7,8-(1,4-hydroquinono)dihydrothebaine (yield 13%) and 1-iodine-5'-chlorine-6,14-endo-etheno-7,8-(1,4-hydroquinono)dihydrothebaine (yield 11%) are separated as products of the reaction. Structure, molecular mass and element composition of iodination products were established on the basis of analysis of NMR spectra and mass spectroscopy, course of the reaction was controlled by TLC method [ru

  8. Hybrid Compounds Strategy in the Synthesis of Oleanolic Acid Skeleton-NSAID Derivatives

    Directory of Open Access Journals (Sweden)

    Anna Pawełczyk

    2016-04-01

    Full Text Available The current study focuses on the synthesis of several hybrid individuals combining a natural oleanolic acid skeleton and synthetic nonsteroidal anti-inflammatory drug moieties (NSAIDs. It studied structural modifications of the oleanolic acid structure by use of the direct reactivity of hydroxyl or hydroxyimino groups at position C-3 of the triterpenoid skeleton with the carboxylic function of anti-inflammatory drugs leading to new perspective compounds with high potential pharmacological activities. Novel ester- and iminoester-type derivatives of oleanolic unit with the different NSAIDs, such as ibuprofen, aspirin, naproxen, and ketoprofen, were obtained and characterized. Moreover, preliminary research of compounds obtaining structure stability under acidic conditions was examined and the PASS method of prediction of activity spectra for substances was used to estimate the potential biological activity of these compounds.

  9. Synthesis and in vivo antimalarial activity of novel naphthoquine derivatives with linear/cyclic structured pendants.

    Science.gov (United States)

    Tang, Ling; Bei, Zhuchun; Song, Yabin; Xu, Likun; Wang, Hong; Zhang, Dongna; Dou, Yuanyuan; Lv, Kai; Wang, Hongquan

    2017-07-01

    Naphthoquine (NQ) was discovered by our institute as an antimalarial candidate in 1980s, and currently employed as an artemisinin-based combination therapy partner drug. Resistance to NQ was found in mouse model in laboratory, and might emerge in future as widely used. We herein report the design and synthesis of NQ derivatives by replacing t-butyl moiety with linear/cyclic structured pendants. All the target compounds 6a-l and intermediates 5a-h were tested for their in vivo antimalarial activity against Plasmodium berghei K173 strain in mice. Compounds 6a and 6j were found to have a comparable or slightly more potent activity (the 50% effective dose [ED 50 ], which is required to decrease parasitemia by 50%: 0.38-0.43 mg/kg) than NQ (ED 50 : 0.48 mg/kg). The newly designed compounds 6a and 6j might be promising antimalarial candidates for further research.

  10. Studies on the Synthesis of Etodolac Derivatives as Potential Anti-inflammatory Agents

    Energy Technology Data Exchange (ETDEWEB)

    Cho, H.; Chung, Y.S. [Department of Chemistry, Chungbuk Natiojal University (Korea); Jang, H.D. [Department of Chemical Engineering, Seoul National Polytechnic University (Korea); Ryu, S.R. [Department of Chemical Engineering, Dae Bul University (Korea)

    1999-02-01

    For the synthesis of new anti-inflammatory agents as indol derivatives, we have synthesized a-benzoyl-1-ethyl-1,3,4,9-tetrahydro-8-ethyl-9-(N-benzoyl)pyrano[3,4-b]indole-= 1-acetic acid methyl ester. It was a new method for a-substituted etodolac carboxylic acid. The synthetic process was composed of four steps, and 7-ethylindole and oxalyl chloride were used as starting materials. The third step, cyclization was carried out by addition of borontrifluoride diethyl etherate in 66% yield. The step of reduction and cyclization were simplified successfully. The final product, a-benzoyl-1-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetate (etodollic acid methyl ester) and benzoyl chloride. 14 refs., 3 figs.

  11. Synthesis and Structural Characterization of 1- and 2-Substituted Indazoles: Ester and Carboxylic Acid Derivatives

    Directory of Open Access Journals (Sweden)

    Isabel Bento

    2006-11-01

    Full Text Available A series of indazoles substituted at the N-1 and N-2 positions with ester-containing side chains -(CH2nCO2R of different lengths (n = 0-6, 9, 10 are described.Nucleophilic substitution reactions on halo esters (X(CH2nCO2R by 1H-indazole inalkaline solution lead to mixtures of N-1 and N-2 isomers, in which the N-1 isomerpredominates. Basic hydrolysis of the ester derivatives allowed the synthesis of thecorresponding indazole carboxylic acids. All compounds were fully characterised bymultinuclear NMR and IR spectroscopies, MS spectrometry and elemental analysis; theNMR spectroscopic data were used for structural assignment of the N-1 and N-2 isomers.The molecular structure of indazol-2-yl-acetic acid (5b was determined by X-raydiffraction, which shows a supramolecular architecture involving O2-H...N1intermolecular hydrogen bonds.

  12. Silica-Supported Polyphosphoric Acid in the Synthesis of 4-Substituted Tetrahydroisoquinoline Derivatives

    Directory of Open Access Journals (Sweden)

    Iliyan Ivanov

    2013-02-01

    Full Text Available We report herein an application of an α-amidoalkylation reaction, as an alternative efficient synthesis of 4-aryl- and 4-methyl-1,2,3,4-tetrahydroisoquinoline derivatives. The amides required for this purpose would result from reaction of aminoacetaldehyde dimethylacetal with different substituted benzenes in polyphosphoric acid, followed by acylation of the obtained amines with different acid chlorides or sulfochlorides. We compared the cyclisation step using conventional (milieu of acetic-trifluoracetic acid = 4:1 and solid supported reagents (SiO2/PPA, as recovered, regenerated and reused without loss of its activity catalyst. We found that in comparison to conventional methods, the yields of the reaction are greater and the reaction time is shorter.

  13. Synthesis of the Galactosyl Derivative of Gluconic Acid With the Transglycosylation Activity of β-Galactosidase

    Directory of Open Access Journals (Sweden)

    Aleksandra Wojciechowska

    2017-01-01

    Full Text Available Bionic acids are bioactive compounds demonstrating numerous interesting properties. They are widely produced by chemical or enzymatic oxidation of disaccharides. This paper focuses on the galactosyl derivative of gluconic acid as a result of a new method of bionic acid synthesis which utilises the transglycosylation properties of β-galactosidase and introduces lactose as a substrate. Products obtained in such a process are characterised by different structures (and, potentially, properties than those resulting from traditional oxidation of disaccharides. The aim of this study is to determine the effect of selected parameters (concentration and ratio of substrates, dose of the enzyme, time, pH, presence of salts on the course of the reaction carried out with the enzymatic preparation Lactozym, containing β-galactosidase from Kluyveromyces lactis. Research has shown that increased dry matter content in the baseline solution (up to 50 %, by mass per volume and an addition of NaCl contribute to higher yield. On the other hand, reduced content of the derivative is a result of increased pH from 7.0 to 9.0 and an addition of magnesium and manganese salts. Moreover, exceeding the β-galactosidase dose over approx. 35 000 U per 100 g of lactose also leads to reduced yield of the process. The most favourable molar ratio of sodium gluconate to lactose is 2.225:0.675. Depending on the conditions of the synthesis, the product concentration ranged between 17.3 and 118.3 g/L of the reaction mixture, which corresponded to the mass fraction of 6.64–23.7 % of dry matter. The data obtained as a result of the present study may be useful for designing an industrial process.

  14. Synthesis, antifungal activity, and QSAR studies of 1,6-dihydropyrimidine derivatives

    Directory of Open Access Journals (Sweden)

    Chirag Rami

    2013-01-01

    Full Text Available Introduction: A practical synthesis of pyrimidinone would be very helpful for chemists because pyrimidinone is found in many bioactive natural products and exhibits a wide range of biological properties. The biological significance of pyrimidine derivatives has led us to the synthesis of substituted pyrimidine. Materials and Methods: With the aim of developing potential antimicrobials, new series of 5-cyano-6-oxo-1,6-dihydro-pyrimidine derivatives namely 2-(5-cyano-6-oxo-4-substituted (aryl-1,6-dihydropyrimidin-2-ylthio-N-substituted (phenyl acetamide (C1-C41 were synthesized and characterized by Fourier transform infrared spectroscopy (FTIR, mass analysis, and proton nuclear magnetic resonance ( 1 H NMR. All the compounds were screened for their antifungal activity against Candida albicans (MTCC, 227. Results and Discussion: Quantitative structure activity relationship (QSAR studies of a series of 1,6-dihydro-pyrimidine were carried out to study various structural requirements for fungal inhibition. Various lipophilic, electronic, geometric, and spatial descriptors were correlated with antifungal activity using genetic function approximation. Developed models were found predictive as indicated by their square of predictive regression values (r 2pred and their internal and external cross-validation. Study reveals that CHI_3_C, Molecular_SurfaceArea, and Jurs_DPSA_1 contributed significantly to the activity along with some electronic, geometric, and quantum mechanical descriptors. Conclusion: A careful analysis of the antifungal activity data of synthesized compounds revealed that electron withdrawing substitution on N-phenyl acetamide ring of 1,6-dihydropyrimidine moiety possess good activity.

  15. Synthesis of trideuterated O-alkyl platelet activating factor and lyso derivatives

    International Nuclear Information System (INIS)

    Prakash, C.; Saleh, S.; Taber, D.F.; Blair, I.A.

    1989-01-01

    Racemic heavy isotope analogs of 1-O-alkyl-sn-glycero-3-phosphocholine (lysoPAF) and 1-O-alkyl-2-O-acetyl-sn-glycero-3-phosphocholine (PAF) were prepared for use as internal standards to facilitate quantitative studies based on mass spectrometry. Starting from pentadecane-1,15-diol and rac-glycerol-1,2-acetonide, a convergent synthesis of 1-O-[16'-2H3]hexadecyl and 1-O-[18'-2H3]octadecyl rac-glycero-3-phosphocholine and their acetyl derivatives is described. Three deuterium atoms were introduced at the terminal position of the 1-O-alkyl group by displacement of the p-toluensulfonyl group from 1-O-alkyl-15'-p-toluensulfonate and 1-O-alkyl-17'-p-toluensulfonate with [2H3]-methylmagnesium iodide. The 1-O-alkyl-17'-p-toluensulfonate was obtained by reaction of the 1-O-alkyl-15'-p-toluensulfonate with allylmagnesium bromide, followed by reductive ozonolysis and treatment with p-toluene-sulfonyl chloride. The hydroxyl group at C-2 was protected by a benzyl group and removed at a late stage in the synthesis. This provided the corresponding lyso-derivatives or allowed preparation of racemic PAF by subsequent acetylation of the free hydroxy group. The phosphocholine moiety was introduced at glycerol C-3 by reaction with bromoethyldichlorophosphate and trimethylamine. The synthetic compounds were analyzed by FAB/MS and GC/NICIMS. They were shown to contain less than 0.6% protium impurity

  16. Synthesis, physical-chemical and biological properties of 7-benzyl-3-methyl-8-thioxanthine derivatives

    Directory of Open Access Journals (Sweden)

    D. H. Ivanchenko

    2017-12-01

    Full Text Available Introduction . Interest to the problem of creating new effective antimicrobial agents among xanthine derivatives does not decrease. Primarily, this is due to the increasing of microbial resistance to conventional antimicrobial agents and the emergence of their new strains. In recent years interest to the therapeutic use of antioxidants in the treatment of diseases associated with oxidative stress has increased. The aim of this work is to elaborate simple laboratory methods of 7-benzyl-3-methyl-8-thioxanthine derivatives synthesis, unspecified in scientific papers earlier, and to study their physical, chemical and biological properties. Materials and methods. The melting point has been determined with the help of an open capillary method with PTP-M device. Elemental analysis has been performed with the help of the instrument Elementar Vario L cube, NMR-spectra have been taken on a spectrometer Bruker SF-400 (operating frequency of 400 MHz, solvent DMSO, internal standard – TMS. Study of antimicrobial and antifungal activity of synthesized compounds has been performed by two-fold serial dilution method. Standard test strains have been used for the study: Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 25923, Pseudomonas aeruginosa ATCC 27853, Candida albicans ATCC 885-653. Dimethylsulfoxide was used as the solvent of the compounds. Results. Under short-time heating up of the initial 7-benzyl-3-methyl-8-thioxanthine with alkyl, alkenyl, benzyl halides or heteroalkylchlorides in a water-propanol-2 mixture in the presence of an equimolar amount of sodium hydroxide leads to the formation of 8-S-substituted of 7-benzyl-3-methylxanthines. Structure of synthesized compounds was definitely proved by NMR-spectroscopy. We conducted primary screening research of antimicrobial activity of 7-benzyl-3-methyl-8-thioxanthine derivatives, which revealed moderate and weak activity in concentrations 50-100 mcg/ml. Most of the obtained compounds showed a

  17. Synthesis of New Imidazolidin-2,4-dione and 2-Thioxoimidazolidin-4-ones via C-Phenylglycine Derivatives

    Directory of Open Access Journals (Sweden)

    José Alixandre de Sousa Luis

    2009-12-01

    Full Text Available Hydantoins and their derivatives constitute a group of pharmaceutical compounds with anticonvulsant and antiarrhythmic properties, and are also used against diabetes. N-3 and C-5 substituted imidazolidines are examples of such products. As such, we have developed a synthesis of 2,4-dione and 2-thioxo-4-one imidazolidinic derivatives by reaction of amino acids with C-phenylglycine, phenyl isocyanate and phenyl isothiocyanate. Four amino-derivatives IG(1-4 and eight imidazolidinic derivatives, IM(1-8, were obtained in yields of 70–74%. The mass, infrared, 1H and 13C-NMR spectra of representative products are discussed.

  18. Oxidative regeneration of Ni-Mo-gamma-Al/sub 2/O/sub 3/ catalysts used for hydrotreatment of coal-derived oil

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimura, Yuji; Furimsky, Edward; Sato, Toshio; Shimada, Hiromichi; Matsubayashi, Nobuyuki; Nishijima, Akio

    1986-10-23

    In order to easily find the oxidative reaction characteristics of carbonaceous materials and sulfur deposited on the catalysts used for hydrogenation, oxidative regeneration behavior as studied with a fixed bed reactor, and the surfaces of the spent catalysts were analyzed by XPS to find the changes in form of active metals and sulfur on the catalysts. Ni-Mo-gamma-Al/sub 2/O/sub 3/ catalysts were used for hydrotreatment of primary coal-derived oil from Morwell coal. The spent catalysts were extracted by THF, dried and crushed into 100-200 mesh powder. The relation between catalyst regeneration temperature and CO/sub 2/ or SO/sub 2/, the relation between generated gas compositions and temperature in regeneration, and the activation energy of carbon and sulfur in the catalysts for oxidative reaction were indicated with data. As a result, it was found that a part of the active metals turned to sulfates by hydrotreatment and the residual sulfur existed in form of sulfate. ( 6 figs, 2 tabs, 4 refs )

  19. Co-firing a pressurized fluidized-bed combustion system with coal and refuse derived fuels and/or sludges. Task 16

    Energy Technology Data Exchange (ETDEWEB)

    DeLallo, M.; Zaharchuk, R.

    1994-01-01

    The co-firing of waste materials with coal in utility scale power plants has emerged as an effective approach to produce energy and manage municipal waste. Leading this approach, the atmospheric fluidized-bed combustor (AFBC) has demonstrated its commercial acceptance in the utility market as a reliable source of power burning a variety of waste and alternative fuels. The fluidized bed, with its stability of combustion, reduces the amount of thermochemical transients and provides for easier process control. The application of pressurized fluidized-bed combustor (PFBC) technology, although relatively new, can provide significant enhancements to the efficient production of electricity while maintaining the waste management benefits of AFBC. A study was undertaken to investigate the technical and economic feasibility of co-firing a PFBC with coal and municipal and industrial wastes. Focus was placed on the production of electricity and the efficient disposal of wastes for application in central power station and distributed locations. Wastes considered for co-firing include municipal solid waste (MSW), tire-derived fuel (TDF), sewage sludge, and industrial de-inking sludge. Issues concerning waste material preparation and feed, PFBC operation, plant emissions, and regulations are addressed. This paper describes the results of this investigation, presents conclusions on the key issues, and provides recommendations for further evaluation.

  20. Synthesis and solar-cell applications of novel furanyl-substituted anthracene derivatives

    Science.gov (United States)

    Kivrak, Arif; Er, Ömer Faruk; Kivrak, Hilal; Topal, Yasemin; Kuş, Mahmut; Çamlısoy, Yesim

    2017-11-01

    At present, novel furanyl-substituted anthracene derivatives; namely 9,10-di(furan-2-yl)anthracene (DFA), 5,5‧-(anthracene-9,10-diyl)bis(furan-2-carbaldehyde) (DAFA) and 2,2‧-((5,5‧-(anthracene-9,10-diyl)bis(furan-5,2-diyl))bis(methanylylidene))dimalononitrile (DCNFA) were designed and synthesized successfully by employing Stille Cross-Coupling, Vilsmeier-Haack and Knoevenagel condensation reactions, respectively. This methodology provides a practical new route for the synthesis of furanyl-substituted anthracene derivatives bearing strong electron-withdrawing groups. The electrochemical and electro-optical properties of these novel furanyl-substituted anthracene derivatives were also examined with strong acceptor-π-donor-π-acceptor interactions. Furthermore, Highest occupied molecular orbital (HOMO), Lowest Unoccupied molecular orbital (LUMO), and band gap (Eg) values were investigated by using spectroscopic methods. Electrochemical and electro-optical properties were calculated and compared to DFA, DAFA and DCNFA. Eg was found as 2.85, 2.71, and 2.33 eV, respectively. Consequently, Organic Solar Cells (OSC) were fabricated to investigate their solar cell performances. The strong electron withdrawing groups did not increase the solar cell performance of furanyl-anthracenes. Surprisingly, DFA was found to exhibit the best OSCs performance (Efficiency = 3.36). As a result, one could note that these novel furanyl-substituted anthracene derivatives are good candidate for the applications of the OSCs. Our results might help in the development of new materials with important electrochemical functions by giving the advantage of designing and further derivatization of new generation small organic molecules for photovoltaic device applications.

  1. SYNTHESIS AND CYTOTOXIC ACTIVITY OF CHALCONE DERIVATIVES ON HUMAN BREAST CANCER CELL LINES

    Directory of Open Access Journals (Sweden)

    Nuraini Harmastuti

    2012-12-01

    Full Text Available Chalcone, an α,β-unsaturated ketone, has been shown have many biological activities such as anticancer and antifungi. This research was conducted to synthesize the chalcone derivatives and to obtain their cytotoxic activity on human cervix cancer cell lines. Synthesis of chalcone and its derivatives, 4II-methylchalcone, 4II-methoxychalcone, and 3II,4II-dichlorochalcone was carried out using starting materials of benzaldehide and acetofenon, p-methylacetophenone, p-methoxyacetophenone, as well as m,p-dichloroacetophenone through Claisen Schmidt condensation catalized by NaOH in ethanol at 15 °C. The purity of synthesized compounds were analyzed by thin layer chromatography, melting range, and gas chromatography. Structure elucidations were conducted by UV spectrophotometer, IR spectrometer, 1H-NMR spectrometer, as well as mass spectrometer. Cytotoxic activities were determined by 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide (MTT microculture tetrazolium viability assay. The results showed that chalcone and derivatives compounds have been able to be synthesized and purified and had the same structure as a predicted structure. Chalcone had highest cytotoxic activity compared to that of its derivatives, with the IC50 values of chalcone, 4II-methylchalcone, 4II-methoxychalcone, and 3II,4II-dichlorochalcone were 9.49, 14.79, 11.48, and 24.26 µg/mL respectively. It was concluded that methyl, methoxy as well as chlorine substitution at 3 II and 4II position decrease the cytotoxic activity of chalcone.

  2. Olefin cross metathesis based de novo synthesis of a partially protected L-amicetose and a fully protected L-cinerulose derivative

    Directory of Open Access Journals (Sweden)

    Bernd Schmidt

    2014-05-01

    Full Text Available Cross metathesis of a lactate derived allylic alcohol and acrolein is the entry point to a de novo synthesis of 4-benzoate protected L-amicetose and a cinerulose derivative protected at C5 and C1.

  3. Efficient sonochemical synthesis of alkyl 4-aryl-6-chloro-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate derivatives.

    Science.gov (United States)

    Ruiz, Enrique; Rodríguez, Hortensia; Coro, Julieta; Niebla, Vladimir; Rodríguez, Alfredo; Martínez-Alvarez, Roberto; de Armas, Hector Novoa; Suárez, Margarita; Martín, Nazario

    2012-03-01

    A facile, efficient and environment-friendly protocol for the synthesis of 6-chloro-5-formyl-1,4-dihydropyridine derivatives has been developed by the convenient ultrasound-mediated reaction of 2(1H)pyridone derivatives with the Vilsmeier-Haack reagent. This method provides several advantages over current reaction methodologies including a simpler work-up procedure, shorter reaction times and higher yields. Copyright © 2011. Published by Elsevier B.V.

  4. Current status of U.S. coal utilization and non-fuel uses of fossil fuels

    International Nuclear Information System (INIS)

    Song, C.S.; Schobert, H.; Scaroni, A.W.

    1997-01-01

    An understanding of the current situation is important for projecting the future direction of coal utilization. The world's annual consumption of coal in 1995 was 5104.01 million short tons (MST, 1 short ton = 0.907 metric ton). Coal plays a very important role in the US energy supply; US coal production in 1995 totaled 1033 MST, including 611.1 MST of bituminous coal, 328.4 MST of subbituminous coal, 86.1 MST of lignite, and 4.1 MST of anthracite. US coal consumption totaled 940.6 MST, with 88.1% in electric utilities, 3.5% in coke plants, 7.8% for other industrial uses, and only 0.6% in the residential and commercial sectors. The amount of fossil resources used for non-fuel purposes accounted for 8.4% of the total annual consumption in 1995. Non-fuel uses of fossil fuels particularly coal may become more important in the future. The demonstrated coal reserves in the world are large enough for consumption for over 220 years at the 1995 level, while proven oil reserves are only about 40 times the world's 1995 consumption level. Coal has several positive attributes when considered as a feedstock for aromatic chemicals, specialty chemicals, and carbon-based materials. Existing nonfuel uses of coals include (1) high temperature carbonization of bituminous and subbituminous coals to make metallurgical coke; (2) gasification of coal to make synthesis gases and other chemicals; (3) use of coal in manufacturing other materials such as activated carbons, carbon molecular sieves (CMS) and production of phosphorus (phosphoric acid); (4) the use of coal tars from carbonization and gasification for making aromatic and phenolic chemicals; (5) the use of coal tar pitch for making carbon fibers and activated carbon fibers; and (6) other non-fuel products derived from coal including combustion by-products. Coal may become more important both as an energy source and as the source of chemical feedstocks in the 21st century

  5. Health and environmental effects of refuse derived fuel (RDF) production and RDF/coal co-firing technologies

    Energy Technology Data Exchange (ETDEWEB)

    O' Toole, J.J.; Wessels, T.E.; Lynch, J.F.; Fassel, V.A.; Lembke, L.L.; Kniseley, R.N.; Norton, G.A.; Junk, G.A.; Richard, J.J.; Dekalb, E.L.; Dobosy, R.J.

    1981-10-01

    Six facilities, representing the scope of different co-firing techniques with their associated RDF production systems were reviewed in detail for combustion equipment, firing modes, emission control systems, residue handling/disposal, and effluent wastewater treatment. These facilities encompass all currently operational or soon to be operational co-firing plants and associated RDF production systems. Occupational health and safety risks for these plants were evaluated on the basis of fatal and nonfatal accidents and disease arising from the respective fuel cycles, coal and RDF. Occupational risks include exposure to pathogenic organisms in the workplace. Unusual events that are life threatening in the RDF processing industry (e.g., explosions) are also discussed and remedial and safety measures reviewed. 80 refs., 4 figs., 30 tabs.

  6. Effects of coal-derived trace species on the performance of molten carbonate fuel cells. Topical report on thermochemical studies

    Energy Technology Data Exchange (ETDEWEB)

    Pigeaud, A.

    1991-10-01

    The overall objective of the present study was to determine in detail the interaction effects of 10 simultaneously present, coal-gas contaminants, both on each other and on components of the Carbonate Fuel Cell. The primary goal was to assess underlying chemistries and reaction mechanisms which may cause decay in fuel cell performance or endurance as a result of both physics-chemical and/or mechanical interactions with the cell components and internal fuel cell parts. It was found, both from theory and cell test evidence, that trace contaminant interactions may occur with: Fuel-cell Electrodes (e.g., in this study with the Ni-anode), Lithium/Potassium Carbonate Electrolyte, Nickel and SS-Hardware, and by Mechanical Obstruction of Gas Flow in the Anode Plenum.

  7. Simulation of ground-water flow in the St. Peter aquifer in an area contaminated by coal-tar derivatives, St. Louis Park, Minnesota. Water Resources Investigation

    International Nuclear Information System (INIS)

    Lorenz, D.L.; Stark, J.R.

    1990-01-01

    A model constructed to simulate ground-water flow in part of the Prairie du Chien-Jordan and St. Peter aquifers, St. Louis Park, Minnesota, was used to test hypotheses about the movement of ground water contaminated with coal-tar derivatives and to simulate alternatives for reducing the downgradient movement of contamination in the St. Peter aquifer. The model, constructed for a previous study, was applied to simulate the effects of current ground-water withdrawals on the potentiometric surface of the St. Peter aquifer. Model simulations predict that the multiaquifer wells have the potential to limit downgradient migration of contaminants in the St. Peter aquifer caused by cones of depression created around the multiaquifer wells. Differences in vertical leakage to the St. Peter aquifer may exist in areas of bedrock valleys. Model simulations indicate that these differences are not likely to affect significantly the general patterns of ground-water flow

  8. Sonocrystallization—Case Studies of Salicylamide Particle Size Reduction and Isoniazid Derivative Synthesis and Crystallization

    Directory of Open Access Journals (Sweden)

    Zhen-Yu Yang

    2018-06-01

    Full Text Available Two case studies of salicylamide particle size reduction and isoniazid derivative synthesis and crystallization realized using sonocrystallization were investigated. The size, habit, structure, thermal behavior, and spectrometric properties of sonocrystallized crystals were analyzed through scanning electron microscopy (SEM, powder X-ray diffractometry (PXRD, differential scanning calorimetry (DSC, and Fourier transform infrared (FTIR spectroscopy. The effects of the operating parameters, such as sonication intensity, sonication duration, and solution concentration, on sonocrystallization were compared. The crystal size of salicylamide was reduced from 595 μm (the original size and was efficiently manipulated to be between 40 and 80 μm. Moreover, compared with the crystal habits of unprocessed crystals and recrystallized crystals fabricated through conventional methods, the crystal habit of salicylamide could be modified to present a regular shape. The structure, thermal behavior, and spectrometric properties of sonocrystallized salicylamide were found to be in agreement with those of an unprocessed sample. For producing isoniazid derivative crystals, N′-(propan-2-ylidene-isonicotinohydrazide was synthesized using isoniazid in acetone at 318 K. The resulting solution was then cooled by applying power ultrasound to isolate N′-(propan-2-ylidene-isonicotinohydrazide crystals. The solid-state properties of the synthesized N′-(propan-2-ylidene-isonicotinohydrazide was verified through PXRD, DSC, and FTIR spectroscopy. The feasibility of particle size manipulation was then demonstrated through sonocrystallization.

  9. Synthesis, characterization and serum albumin binding studies of vitamin K3 derivatives.

    Science.gov (United States)

    Suganthi, Murugesan; Elango, Kuppanagounder P

    2017-01-01

    Synthesis, characterization and bovine serum albumin (BSA) binding properties of three derivatives of vitamin K3 have been described. Results of UV-Vis and fluorescence spectra indicate complexation between BSA and the ligands with conformational changes in protein, which is strongly supported by synchronous and three dimensional fluorescence studies. Addition of the ligands quenches the fluorescence of BSA which is accompanied by reduction in quantum yield (Ф) from 0.1010 to 0.0775-0.0986 range. Thermodynamic investigations reveal that hydrophobic interaction is the major binding force in the spontaneous binding of these ligands with BSA. The binding constants obtained depend on the substituent present in the quinone ring, which correlates linearly with the Taft's field substituent constant (σ F ). The results show that compound with strong electron withdrawing nitro-group forms relatively stronger complex with BSA than amino and thioglycolate substituted ones. Circular dichroism studies show that the α-helical content of the protein, upon complexation with the ligands, decreases in the case of amino and nitro substituted vitamin K3 while increases in thioglycolate substituted compound. Molecular docking studies indicated that the vitamin K3 derivatives are surrounded by hydrophobic residues of the BSA molecule, which is in good agreement with the results of fluorescence spectral and thermodynamic studies. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Synthesis and Application of Phenyl Nitrone Derivatives as Acidic and Microbial Corrosion Inhibitors

    Directory of Open Access Journals (Sweden)

    Shijun Chen

    2015-01-01

    Full Text Available Nitrone has drawn great attention due to its wide applications as a 1,3-dipole in heterocyclic compounds synthesis and the bioactivities. With the special structure, nitrone can also be used as ligand in inorganic chemistry. Based on the current research, the nitrones are anticipated to be effective inhibitors against acidic and microbial corrosion. The aim of this work is to investigate the inhibitory action of nitrones. In this work, a series of phenyl nitrone derivatives (PN was synthesized and used as acidic and microbial corrosion inhibitors. The results indicate that several compounds show moderate to high inhibition efficiency (IE in 3% HCl. Accompanied with HMTA or BOZ, the IEs greatly increase, and the highest efficiency of 98.5% was obtained by using PN4 + BOZ. Investigation of the antibacterial activity against oilfield microorganism shows that the nitrone derivatives can inhibit SRB, IB, and TGB with moderate to high efficiency under 1,000 mg/L, which makes them potential to be used as bifunctional oilfield chemicals.

  11. Synthesis and Electrochemical Study of a TCAA Derivative – A potential bipolar redox-active material

    International Nuclear Information System (INIS)

    Hagemann, Tino; Winsberg, Jan; Wild, Andreas; Schubert, Ulrich S.

    2017-01-01

    The 2,3,7,8-tetracyano-1,4,5,6,9,10-hexazaanthracene (TCAA) derivatives represent an interesting substance class for future research on organic electronic devices, such as solar cells, organic batteries or redox-flow batteries (RFBs). Because of their multivalent redox behavior they are potentially “bipolar”, usable both as cathode and anode activ charge-storage materials. Furthermore, they show a strong absorption and fluorescence behavior both in solution and solid state, rendering them a promising emitter for electroluminescence devices, like lamps or displays. In order to evaluate a TCAA for electrochemical applications the derivative 2,3,7,8-tetracyano-5,10-diphenyl-5,10-dihydrodipyrazino[2,3-b:2′,3′-e] pyrazine (2) was synthesized in two straightforward synthesis steps. The electrochemical behavior of 2 was initially determined by density functional theory (DFT) calculation and afterwards investigated via rotating disc electrode (RDE), UV–vis–NIR spectroelectrochemical as well as cyclic voltammetry (CV) measurements. It features a quasi-reversible oxidation and re-reduction at E ½ = 1.42 V vs. Fc + /Fc with a peak split of 96 mV and a quasi-reversible reduction and re-oxidation at E ½ = −1.49 V vs. Fc + /Fc with a peak split of 174 mV, which lead to a theoretical potential difference of 2.91 V.

  12. Synthesis, cytotoxicity and molecular modelling studies of new phenylcinnamide derivatives as potent inhibitors of cholinesterases.

    Science.gov (United States)

    Saeed, Aamer; Mahesar, Parvez Ali; Zaib, Sumera; Khan, Muhammad Siraj; Matin, Abdul; Shahid, Mohammad; Iqbal, Jamshed

    2014-05-06

    The present study reports the synthesis of cinnamide derivatives and their biological activity as inhibitors of both cholinesterases and anticancer agents. Controlled inhibition of brain acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) may slow neurodegeneration in Alzheimer's diseases (AD). The anticholinesterase activity of phenylcinnamide derivatives was determined against Electric Eel acetylcholinesterase (EeAChE) and horse serum butyrylcholinesterase (hBChE) and some of the compounds appeared as moderately potent inhibitors of EeAChE and hBChE. The compound 3-(2-(Benzyloxy)phenyl)-N-(3,4,5-trimethoxyphenyl)acrylamide (3i) showed maximum activity against EeAChE with an IC50 0.29 ± 0.21 μM whereas 3-(2-chloro-6-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)acrylamide (3k) was proved to be the most potent inhibitor of hBChE having IC50 1.18 ± 1.31 μM. To better understand the enzyme-inhibitor interaction of the most active compounds toward cholinesterases, molecular modelling studies were carried out on high-resolution crystallographic structures. The anticancer effects of synthesized compounds were also evaluated against cancer cell line (lung carcinoma). The compounds may be useful leads for the design of a new class of anticancer drugs for the treatment of cancer and cholinesterase inhibitors for Alzheimer's disease (AD). Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  13. Synthesis and Antimicrobial Activities of Some New 1,2,4-Triazole Derivatives

    Directory of Open Access Journals (Sweden)

    Hakan Bektaş

    2010-04-01

    Full Text Available Some novel 4,5-disubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one (3, 6, 8, 9 derivatives and or 3-(4-methylphenyl[1,2,4]triazolo[3,4-b][1,3]benzoxazole (5 were synthesized from the reaction of various ester ethoxycarbonylhydrazones (1a-e with several primary amines. The synthesis of 4-amino-5-(4-chlorophenyl-2-[(5-mercapto-1,3,4-oxadiazol-2-ylmethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (13 was performed starting from 4-Amino-5-(4-chlorophenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (2 by four steps; then 13 was converted to the corresponding Schiff base (14 by using 4-methoxybenzaldehyde. Finally, two Mannich base derivatives of 14 were obtained by using morpholine or methyl piperazine as amine component. All newly synthesized compounds were screened for their antimicrobial activities and some of which were found to possess good or moderate activities against the test microorganisms.

  14. Synthesis and biological evaluation of novel 5-hydroxylaminoisoxazole derivatives as lipoxygenase inhibitors and metabolism enhancing agents.

    Science.gov (United States)

    Averina, Elena B; Vasilenko, Dmitry A; Gracheva, Yulia A; Grishin, Yuri K; Radchenko, Eugene V; Burmistrov, Vladimir V; Butov, Gennady M; Neganova, Margarita E; Serkova, Tatyana P; Redkozubova, Olga M; Shevtsova, Elena F; Milaeva, Elena R; Kuznetsova, Tamara S; Zefirov, Nikolay S

    2016-02-15

    A versatile synthesis of novel 5-hydroxylaminoisoxazoles bearing adamantane moieties has been accomplished using the heterocyclization reactions of readily available unsaturated esters by the treatment with tetranitromethane in the presence of triethylamine and subsequent reduction of resulting 5-nitroisoxazoles by SnCl2 with the participation of THF. A number of obtained isoxazole derivatives were evaluated for their antioxidative activity, inhibition of lipoxygenases and impact on the rat liver mitochondria. The majority of tested compounds demonstrated moderate antiradical activity in DPPH test (up to EC50 16μM). The same compounds strongly inhibited soybean lipoxygenase (up to IC50 0.4μM) and Fe(2+)- and Fe(3+)-induced lipid peroxidation (LP) of rat brain cortex homogenate (up to IC50 0.3μM). All tested isoxazole derivatives promoted the phosphorylating respiratory activity simultaneously with maximal stimulated respiratory activity of mitochondria and do not reveal any toxicity towards the primary culture of rat cortex neurons. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. 5-Alkylresorcinol Derivatives from the Bryozoan Schizomavella mamillata: Isolation, Synthesis, and Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    María J. Ortega

    2017-11-01

    Full Text Available The chemical study of the bryozoan Schizomavella mamillata has led to the isolation of six new 5-alkylresorcinol derivatives, schizols A–F (1–6, whose structures were established by spectrocospic means. Schizol A (1 exhibits a (E-6-phenylnon-5-enyl moiety linked to the C-5 of a resorcinol ring, while in schizol B (2 the substituent at C-5 contains an unusual 1,2-dihydrocyclobutabenzene moiety. Schizols C (3 and D (4 have been characterized as the 1-sulfate derivatives of 1 and 2, respectively, and schizols E (5 and F (6 are the corresponding 1,3-disulfates. Schizol A (1 has been synthetized from 3,5-dimethoxybenzaldehyde through a sequence involving a Wittig reaction for the construction of the C-1′,C-2′ bond and a Julia–Kocienski olefination for the synthesis of the C-5′,C-6′ double bond. In the ABTS (2,2′-azinobis(3-ethylbenzothiazoline-6-sulphonic acid antioxidant assay, the natural compounds schizol A (1 and schizol B (2 showed higher radical scavenging activity than the Trolox standard.

  16. Simulation of Synthesis Gas Production from Steam Oxygen Gasification of Colombian Coal Using Aspen Plus®

    Directory of Open Access Journals (Sweden)

    Jorge E. Preciado

    2012-11-01

    Full Text Available A steady state simulation of syngas production from a Steam Oxygen Gasification process using commercial technologies was performed using Aspen Plus®. For the simulation, the average proximate and ultimate compositions of bituminous coal obtained from the Colombian Andean region were employed. The simulation was applied to conduct sensitivity analyses in the O2 to coal mass ratio, coal slurry concentration, WGS operating temperature and WGS steam to dry gas molar ratio (SDG over the key parameters: syngas molar composition, overall CO conversion in the WGS reactors, H2 rich-syngas lower heating value (LHV and thermal efficiency. The achieved information allows the selection of critical operating conditions leading to improve system efficiency and environmental performance. The results indicate that the oxygen to carbon ratio is a key variable as it affects significantly both the LHV and thermal efficiency. Nevertheless, the process becomes almost insensitive to SDG values higher than 2. Finally, a thermal efficiency of 62.6% can be reached. This result corresponds to a slurry solid concentration of 0.65, a WGS process SDG of 0.59, and a LTS reactor operating temperature of 473 K. With these fixed variables, a syngas with H2 molar composition of 92.2% and LHV of 12 MJ Nm−3 was attained.

  17. Visible light-photocatalysed carbazole synthesis via a formal (4+2) cycloaddition of indole-derived bromides and alkynes.

    Science.gov (United States)

    Yuan, Zhi-Guang; Wang, Qiang; Zheng, Ang; Zhang, Kai; Lu, Liang-Qiu; Tang, Zilong; Xiao, Wen-Jing

    2016-04-14

    We successfully developed an unprecedented route to carbazole synthesis through a visible light-photocatalysed formal (4+2) cycloaddition of indole-derived bromides and alkynes. This novel protocol features extremely mild conditions, a broad substrate scope and high reaction efficiency.

  18. Synthesis of pyrimidinic nucleotides and nucleosides labelled with carbon 14, through tri-methylsilylated and lithiated derivatives

    International Nuclear Information System (INIS)

    Godbillon, Jacques

    1972-01-01

    After a presentation of the trimethysilylation, lithiation, and methylation processes, this research thesis reports the synthesis of methyl carbon 14 - 5 - uridine, of ethyl carbon 14 - 5 - desoxy - 2' - uridine, and of thymidine monophosphate - 5' (methyl carbon 14) by using silylated and lithiated derivatives. The author also reports preliminary studies of biological studies of the trimethylsilyl-5-uridine and of the iodine-6-thymine

  19. Three Component Synthesis of Substituted 4H-[1,3]Dioxin Derivatives Under Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Mohammad Reza Hosseini-Tabatabaei

    2012-01-01

    Full Text Available Reaction between aryl aldehydes, acetylacetone and alkyl isocyanides in solvent-free conditions provided a simple and efficient one-pot route for the synthesis of 1-(2-alkylamino-6-methyl-4-aryl-4H-[1,3]dioxin-5-ylethanone derivatives in excellent yields.

  20. A new practical approach towards the synthesis of unsymmetric and symmetric 1,10-phenanthroline derivatives at room temperature.

    Science.gov (United States)

    Cheng, Yongfeng; Han, Xuesong; Ouyang, Huangche; Rao, Yu

    2012-03-18

    An efficient method towards synthesis of 1,10-phenanthrolines is described. Through Lewis acid-catalyzed annulation reaction between 3-ethoxycyclobutanones and 8-aminoquinolines, a variety of unsymmetric and symmetric 1,10-phenanthroline derivatives were readily prepared with high regioselectivity at room temperature.

  1. New coal

    Energy Technology Data Exchange (ETDEWEB)

    1979-07-01

    Specially dedicated to coal, this edition comprises a series of articles of general interest dealing with the position of the French coalmining industry (interview with M.P. Gardent), the coal market in France, the work of CERCHAR, etc. New techniques, in-situ gasification of deep coal, gasification of coal by nuclear methods, the conversion of coal into petrol, the Emile Huchet power plant of Houilleres du Bassin de Lorraine, etc., are dealt with.

  2. Coal upgrading

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, S. [IEA Clean Coal Centre, London (United Kingdom)

    2009-10-15

    This report examines current technologies and those likely to be used to produce cleaner coal and coal products, principally for use in power generation and metallurgical applications. Consideration is also given to coal production in the leading coal producing countries, both with developed and developing industries. A range of technologies are considered. These include the coal-based liquid fuel called coal water mixture (CWM) that may compete with diesel, the production of ultra-clean coal (UCC) and coal liquefaction which competes with oil and its products. Technologies for upgrading coal are considered, especially for low rank coals (LRC), since these have the potential to fill the gap generated by the increasing demand for coal that cannot be met by higher quality coals. Potential advantages and downsides of coal upgrading are outlined. Taking into account the environmental benefits of reduced pollution achieved through cleaner coal and reduced transport costs, as well as other positive aspects such as a predictable product leading to better boiler design, the advantages appear to be significant. The drying of low rank coals improves the energy productively released during combustion and may also be used as an adjunct or as part of other coal processing procedures. Coal washing technologies vary in different countries and the implications of this are outlined. Dry separation technologies, such as dry jigging and electrostatic separation, are also described. The demonstration of new technologies is key to their further development and demonstrations of various clean coal technologies are considered. A number of approaches to briquetting and pelletising are available and their use varies from country to country. Finally, developments in upgrading low rank coals are described in the leading coal producing countries. This is an area that is developing rapidly and in which there are significant corporate and state players. 81 refs., 32 figs., 3 tabs.

  3. Synthesis, chemical and biological properties of the new mono- and bis-derivatives of imidazoles

    Directory of Open Access Journals (Sweden)

    E. V. Welchinska

    2014-12-01

    Full Text Available The aim of research. The problem of finding effective antitumour medical preparation with low toxicity is an important issue of medical and pharmaceutical chemistry. Knowledge of cancer cell features and its metabolism enables to predict the direction of chemical and biological research, to conduct a targeted synthesis of potential drugs, and to assess their applicability in oncological practice as antitumor agents. The purpose of work is to explain preformed heterocycles as purines, its synthesis and investigation of chemical and biological properties. After construction of the potential active structures we proposed the new method of original derivatives synthesis which are received on the base of imidazole, from one side, and fluorocontaining common anesthetic halothane (2-bromo-1,1,1-trifluoro-2-chloroethane from other side. Molecular complex of more perspective biologically active bis-imidazole with antitumour bacterial lectine has been received. With the purpose to synthesize potential antitumour compounds on the base of halothane and imidazole, new convenient methods for the preparation of original heterocyclic derivatives of imidazole have been described. The structure and composition of synthesized compound has been confirmed by the methods of elemental analysis, IR- and NMRІН-spectra. Materials and methods. The majority of the absolute organic solvents (benzene, dimethylformamide, ethyl ester employed in the present studies were distilled before their use. Organic solvents were dried over anhydrous magnesium sulfate or metallic sodium. Gas-liquid chromatography was carried out by Perkin Elmer chromatograph with UV-detector ("Perkin", Germany. IR spectra were recorded in a UR-20 spectrometer ("Charles Ceise Hena", Germany. The 1HNMR spectra were recorded in DMSO-d6 on a 200 MHz BrakerWP-200 ("Braker", Switzerland or Varian T-60 spectrometer ("Varian", USA. Investigation of critical toxicity of new compounds was carried out at

  4. Synthesis of 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives

    International Nuclear Information System (INIS)

    Elhadi, S. A.

    2004-09-01

    Quinolin derivatives are a group of compounds known to possess a wide range of biological activities. The chemistry of quinolines together with their corresponding aldehydes were dealt with in chapter one of this study. Special emphasis was given to the chemistry of benzaldehyde. Twenty five 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives together with their corresponding intermediates were prepared in this work. Basically, the synthetic design of these compounds arise from the appropriate disconnections of the target 2-phenyl and 2,3-diphenyl-quinolin-4-carboxylic acids. The retro synthesis analysis of these compounds reveals pyruvic acid, aromatic amine and benzaldehyde or phenyl pyruvic acid, aromatic amine and benzaldehyde as possible logical precursors for 2-phenyl-and 2,3-diphenyl- quinoline-4-carboxylic acids respectively. The purity and identities of the synthesized compounds were elucidated through chromatographic and spectroscopic techniques. The compounds were heavily subjected to spectroscopic analysis (UV, IR, GC/MS, 1 H-and 13 C- NMR). The appropriate disconnections and the mechanisms of the corresponding reactions were given and discussed in chapter three. The spectral data were interpreted and correlated with the target structures. The prepared 2-phenyl- and 2,3-diphenyl-quinoline-4-carboxylic acid derivatives were screened for their antibacterial activity. The compounds were tested against the standard bacterial organisms B. subtilis, S. aureus, E. coli and P. vulgaris. Some of these compounds were devoid of antibacterial activity against S. aureus and P. vulgaris, while others showed moderate activity. All of the tested compounds showed an activity against B. subtilis and E. coli. 2,3-diphenyl -6-sulphanilamide-quinolin-4-carboxylic acid showed the highest activity against the four standard tested organisms.(Author)

  5. Synthesis of 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Elhadi, S A [Department of Chemistry, Faculty of Education, University of Khartoum, Khartoum (Sudan)

    2004-09-01

    Quinolin derivatives are a group of compounds known to possess a wide range of biological activities. The chemistry of quinolines together with their corresponding aldehydes were dealt with in chapter one of this study. Special emphasis was given to the chemistry of benzaldehyde. Twenty five 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives together with their corresponding intermediates were prepared in this work. Basically, the synthetic design of these compounds arise from the appropriate disconnections of the target 2-phenyl and 2,3-diphenyl-quinolin-4-carboxylic acids. The retro synthesis analysis of these compounds reveals pyruvic acid, aromatic amine and benzaldehyde or phenyl pyruvic acid, aromatic amine and benzaldehyde as possible logical precursors for 2-phenyl-and 2,3-diphenyl- quinoline-4-carboxylic acids respectively. The purity and identities of the synthesized compounds were elucidated through chromatographic and spectroscopic techniques. The compounds were heavily subjected to spectroscopic analysis (UV, IR, GC/MS, {sup 1}H-and {sup 13}C- NMR). The appropriate disconnections and the mechanisms of the corresponding reactions were given and discussed in chapter three. The spectral data were interpreted and correlated with the target structures. The prepared 2-phenyl- and 2,3-diphenyl-quinoline-4-carboxylic acid derivatives were screened for their antibacterial activity. The compounds were tested against the standard bacterial organisms B. subtilis, S. aureus, E. coli and P. vulgaris. Some of these compounds were devoid of antibacterial activity against S. aureus and P. vulgaris, while others showed moderate activity. All of the tested compounds showed an activity against B. subtilis and E. coli. 2,3-diphenyl -6-sulphanilamide-quinolin-4-carboxylic acid showed the highest activity against the four standard tested organisms.(Author)

  6. Solvent-Free Synthesis of Quaternary Metal Sulfide Nanoparticles Derived from Thiourea

    KAUST Repository

    Bhunia, Manas Kumar; Abou-Hamad, Edy; Anjum, Dalaver H.; Gurinov, Andrei; Takanabe, Kazuhiro

    2017-01-01

    The synthesis of metal sulfide (MS) materials with sizes in the sub-10 nm regime often requires capping agents with long hydrocarbon chains that affect their structures and properties. Herein, this study presents a molten-state synthesis method

  7. Synthesis of new oxovanadium (IV) complexes of potential insulinmimetic activity with coumarin-3-carboxylic acid ligands and substituted derivatives

    International Nuclear Information System (INIS)

    Salas Fernandez, Paloma; Alvino de la Sota, Nora; Galli Rigo-Righi, Carla

    2013-01-01

    This work comprises the design and synthesis of four new oxovanadium (IV) complexes, a metal which possesses insulin-mimetic action. Coumarin-3-carboxylic acid and three of its 6 -and 6,8- derivatives were used as ligands. Coumarins are of interest due to their well-known biological properties and pharmacological applications; these include the insulino-sensibilizing effect of certain alcoxy-hydroxy-derivatives which might lead to the eventual existence of a synergetic effect with the active metal center. The synthesis of the vanadyl complexes was preceded by the synthesis of the coumarin-3-carboxylic acid and its 6-bromo- derivative, as well as the syntheses of three derivatives not previously reported: 6-bromo-8-metoxi-, 6-bromo-8-nitro-, and 6-bromo-8-hydroxy-, which were prepared by a Knoevenagel condensation reaction. The complexes, on their part, were prepared by a metathesis reaction between VOSO 4 and the corresponding ligands, on the basis of methods reported for other vanadyl complexes and under strict pH control. The coumarin-3-carboxylic ligands and the derivatives were characterized by 1 H-NMR-, FTIR- and UV-Vis-spectroscopy. In the case of the complexes, their paramagnetic character did not allow for NMR characterization, being thus identified by FT-IR-spectroscopy and by the quantitative determination of their vanadium contents. (author)

  8. Coal-92

    International Nuclear Information System (INIS)

    Hillring, B.; Sparre, C.

    1992-11-01

    Swedish consumption of coal and coke during 1991 and trends in technology, environment and market aspects of coal use are reported. Steam coal use in the heating sector was unchanged from 1991, 1.2 Mtons. Reduced consumption in smaller district heating units (due to conversion to biofuels and gas) was compensated by increased use for power generation in cogeneration plants. Coal consumption in industry fell 0.10 Mton to 0.84 Mton due to lower production in one industry branch. Import of steam coal was 1.1 Mton (down 0.5 Mton from 1990) since new rules for strategic reserves allowed a reduction of stocks. During the last five years stocks have been reduced by 2 Mtons. Import of metallurgical coal was 1.6 Mton, unchanged from 1990. The report also gives statistics for the coal using plants in Sweden, on coal R and D, and on emission laws for coal firing. (9 tabs., 2 figs.)

  9. The new deal of coal

    International Nuclear Information System (INIS)

    Kalaydjian, F.; Cornot-Gandolphe, S.

    2008-01-01

    While coal appears as an inescapable resource to answer the energy needs of the 21. century, its highly CO 2 emitting combustion represents a major risk with respect to the requirements of the fight against climate change. In the first part of this book, the basic aspects of energy markets are explained and in particular the role that coal is going to play in the world's energy supplies. In the second part, the new coal usages are presented, which, combined with CO 2 capture and sequestration techniques, should allow to conciliate a massive use of coal and the respect of environmental constraints. This book is based on the works presented in February 2008 by the French institute of petroleum (IFP) about the new outlets of coal and the risks for climate change. Content: 1 - coal, energy of the 21. century: abundant and well distributed reserves; growing up world production; exponential world demand; international trade: still limited but in full expansion; 2 - Technologies for a CO 2 -free coal: CO 2 capture and sequestration technologies; towards poly-generation; production of coal-derived liquid fuels; 3 - Appendices: coals formation; coal in China: status and perspectives; coal in the USA: status and perspectives; coal in India: status and perspectives; COACH: an ambitious European project; CBM - E-CBM, status and perspectives. (J.S.)

  10. Synthesis of new 3-(2-aminothiazol-4-yl-4-hydroxy-2H-chromen-2-one derivatives

    Directory of Open Access Journals (Sweden)

    S. SUKDOLAK

    2006-06-01

    Full Text Available Aminothiazole derivatives of 4-hydroxy-2H-chromen-2-one were prepared by the Hantzsch reaction1 using 3-(2-bromoacetyl-4-hydroxy-2H-chromen-2-one and thiourea derivatives. Starting compound for this synthesis 3-(2-bromoacetyl-4-hydroxy- 2H-chromen-2-one (1 was prepared previously.2 Also, for this synthesis we used thiourea derivatives (2a–j as compounds which possess groups with biological activity. Reactions are carried out in refluxing ethanol for a period of 30 – 45 min. Final products (3a–j are obtained in a high yield. Chemical structure of the obtained compounds was confirmed by elemental and structural analysis (IR and 1H NMR spectroscopy.

  11. Evaluation of alumina-aluminium phosphate catalyst supports for hydrodenitrogenation of pyridine and coal-derived liquids

    Energy Technology Data Exchange (ETDEWEB)

    Menon, R.; Joo, H.S.; Guin, J.A.; Reucroft, P.J.; Kim, J.Y. [Auburn University, Auburn, AL (United States). Dept. of Chemical Engineering

    1996-05-01

    Several alumina-aluminum phosphate (AAP) catalyst supports were prepared by a coprecipitation method. Effect of variations in Al/P atomic ratios on support textural properties were examined. Finished NiMo/AAP catalysts containing nominally 3 wt% Ni and 13 wt% Mo were prepared by incipient wetness and characterized by several methods including elemental, BET, and XPS surface analysis. Initial hydrodenitrogenation (HDN) activities of the catalysts were examined in both pyridine model compound and coal liquid reactions. The AAP supports showed the opportunity to tailor the catalyst pore size by variation of the Al/P ratio. On a per unit surface areas basis, the AAP-supported catalysts had initial HDN activities comparable to those of a commercial P-promoted NiMo/Al{sub 2}O{sub 3} catalyst. Because of their unique textural properties, i.e. variable pore sizes, the AAP catalysts may offer advantages when dealing with macromolecular feedstocks where hindered diffusion may slow reaction rates. 37 refs., 8 figs., 6 tabs.

  12. Synthesis and photocatalytic CO2 reduction performance of Cu2O/Coal-based carbon nanoparticle composites

    Science.gov (United States)

    Dedong, Zhang; Maimaiti, Halidan; Awati, Abuduheiremu; Yisilamu, Gunisakezi; Fengchang, Sun; Ming, Wei

    2018-05-01

    The photocatalytic reduction of CO2 into hydrocarbons provides a promising approach to overcome the challenges of environmental crisis and energy shortage. Here we fabricated a cuprous oxide (Cu2O) based composite photocatalyst consisting of Cu2O/carbon nanoparticles (CNPs). To prepare the CNPs, coal samples from Wucaiwan, Xinjiang, China, were first treated with HNO3, followed by hydrogen peroxide (H2O2) oxidation to strip nanocrystalline carbon from coal. After linking with oxygen-containing group such as hydroxyl, coal-based CNPs with sp2 carbon structure and multilayer graphene lattice structure were synthesized. Subsequently, the CNPs were loaded onto the surface of Cu2O nanoparticles prepared by in-situ reduction of copper chloride (CuCl2·2H2O). The physical properties and chemical structure of the Cu2O/CNPs as well as photocatalytic activity of CO2/H2O reduction into CH3OH were measured. The results demonstrate that the Cu2O/CNPs are composed of spherical particles with diameter of 50 nm and mesoporous structure, which are suitable for CO2 adsorption. Under illumination of visible light, electron-hole pairs are generated in Cu2O. Thanks to the CNPs, the fast recombination of electron-hole pairs is suppressed. The energy gradient formed on the surface of Cu2O/CNPs facilitates the efficient separation of electron-hole pairs for CO2 reduction and H2O oxidation, leading to enhanced photocatalytic activity.

  13. Comparison of Conventional and Microwave-assisted Synthesis of Benzimidazole Derivative from Citronellal in Kaffir lime oil (Citrus hystrix DC.)

    Science.gov (United States)

    Warsito, W.; Noorhamdani, A. S.; Suratmo; Dwi Sapri, R.; Alkaroma, D.; Azhar, A. Z.

    2018-04-01

    Simple method has been used for the synthesis of benzimidazole derivative from citronellal in kaffir lime oil under microwave irradiation. These compounds were synthesized also by conventional heating for comparison. In addtion, microwave-assited synthesis was also compared between using to dichloromethane and methanol solvents with variation of reaction time for 30 to 70 minutes and 4 to 12 h for conventional heating. The 2-citronellyl benzimidazole compound synthesized were characterised by FT-IR, GC-MS, 1H and 13C NMR spectroscopy. Comparison between conventional and microwave-assisted synthesis was done by comparing between correlation of reaction time and percentage yield. The time optimum of microwave-assisted and conventional synthesis using dichloromethane solvent respectively at 60 minutes (yield 19.23%) and 8 hours (yield 11.54%). In addition, microwave-assited synthesis increasing 157.81 times compared by conventional heating. While using methanol solvent tends to increase linearly however the percentage of yield only 0.77 times of synthesis using dichloromethane solvent.

  14. Synthesis and optical properties of enantiomeric cinchonidine/cinchonine-terpyridine derivatives and their metal complexes

    International Nuclear Information System (INIS)

    Wang, Hui-Ting; Wu, Wen-Jie; Liu, Jiang; Chen, Meng; Qian, Dong-Jin; Zhang, Li; Liu, Minghua

    2016-01-01

    We report here the synthesis and spectroscopic properties of two enantiomeric chiral tridentate ligands (TPyCCD and TPyCCN) composed of terpyridine (TPy) and cinchonidine (CCD) or cinchonine (CCN) substituent, as well as their metal complexes with Zn 2+ , Fe 2+ , Eu 3+ , and Tb 3+ ions. For the pure ligands, the fluorescent emission intensity increased as their concentrations increased in the dilute solutions, but they decreased when the concentrations were greater than 6.9×10 −6 mol/l due to concentration quenching. No significant influence on ligand luminescence was observed for the Zn 2+ /Fe 2+ –TPyCCD and –TPyCCN metal complexes. Their lanthanide (Eu 3+ and Tb 3+ ) complexes displayed both ligand and lanthanide ion emissions, suggesting that the excited energy of both ligands could be transferred to the central Eu 3+ and Tb 3+ ions. Mirror-image circular dichroism spectra were recorded, with several signals centered at about 230, 250–270, 296, and 320 nm; the first ones corresponded to the chiral CCD and CCN substituents, while the latter ones corresponded to the TPy substituent and the metal–TPy (M-TPy) coordination units. It is suggested that the chirality of TPy and the metal complexes was induced by the coexisting chiral CCD and CCN substituents. In addition, due to formation of the metal complexes, the relative intensity of the chiral signals of M–TPy coordination units was enhanced at about 320 nm. - Highlights: • Cinchona alkaloid-terpyridine derivatives and metal complexes were prepared. • Cinchona alkaloid-terpyridine derivatives gave off luminescence at 362 nm. • Ligand excited energy could efficiently transferred to lanthanide ions. • Chirality of terpyridine and metal complexes was induced.

  15. Synthesis of a metabolically stable modified long-chain fatty acid salt and its photolabile derivative

    Energy Technology Data Exchange (ETDEWEB)

    Stoll, G.H.; Voges, R.; Gerok, W.; Kurz, G. (Institut fuer Organische Chemie and Biochemie, Universitaet Freiburg (Germany))

    1991-05-01

    An analogue of the long-chain fatty acid salt, sodium stearate, was synthesized in which the hydrogen atoms at carbons 2, 3, and 18 were replaced by fluorine. The key step in the synthesis was the addition of 3-iodo-2,2,3,3-tetrafluoropropanoic acid amide to 15,15,15-trifluoro-1-pentadecene. Radioactivity was introduced by catalytic reduction of 2,2,3,3,18,18,18-heptafluoro-4-octadecenoic acid amide with carrier-free tritium gas yielding a product with the specific radioactivity of 2.63 TBq/mmol. The resulting 2,2,3,3,18,18,18-heptafluoro-4-octadecenoic acid has a pKa of about 0.5 and is completely dissociated under normal physiological conditions. The fluorinated fatty acid salt analogue is readily taken up into hepatocytes and proved to be metabolically inert. In an approach to the identification of proteins involved in long-chain fatty acid salt transport across membranes and intracellular compartments, the photolabile derivative 11,11-azo-2,2,3,3,18,18,18-heptafluoro(G-3H)octadecanoic acid sodium salt was synthesized with a specific radioactivity of 2.63 TBq/mmol. Photolysis of the photolabile derivative, using a light source with a maximum emission at 350 nm, occurred with a half-life of 1.5 min. The generated carbene reacted with 14C-labeled methanol and acetonitrile with covalent bond formation of 6-13%. Its efficacy for photoaffinity labeling was demonstrated by incorporation into serum albumin, the extracellular fatty acid salt-binding protein, as well as into the intracellular fatty acid salt-binding protein (FABP) of rat liver with the molecular weight of 14,000.

  16. Coal 1992

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    ACR's Coal 1992, the successor to the ACR Coal Marketing Manual, contains a comprehensive set of data on many aspects of the Australian coal industry for several years leading up to 1992. Tables and text give details of coal production and consumption in New South Wales, Queensland and other states. Statistics of the Australian export industry are complemented by those of South Africa, USA, New Zealand, Canada, Indonesia, China, Colombia, Poland and ex-USSR. Also listed are prices of Australian coking and non-coking coal, Australian coal stocks (and those of other major countries), loading port capacities, freight rates and coal quality requirements (analysis of coals by brand and supplier). A listing of Australian coal exporting companies is provided. A description of the spot Coal Screen Dealing System is given. World hard coal imports are listed by country and coal imports by major Asian countries tabulated. A forecast of demand by coal type and country up to the year 2000 is included.

  17. Novel vanillin derivatives: Synthesis, anti-oxidant, DNA and cellular protection properties.

    Science.gov (United States)

    Scipioni, Matteo; Kay, Graeme; Megson, Ian; Kong Thoo Lin, Paul

    2018-01-01

    Antioxidants have been the subject of intense research interest mainly due to their beneficial properties associated with human health and wellbeing. Phenolic molecules, such as naturally occurring Resveratrol and Vanillin, are well known for their anti-oxidant properties, providing a starting point for the development of new antioxidants. Here we report, for the first time, the synthesis of a number of new vanillin through the reductive amination reaction between vanillin and a selection of amines. All the compounds synthesised, exhibited strong antioxidant properties in DPPH, FRAP and ORAC assays, with compounds 1b and 2c being the most active. The latter also demonstrated the ability to protect plasmid DNA from oxidative damage in the presence of the radical initiator AAPH. At cellular level, neuroblastoma SH-SY5Y cells were protected from oxidative damage (H 2 O 2 , 400 μM) with both 1b and 2c. The presence of a tertiary amino group, along with the number of vanillin moieties in the molecule contribute for the antioxidant activity. Furthermore, the delocalization of the electron pair of the nitrogen and the presence of an electron donating substituent to enhance the antioxidant properties of this new class of compounds. In our opinion, vanillin derivatives 1b and 2c described in this work can provide a viable platform for the development of antioxidant based therapeutics. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  18. Molecular design, synthesis and physical properties of novel Cytisine-derivatives - Experimental and theoretical study

    Science.gov (United States)

    Ivanova, Bojidarka; Spiteller, Michael

    2013-02-01

    The paper presented a comprehensive theoretical and experimental study on the molecular drugs-design, synthesis, isolation, physical spectroscopic and mass spectrometric elucidation of novel functionalization derivatives of Cytisine (Cyt), using nucleosidic residues. Since these alkaloids have established biochemical profile, related the binding affinity of the nicotinic acetylcholine receptors (nAChRs), particularly α7 sub-type, the presented correlation between the molecular structure and properties allowed to evaluated the highlights of the biochemical hypothesises related the Schizophrenia. The anticancer activity of α7 subtype agonists and the crucial role of the nucleoside-based medications in the cancer therapy provided opportunity for further study on the biochemical relationship between Schizophrenia and few kinds of cancers, which has been hypothesized recently. The physical electronic absorptions (EAs), circular dichroic (CD) and Raman spectroscopic (RS) properties as well as mass spectrometric (MS) data, obtained using electrospray ionization (ESI) and atmospheric-pressure chemical ionization (APCI) methods under the positive single (MS) and tandem (MS/MS) modes of operation are discussed. Taking into account reports on a fatal intoxication of Cyt, the presented data would be of interest in the field of forensic chemistry, through development of highly selective and sensitive analytical protocols. Quantum chemical method is used to predict the physical properties of the isolated alkaloids, their affinity to the receptor loop and gas-phase stabilized species, observed mass spectrometrically.

  19. Synthesis and characterization of eggshell-derived hydroxyapatite via mechanochemical method: A comparative study

    Science.gov (United States)

    Hamidi, A. A.; Salimi, M. N.; Yusoff, A. H. M.

    2017-04-01

    The focus of bone graft properties has developed through generations, from the ability to withstand mechanical stress to the ability to integrate with the biological structure. In recent years, the use of hydroxyapatite (HA) as bone graft material in orthopedic and dental applications has been increasing. HA is a natural occuring mineral with excellent bioactivity but relatively poor mechanical properties. It constitutes 96% portion of enamel in teeth and 67% portion of bone. HA can be extracted from animal bones or fabricated from synthetic or biologic sources. In this study, eggshells were used as raw material to synthesize eggshell-derived HA (EHA) via mechanochemical method. The synthesis of EHA involved CaO, which was obtained from the calcination of eggshells, and reaction with dicalcium hydrogen phosphate dihydrous (DCPD) or phosphoric acid (H3PO4). The effects of rotational speed and heat treatment temperature on EHA's characteristics were investigated. The characterization studies were carried out by using the Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD) analysis and Scanning Electron Microscopy (SEM). HA powder was successfully synthesized with crystallite and particle sizes in the range of 8-47 nm and 250-550 nm respectively. It was observed from this study that the increase of milling rotational speed had increased the phase purity of EHA samples. Furthermore, the higher heating temperature of HA samples resulted in higher degree of crystallinity of HA and the appearance of β-tricalcium phosphate (β-TCP) as secondary phase.

  20. Dual Role of a Ricinoleic Acid Derivative in the Aqueous Synthesis of Silver Nanoparticles

    Directory of Open Access Journals (Sweden)

    Isadora Dantas Costa

    2017-01-01

    Full Text Available We show that sodium 9,10-epoxy-12-hydroxytetradecanoate (SEAR, an epoxidized derivative of ricinoleic acid, simultaneously functioned as reducing and stabilizing agents in the synthesis of silver nanoparticles in alkaline aqueous medium. The advantage of using SEAR is its biodegradability and nontoxicity, which are important characteristics for mitigation of environmental impact upon discharge of nanoparticles into terrestrial and aquatic ecosystems. The SEAR concentration was found to impact considerably the size distribution of silver nanoparticles (AgNPs. A concentration below the SEAR critical micelle concentration (CMC generated 23 nm sized AgNPs with 10 nm standard deviation, while 50 nm sized AgNPs (σ=21 nm were obtained at a concentration above the SEAR CMC. FTIR analysis revealed that the carboxylate that constitutes the SEAR hydrophilic head binds directly to the AgNPs surface promoting stabilization in solution. Finally, AgNPs turned into Ag2S upon contact with wastewater samples from Wastewater Treatment Plant at Federal University of Rio Grande do Norte (UFRN, Brazil, which is an interesting result, since Ag2S is more environmentally friendly than pure AgNPs.

  1. Synthesis, structural characterization and quantum chemical studies of silicon-containing benzoic acid derivatives

    Science.gov (United States)

    Zaltariov, Mirela-Fernanda; Cojocaru, Corneliu; Shova, Sergiu; Sacarescu, Liviu; Cazacu, Maria

    2016-09-01

    The present paper is concerned with the synthesis and molecular structure investigation of two new benzoic acid derivatives having trimethylsilyl tails, 4-((trimethylsilyl)methoxy) and 4-(3-(trimethylsilyl)propoxy)benzoic acids. The structures of the novel compounds have been confirmed by X-ray crystallography, Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (1H and 13C NMR). The theoretical studies of molecules were conducted by using the quantum chemical methods, such as Density Functional Theory (DFT B3LYP/6-31 + G**), Hartree-Fock (HF/6-31 + G**) and semiempirical computations (PM3, PM6 and PM7). The optimized molecular geometries have been found to be in good agreement with experimental structures resulted from the X-ray diffraction. The maximum electronic absorption bands observed at 272-287 nm (UV-vis spectra) have been assigned to π → π* transitions, which were in reasonable agreement with the time dependent density functional theory (TD-DFT) calculations. The computed vibrational frequencies by DFT method were assigned and compared with the experimental FTIR spectra. The mapped electrostatic potentials revealed the reactive sites, which corroborated the observation of the dimer supramolecular structures formed in the crystals by hydrogen-bonding. The energies of frontier molecular orbitals (HOMO and LUMO), energy gap, dipole moment and molecular descriptors for the new compounds were calculated and discussed.

  2. New anthrarobin acyl derivatives as butyrylcholinesterase inhibitors: synthesis, in vitro and in silico studies

    Directory of Open Access Journals (Sweden)

    Mehreen Lateef

    2017-07-01

    Full Text Available To treat Alzheimer's disease (AD, the available candidates are effective only against mild AD or have side effects. So, a study was planned to synthesis new candidates that may have good potential to treat AD. A series of new anthrarobin acyl derivatives (2–8 were synthesized by the reaction of anthrarobin (1 and acetic anhydride/acyl chlorides. The product were characterized by 1H NMR and EI-MS, and evaluated for butyrylcholinesterase (BuChE inhibition activity. Compounds 5 and 4 showed notable BuChE inhibitory potential with IC50 5.3 ± 1.23 and 17.2 ± 0.47 μM, respectively when compared with the standard eserine (IC50 7.8 ± 0.27 μM, compound 5 showed potent BuChE inhibition potential than the standard eserine. The active compounds 5 and 4 have acyl groups at 2-OH and 10-OH positions which may be responsible for inhibitory potential as this orientation is absent in other products. In silico studies of 5 and 4 products revealed the high inhibitory potential due to stable binding of ligand with the BuChE active sites with docking energy score −18.8779 kcal/mol and −23.1159 kcal/mol, respectively. Subsequently, compound 5 that have potent BuChE inhibitory activity could be the potential candidate for drug development for Alzheimer’s disease.

  3. One-Pot Multicomponent Synthesis of Thiourea Derivatives in Cyclotriphosphazenes Moieties

    Directory of Open Access Journals (Sweden)

    Zainab Ngaini

    2017-01-01

    Full Text Available In this study, hexasubstituted thiourea was carried out via reaction of isothiocyanato cyclophosphazene intermediates with a series of aromatics amines and amino acids in a one-pot reaction system. The reaction was not as straightforward as typical thiourea synthesis. Six unexpected thiourea derivatives 3a–f were formed in the presence of cyclotriphosphazene moieties in good yields (53–82%. The structures of 3a–f were characterized by elemental analysis and FTIR, 1H, 13C, and 31P NMR spectroscopies. The occurrence of reverse thioureas formation in a one-pot reaction system is discussed. The possible binding interaction of the synthesised thiourea 3a-b in comparison to the predicted phenyl thiourea 5a-b and the targeted 4a with enzyme enoyl ACP reductase (FabI is also discussed. Molecular docking of the targeted hexasubstituted thiourea 4a is able to give higher binding affinity of −7.5 kcal/mol compared to 5a-b (−5.9 kcal/mol and −6.3 kcal/mol and thiourea 3a-b (−4.5 kcal/mol and −4.7 Kcal/mol.

  4. Design, Synthesis, and Biological Evaluation of Vanillin Hydroxamic Acid Derivatives as Novel Peptide Deformylase Inhibitors.

    Science.gov (United States)

    Gao, Jian; Qiu, Shengzhi; Liang, Li; Hao, Zhixiang; Zhou, Qianqian; Wang, Fanfan; Mou, Jie; Lin, Qisi

    2018-01-01

    Infectious disease is increasingly hampering human health, which challenge the discovery of new antibacterial target. Peptide deformylase (PDF), a metalloenzyme responsible for catalyzing the removal of the N-formyl group from nascent proteins, was considered as an important target in antibacterial drug discovery. Reported here are the design, synthesis and biological evaluation of vanillin hydroxamic acid derivatives. Analysis of the structure-activity relationships lead to the discovery of compound 8, which exhibits promising antibacterial activity against Escherichia coli, Staphylococcus aureus, Aspergillus oryzae, and Aspergillus foetidus with the MIC value of 0.32 µg/ml, 0.32 µg/ml, 0.16 µg/ml and 0.16 µg/ml, respectively. Furthermore, molecular docking study was applied to elucidate binding interaction between compound 8 and PDF, which indicate that compound 8 not only shares the same binding pocket with actinonin, but also has a similar binding pattern. In silico pharmacokinetic and toxicity prediction studies also suggested that compound 8 has a relatively high drug score of 0.80, and has no risk of toxicity. Compound 8 might represent a promising scaffold for the further development of novel antibacterial drugs. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  5. In Silico Screening and Designing Synthesis of Cinchona Alkaloids Derivatives as Potential Anticancer

    Directory of Open Access Journals (Sweden)

    Muhammad Hanafi

    2017-06-01

    Full Text Available P-glycoprotein (P-gp resistance in cancer cells decreases intracellular accumulation of various anticancer drugs. This multidrug resistance (MDR protein can be modulated by a number of non-cytotoxic drugs. We have screened 30 chincona alkaloids derivatives as a potent P-gp inhibitor agent in silico. Hereby, we report the highest potential inhibitions of P-gp is Cinchonidine isobutanoate through molecular docking approach. with affinity energy -8.6 kcal/mol and inhibition constant, Ki is 4.89 x 10-7 M. Cinchonidine isobutanoate is also known has molecular weight below 500, Log P value 3.5, which is indicated violation free of Lipinski`s rule of five. Thus, Cinchonidine isobutanoate is the most potent compound as anticancer compare to other Cinchona alkaloids. Ultimately, we design Cinchonidine isobutanoate for further lead synthesis by using DBSA, act as a combined Brønsted acid-surfactant-catalyst (BASC to obtain high concentration of organic product by forming micellar aggregates which is very powerful catalytic application in water environment.

  6. Synthesis of naturally-derived macromolecules through simplified electrochemically mediated ATRP

    Directory of Open Access Journals (Sweden)

    Paweł Chmielarz

    2017-11-01

    Full Text Available The flavonoid-based macroinitiator was received for the first time by the transesterification reaction of quercetin with 2-bromoisobutyryl bromide. In accordance with the “grafting from” strategy, a naturally-occurring star-like polymer with a polar 3,3',4',5,6-pentahydroxyflavone core and hydrophobic poly(tert-butyl acrylate (PtBA side arms was synthesized via a simplified electrochemically mediated ATRP (seATRP, utilizing only 78 ppm by weight (wt of a catalytic CuII complex. To demonstrate the possibility of temporal control, seATRP was carried out utilizing a multiple-step potential electrolysis. The rate of the polymerizations was well-controlled by applying optimal potential values during preparative electrolysis to prevent the possibility of intermolecular coupling of the growing polymer arms. This appears to be the first report using on-demand seATRP for the synthesis of QC-(PtBA-Br5 pseudo-star polymers. The naturally-derived macromolecules showed narrow MWDs (Đ = 1.08–1.11. 1H NMR spectral results confirm the formation of quercetin-based polymers. These new flavonoid-based polymer materials may find applications as antifouling coatings and drug delivery systems.

  7. Synthesis, Characterization and Antimicrobial Evaluation of some Thiazole-Derived Carbamates, Semicarbazones, Amides and Carboxamide

    International Nuclear Information System (INIS)

    Balawi, N.A.A.; ALShaikh, M.A.A.; Alafeefy, A.M.; Khan, K.M.

    2016-01-01

    This study comprises the synthesis and characterization of twenty thiazole-derived carbamates (3a-e), N-substituted amides (8a-h) and carboxamide (10) from 2-aminothiazoles (1a, b) via nucleophilic substitution reactions with activated carbonyl compounds including, chloroformates (2a-d), acid chlorides (7a-e) and glutaric anhydride (9), respectively. Sequential hydrazinolysis of carbamate (3e) and condensation with a variety of aldehydes and ketones (5a d) afforded the corresponding semicarbazones (6a-d). Some selected synthesized compounds were subjected to in vitro antimicrobial evaluation against common pathogens including, Gram+ve bacteria Bacillus subtilis (NRRL B-543) and Staphylococcus aureus, Gram-ve bacteria Escherichia coli (NRRLB-21), yeasts-Candida albicans (NRRLY-477) and Saccharomyces cercvisiae (NRRL Y-567) and fungs Asperigillus niger (NRRL 599). Screening results revealed that most of the tested compounds possess good antimicrobial activity compared to standard drugs. The highest inhibitory effects against Gram-ve Escherichia coli, Gram+ve Staphylococcus aureus, yeast Candida albicans and fungus Aspergillus niger was displayed by amide (8g) bearing the thiophene moiety. (author)

  8. Prebiotic Synthesis of Autocatalytic Products From Formaldehyde-Derived Sugars as the Carbon and Energy Source

    Science.gov (United States)

    Weber, Arthur L.

    2003-01-01

    Our research objective is to understand and model the chemical processes on the primitive Earth that generated the first autocatalytic molecules and microstructures involved in the origin of life. Our approach involves: (a) investigation of a model origin-of-life process named the Sugar Model that is based on the reaction of formaldehyde- derived sugars (trioses and tetroses) with ammonia, and (b) elucidation of the constraints imposed on the chemistry of the origin of life by the fixed energies and rates of C,H,O-organic reactions under mild aqueous conditions. Recently, we demonstrated that under mild aqueous conditions the Sugar Model process yields autocatalytic products, and generates organic micropherules (2-20 micron dia.) that exhibit budding, size uniformity, and chain formation. We also discovered that the sugar substrates of the Sugar Model are capable of reducing nitrite to ammonia under mild aqueous conditions. In addition studies done in collaboration with Sandra Pizzarrello (Arizona State University) revealed that chiral amino acids (including meteoritic isovaline) catalyze both the synthesis and specific handedness of chiral sugars. Our systematic survey of the energies and rates of reactions of C,H,O-organic substrates under mild aqueous conditions revealed several general principles (rules) that govern the direction and rate of organic reactions. These reactivity principles constrain the structure of chemical pathways used in the origin of life, and in modern and primitive metabolism.

  9. Design, synthesis, α-glucosidase inhibitory activity, molecular docking and QSAR studies of benzimidazole derivatives

    Science.gov (United States)

    Dinparast, Leila; Valizadeh, Hassan; Bahadori, Mir Babak; Soltani, Somaieh; Asghari, Behvar; Rashidi, Mohammad-Reza

    2016-06-01

    In this study the green, one-pot, solvent-free and selective synthesis of benzimidazole derivatives is reported. The reactions were catalyzed by ZnO/MgO containing ZnO nanoparticles as a highly effective, non-toxic and environmentally friendly catalyst. The structure of synthesized benzimidazoles was characterized using spectroscopic technics (FT-IR, 1HNMR, 13CNMR). Synthesized compounds were evaluated for their α-glucosidase inhibitory potential. Compounds 3c, 3e, 3l and 4n were potent inhibitors with IC50 values ranging from 60.7 to 168.4 μM. In silico studies were performed to explore the binding modes and interactions between enzyme and synthesized benzimidazoles. Developed linear QSAR model based on density and molecular weight could predict bioactivity of newly synthesized compounds well. Molecular docking studies revealed the availability of some hydrophobic interactions. In addition, the bioactivity of most potent compounds had good correlation with estimated free energy of binding (ΔGbinding) which was calculated according to docked best conformations.

  10. Synthesis of Galactosyl Mannitol Derivative Using β-Galactosidase from Kluyveromyces lactis

    Directory of Open Access Journals (Sweden)

    Klewicki Robert

    2017-03-01

    Full Text Available The purpose of the study was to identify the influence of reactive mixture concentration (23–48 g/100 mL, pH (6.5–9.0, presence of NaCl (0.05–0.25 mol/L and enzyme dose (2850–28,500 LAU/100 g of lactose on the synthesis of galactosyl mannitol derivative using β-galactosidase from Kluyveromyces lactis. The use of the enzyme dose ranging from 2850 to 11,400 LAU/100 g lactose allowed obtaining gal-mannitol at the level of 21.8% total saccharides; higher doses intensified product decomposition. An increase in the concentration of the reactive mixture had a positive impact on the quantity of gal-mannitol obtained every single time, i.e. 4.39 g were obtained from 100 mL of a 23 g/100 mL solution and over 10 g were obtained from a 48 g/100 mL solution. A relatively low increase in product quantity (by ca. 5% occurred after the pH was increased from 6.5 to 9.0. The use of NaCl rendered better results. An increase in the maximum content of gal-mannitol in the total sugar by 12.8% was observed at the concentration of 0.25 mol/L.

  11. Quantum Chemical and Experimental Studies on the Mechanism of Alkylation of β-Dicarbonyl Compounds. The Synthesis of Five and Six Membered Heterocyclic Spiro Derivatives

    Directory of Open Access Journals (Sweden)

    Ali Hüseyinli

    2004-11-01

    Full Text Available The alkylation of β-dicarbonyl compounds in a K2CO3/DMSO system wasfound to afford O- and C-alkylated derivatives, depending on the type of the β-dicarbonylcompound involved. The alkyl derivatives obtained were used in the synthesis of some newspiro barbituric acid derivatives. Quantum chemical calculations were carried out toelucidate the reaction mechanisms for some typical synthesis.

  12. Coal pump

    Science.gov (United States)

    Bonin, John H.; Meyer, John W.; Daniel, Jr., Arnold D.

    1983-01-01

    A device for pressurizing pulverized coal and circulating a carrier gas is disclosed. This device has utility in a coal gasification process and eliminates the need for a separate collection hopper and eliminates the separate compressor.

  13. Synthesis of new annulated pyrano[2,3-d]pyrimidine derivatives using organo catalyst (DABCO in aqueous media

    Directory of Open Access Journals (Sweden)

    Ajmal R. Bhat

    2017-01-01

    Full Text Available A selective method for the synthesis of annulated pyrano[2,3-d]pyrimidines has been developed. It was shown that base catalysis is more efficient in this reaction, rather than acid catalysis as it is believed that 1,4-diazabicyclo[2.2.2]octane (DABCO is N-type base catalyst used for the synthesis of pyrano[2,3-d]pyramidine derivatives via one-pot three component condensation reactions of various aromatic aldehydes, active methylene compounds and barbituric acid in aqueous ethanol carried at normal temperature. The potential application of DABCO in organic synthesis increasing rapidly because of its reaction simplicity, less pollution, and minimum reaction time, high yields of the biological active products, uses less toxic solvents and low cost chemicals.

  14. Optical Fiber Chemical Sensor with Sol-Gel Derived Refractive Material as Transducer for High Temperature Gas Sensing in Clean Coal Technology

    Energy Technology Data Exchange (ETDEWEB)

    Shiquan Tao

    2006-12-31

    fiber optic sensors uses sol-gel derived porous silica materials doped with nanometer particles of noble metals in the form of fiber or coating for sensing trace H{sub 2}, NH{sub 3} and HCl in gas samples at for applications ambient temperature. The third classes of fiber optic sensors use sol-gel derived semiconductor metal oxide coating on the surface of silica optical fiber as transducers for selectively sensing H{sub 2}, CH{sub 4} and CO at high temperature. In addition, optical fiber temperature sensors use the fluorescence signal of rare-earth metal ions doped porous silica optical fiber or the optical absorption signal of thermochromic metal oxide materials coated on the surface of silica optical fibers have also been developed for monitoring gas temperature of corrosive gas. Based on the results obtained from this project, the principle of fiber optic sensor techniques for monitoring matrix gas components as well as trace components of coal gasification derived syngas has been established. Prototype sensors for sensing trace ammonia and hydrogen sulfide in gasification derived syngas have been built up in our laboratory and have been tested using gas samples with matrix gas composition similar to that of gasification derived fuel gas. Test results illustrated the feasibility of these sensors for applications in IGCC processes.

  15. Synthesis of nanoporous carbons from mixtures of coal tar pitch and furfural and their application as electrode materials

    Energy Technology Data Exchange (ETDEWEB)

    Petrova, B.; Tsyntsarski, B.; Budinova, T.; Petrov, N.; Ania, C.O.; Parra, J.B.; Mladenov, M.; Tzvetkov, P.

    2010-11-15

    Synthetic nanoporous carbons are prepared by polymerization of mixtures containing coal tar pitch and furfural in different proportions, followed by carbonization of obtained solid product and steam activation of the carbonizate. The chemical composition of the initial mixture significantly affects the physicochemical properties (surface area, pore structure, electro resistance and amount of oxygen-containing groups on the surface) of the obtained materials. The incorporation of oxygen in the precursor mixture by means of furfural, has a strong influence in the synthetic step; increasing the furfural content facilitates the formation of a solid product characterized by a large oxygen content. Moreover, the solid product is more reactive towards activation as the furfural content increases, giving rise to nanoporous carbons with large surface areas and unique chemical features (high density of oxygen functionalities of basic nature). These nanoporous carbons have been investigated as electrodes in electrochemical applications. (author)

  16. Synthesis of octahedral like Cu-BTC derivatives derived from MOF calcined under different atmosphere for application in CO oxidation

    Science.gov (United States)

    Yang, Yiqiong; Dong, Han; Wang, Yin; He, Chi; Wang, Yuxin; Zhang, Xiaodong

    2018-02-01

    A series of octahedral structure Cu-BTC derivatives were successfully achieved through direct calcination of copper based metal organic framework Cu-BTC under different atmosphere (CO reaction gas, oxidizing gas O2, reducing gas H2, inert gas Ar). The Cu-BTC derivatives were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), laser Raman spectroscopy (LRS), N2 adsorption-desorption isotherm, element analysis, H2-temperature program reduction (H2-TPR) and X-ray photoelectron spectroscopic (XPS). It is found that Cu-BTC derivative derived from MOF calcined under reaction gas/O2 (Cu-BTC-CO/Cu-BTC-O) only retain Cu2O and CuO species. In addition, a weak Cu-BTC structure and Cu particles were observed on Cu-BTC derivative derived from MOF calcined under H2 (Cu-BTC-H). Obviously differently, Cu-BTC derivative derived from MOF calcined under Ar (Cu-BTC-Ar) still retains good MOF structure. The catalytic performance for CO oxidation over Cu-BTC derivatives was studied. It was found that Cu-BTC-CO showed a smaller specific surface area (8.0 m2/g), but presented an excellent catalytic performance, long-term stability and cycling stability with a complete CO conversion temperature (T100) of 140 °C, which was ascribed to the higher Cu2O/CuO ratio, good low temperature reduction behavior and a high quantity of surface active oxygen species.

  17. Synthesis and characterization of mixed ligand Cu(II) complexes of salicylic acid derivatives with 2-aminobenzotiyazol derivatives

    OpenAIRE

    İlkimen, Halil; Yenikaya, Cengiz

    2018-01-01

    In thisstudy, mixed ligand transitionmetal complexes of Cu(II)have been prepared between salicylic acid derivatives [salicylic acid (H2sal) or acetylsalicylic acid (Hasal)] and 2-aminobenzothiazole derivatives[2-aminobenzothiazole (abt) or 2-amino-6-chlorobenzothiazole (Clabt) or2-amino-6-methylbenzothiazole (Meabt)]. The structures of amorphous metalcomplexes have been proposed by evaluating the data obtained from elementalanalysis, ICP-OES, FT-IR, UV-Vis, thermal analysis, magnetic suscepti...

  18. Ultrasound-Promoted One-Pot, Four-Component Synthesis of Pyridin-2(1H-One Derivatives

    Directory of Open Access Journals (Sweden)

    Jinming Yang

    2013-11-01

    Full Text Available An efficient one-pot synthesis of 1,6-diamino-2-oxo-1,2,3,4-tetrahydro- pyridine-3,5-dicarbonitrile derivatives by four-component piperidine-catalyzed reactions of a ketone, malononitrile, ethyl cyanoacetate and hydrazine hydrate under ultrasound irradiation is described. This method provides several advantages such as shorter reaction times, excellent yields, and a simple workup procedure.

  19. Synthesis of New 3-(2-Chloroquinolin-3-yl)-5-Phenylisoxazole Derivatives via Click-Chemistry Approach

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Galleguillos, Carlos; Saavedra, Luis A.; Gutierrez, Margarita [Laboratorio de Sintesis Organica, Instituto de Quimica de Recursos Naturales, Universidad de Talca (Chile)

    2014-02-15

    Herein, we report the synthesis of new substituted 3-(2-chloroquinolin-3-yl)-5-phenylisoxazole (3a-j) by click chemistry in good to moderate yields. This approach is based on the regioselective copper(I)-catalyzed cycloaddition between different nitrile oxides derived from 2-chloroquinoline- 3-carbaldehyde (2a-j) and phenylacetylene. Finally these derivatives were screened for their antibacterial evaluation in vitro against three Gram-negative clinical bacteria: Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii using standard methods. (author)

  20. Efficient synthesis of sulfonamide derivatives on solid supports catalyzed using solvent-free and microwave-assisted methods

    Energy Technology Data Exchange (ETDEWEB)

    Camargo-Ordonez, Argelia; Moreno-Reyes, Christian; Olazaran-Santibanez, Fabian; Martinez-Hernandez, Sheila; Bocanegra-Garcia, Virgilio; Rivera, Gildardo [Universidad Autonoma de Tamaulipas, Reynosa (Mexico). Dep. de Farmacia y Quimica Medicinal

    2011-07-01

    In this work we report the synthesis of sulfonamide derivatives using a conventional procedure and with solid supports, such as silica gel, florisil, alumina, 4A molecular sieves, montmorillonite KSF, and montmorillonite K10 using solvent-free and microwave-assisted methods. Our results show that solid supports have a catalytic activity in the formation of sulfonamide derivatives. We found that florisil, montmorillonite KSF, and K10 could be used as inexpensive alternative catalysts that are easily separated from the reaction media. Additionally, solvent-free and microwave-assisted methods were more efficient in reducing reaction time and in increasing yield. (author)

  1. Efficient synthesis of sulfonamide derivatives on solid supports catalyzed using solvent-free and microwave-assisted methods

    International Nuclear Information System (INIS)

    Camargo-Ordonez, Argelia; Moreno-Reyes, Christian; Olazaran-Santibanez, Fabian; Martinez-Hernandez, Sheila; Bocanegra-Garcia, Virgilio; Rivera, Gildardo

    2011-01-01

    In this work we report the synthesis of sulfonamide derivatives using a conventional procedure and with solid supports, such as silica gel, florisil, alumina, 4A molecular sieves, montmorillonite KSF, and montmorillonite K10 using solvent-free and microwave-assisted methods. Our results show that solid supports have a catalytic activity in the formation of sulfonamide derivatives. We found that florisil, montmorillonite KSF, and K10 could be used as inexpensive alternative catalysts that are easily separated from the reaction media. Additionally, solvent-free and microwave-assisted methods were more efficient in reducing reaction time and in increasing yield. (author)

  2. Synthesis of New 3-(2-Chloroquinolin-3-yl)-5-Phenylisoxazole Derivatives via Click-Chemistry Approach

    International Nuclear Information System (INIS)

    Fernández-Galleguillos, Carlos; Saavedra, Luis A.; Gutierrez, Margarita

    2014-01-01

    Herein, we report the synthesis of new substituted 3-(2-chloroquinolin-3-yl)-5-phenylisoxazole (3a-j) by click chemistry in good to moderate yields. This approach is based on the regioselective copper(I)-catalyzed cycloaddition between different nitrile oxides derived from 2-chloroquinoline- 3-carbaldehyde (2a-j) and phenylacetylene. Finally these derivatives were screened for their antibacterial evaluation in vitro against three Gram-negative clinical bacteria: Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii using standard methods. (author)

  3. Ultrasound mediated, iodine catalyzed green synthesis of novel 2-amino-3-cyano-4H-pyran derivatives.

    Science.gov (United States)

    Tabassum, Sumaiya; Govindaraju, Santhosh; Khan, Riyaz-ur-Rahaman; Pasha, Mohamed Afzal

    2015-05-01

    An efficient synthesis of a novel series of twelve substituted 2-amino-3-cyano-4H-pyran derivatives was achieved by a one-pot three-component cyclocondensation reaction of heteroaryl aldehydes, malononitrile and active methylene compounds catalyzed by iodine in aqueous medium under ultrasound irradiation. In comparison with conventional methods, our protocol is convenient and offers several advantages, such as shorter reaction time, higher yields, milder conditions and environmental friendliness. We have herein successfully demonstrated the synergistic outcome of multi-component reaction (MCR) and sonication to offer a facile route for the design of these derivatives. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Partial Oxidation Gas Turbine for Power and Hydrogen Co-Production from Coal-Derived Fuel in Industrial Applications

    Energy Technology Data Exchange (ETDEWEB)

    Joseph Rabovitser

    2009-06-30

    , pressures, and volumetric flows practically identical. In POGT mode, the turbine specific power (turbine net power per lb mass flow from expander exhaust) is twice the value of the onventional turbine. POGT based IGCC plant conceptual design was developed and major components have been identified. Fuel flexible fluid bed gasifier, and novel POGT unit are the key components of the 100 MW IGCC plant for co producing electricity, hydrogen and/or yngas. Plant performances were calculated for bituminous coal and oxygen blown versions. Various POGT based, natural gas fueled systems for production of electricity only, coproduction of electricity and hydrogen, and co production of electricity and syngas for gas to liquid and hemical processes were developed and evaluated. Performance calculations for several versions of these systems were conducted. 64.6 % LHV efficiency for fuel to electricity in combined cycle was achieved. Such a high efficiency arise from using of syngas from POGT exhaust s a fuel that can provide required temperature level for superheated steam generation in HRSG, as well as combustion air preheating. Studies of POGT materials and combustion instabilities in POR were conducted and results reported. Preliminary market assessment was performed, and recommendations for POGT systems applications in oil industry were defined. POGT technology is ready to proceed to the engineering prototype stage, which is recommended.

  5. One-pot green synthesis of zinc oxide nano rice and its application as sonocatalyst for degradation of organic dye and synthesis of 2-benzimidazole derivatives

    Science.gov (United States)

    Paul, Bappi; Vadivel, Sethumathavan; Dhar, Siddhartha Sankar; Debbarma, Shyama; Kumaravel, M.

    2017-05-01

    In this paper, we report novel and green approach for one-pot biosynthesis of zinc oxide (ZnO) nanoparticles (NPs). Highly stable and hexagonal phase ZnO nanoparticles were synthesized using seeds extract from the tender pods of Parkia roxburghii and characterized by XRD, FT-IR, EDX, TEM, and N2 adsorption-desorption (BET) studies. The present method of synthesis of ZnO NPs is very efficient and cost effective. The powder XRD pattern furnished evidence for the formation of hexagonal close packing structure of ZnO NPs having average crystallite size 25.6 nm. The TEM image reveals rice shapes ZnO NPs are with an average diameter of 40-60 nm. The as-synthesized ZnO NPs has proved to be an excellent sonocatalysts for degradation of organic dye and synthesis of 2-benzimidazole derivatives.

  6. Stereoselective synthesis, X-ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents.

    Science.gov (United States)

    Mabkhot, Yahia N; Alharbi, Mohammed M; Al-Showiman, Salim S; Ghabbour, Hazem A; Kheder, Nabila A; Soliman, Saied M; Frey, Wolfgang

    2018-05-11

    The synthesis of new thiazole derivatives is very important because of their diverse biological activities. Also , many drugs containing thiazole ring in their skeletons are available in the market such as Abafungin, Acotiamide, Alagebrium, Amiphenazole, Brecanavir, Carumonam, Cefepime, and Cefmatilen. Ethyl cyanoacetate reacted with phenylisothiocyanate, chloroacetone, in two different basic mediums to afford the thiazole derivative 6, which reacted with dimethylformamide- dimethyl acetal in the presence of DMF to afford the unexpected thiazole derivative 11. The structures of the thiazoles 6 and 11 were optimized using B3LYP/6-31G(d,p) method. The experimentally and theoretically geometric parameters agreed very well. Also, the natural charges at the different atomic sites were predicted. HOMO and LUMO demands were discussed. The anticancer activity of the prepared compounds was evaluated and showed moderate activity. Synthesis of novel thiazole derivatives was done. The structure was established using X-ray and spectral analysis. Optimized molecular structures at the B3LYP/6-31G(d,p) level were investigated. Thiazole derivative 11 has more electropositive S-atom than thiazole 6. The HOMO-LUMO energy gap is lower in the former compared to the latter. The synthesized compounds showed moderate anticancer activity.

  7. ZnO template strategy for the synthesis of 3D interconnected graphene nanocapsules from coal tar pitch as supercapacitor electrode materials

    Science.gov (United States)

    He, Xiaojun; Li, Xiaojing; Ma, Hao; Han, Jiufeng; Zhang, Hao; Yu, Chang; Xiao, Nan; Qiu, Jieshan

    2017-02-01

    3D interconnected graphene nanocapsules (GNCs) were prepared from diverse aromatic hydrocarbons by a nano-ZnO-template strategy coupled with in-situ KOH activation technique. The as-made graphene networks feature thin carbonaceous shells with well-balanced micropores and mesopores. Such 3D porous networks provide freeways for good electron conduction, short pores for ion fast transport, and abundant micropores for ion adsorption. As the electrodes in supercapacitors, the unique 3D GNCs show a high capacitance of 277 F g-1 at 0.05 A g-1, a good rate performance of 194 F g-1 at 20 A g-1, and an excellent cycle stability with over 97.4% capacitance retention after 15000 cycles in 6 M KOH electrolyte. This synthesis strategy paves a universal way for mass production of 3D graphene materials from diverse aromatic hydrocarbon sources including coal tar pitch and petroleum pitch for high performance supercapacitors as well as support and sorbent.

  8. Synthesis, anion exchange, and delamination of Co-Al layered double hydroxide: assembly of the exfoliated nanosheet/polyanion composite films and magneto-optical studies.

    Science.gov (United States)

    Liu, Zhaoping; Ma, Renzhi; Osada, Minoru; Iyi, Nobuo; Ebina, Yasuo; Takada, Kazunori; Sasaki, Takayoshi

    2006-04-12

    This paper describes a systematic study on the synthesis, anion exchange, and delamination of Co-Al layered double hydroxide (LDH), with the aim of achieving fabrication and clarifying the properties of LDH nanosheet/polyanion composite films. Co-Al-CO3 LDH hexagonal platelets of 4 mum in lateral size were synthesized by the urea method under optimized reaction conditions. The as-prepared CO3(2-)-LDH was converted to Cl- -LDH by treating with a NaCl-HCl mixed solution, retaining its high crystallinity and hexagonal platelike morphology. LDHs intercalated with a variety of anions (such as NO3-, ClO4-, acetate, lactate, dodecyl sulfate, and oleate) were further prepared from Cl- -LDH via an anion-exchange process employing corresponding salts. Exchanged products in various anion forms were found to show different delamination behaviors in formamide. Among them, best results were observed for NO3- -LDH in terms of the exfoliating degree and the quality of the exfoliated nanosheets. The delamination gave a pink transparent suspension containing well-defined nanosheets with lateral sizes of up to 2 microm. The resulting nanosheets were assembled layer-by-layer with an anionic polymer, poly(sodium styrene 4-sulfonate) (PSS), onto quartz glass substrates to produce composite films. Magnetic circular dichroism (MCD) measurements revealed that the assembled multilayer films exhibited an interesting magneto-optical response.

  9. Synthesis and secretion of platelet-derived growth factor by human breast cancer cell lines

    International Nuclear Information System (INIS)

    Bronzert, D.A.; Pantazis, P.; Antoniades, H.N.; Kasid, A.; Davidson, N.; Dickson, R.B.; Lippman, M.E.

    1987-01-01

    The authors report that human breast cancer cells secrete a growth factor that is biologically and immunologically similar to platelet-derived growth factor (PDGF). Serum-free medium conditioned by estrogen-independent MDA-MB-231 or estrogen-dependent MCF-7 cells contains a mitogenic or competence activity that is capable of inducing incorporation of [ 3 H] thymidine into quiescent Swiss 3T3 cells in the presence of platelet-poor plasma. Like authentic PDGF, the PDGF-like activity produced by breast cancer cells is stable after acid and heat treatment (95 0 C) and inhibited by reducing agents. The mitogenic activity comigrates with a material of ≅30 kDa on NaDodSO 4 /polyacrylamide gels. Immunoprecipitation with PDGF antiserum of proteins from metabolically labeled cell lysates and conditioned medium followed by analysis on nonreducing NaDodSO 4 /polyacrylamide gels identified proteins of 30 and 34 kDa. Upon reduction, the 30- and 34-kDa bands were converted to 15- and 16-kDa bands suggesting that the immunoprecipitated proteins were made up of two disulfide-linked polypeptides similar to PDGF. Hybridization studies with cDNA probes for the A chain PDGF and the B chain of PDGF/SIS identified transcripts for both PDGF chains in the MCF-7 and MDA-MB-231 cells. The data summarized above provide conclusive evidence for the synthesis and hormonally regulated secretion of a PDGF-like mitogen by breast carcinoma cells. Production of a PDGF-like growth factor by breast cancer cell lines may be important in mediating paracrine stimulation of tumor growth

  10. Synthesis, antifungal activity and docking study of 2-amino-4H-benzochromene-3-carbonitrile derivatives

    Science.gov (United States)

    Mirjalili, BiBi Fatemeh; Zamani, Leila; Zomorodian, Kamiar; Khabnadideh, Soghra; Haghighijoo, Zahra; Malakotikhah, Zahra; Ayatollahi Mousavi, Seyyed Amin; Khojasteh, Shaghayegh

    2016-07-01

    Pathogenic fungi are associated with diseases ranging from simple dermatosis to life-threatening infections, particularly in immunocompromised patients. During the past two decades, resistance to established antifungal drugs has increased dramatically and has made it crucial to identify novel antimicrobial compounds. Here, we selected 12 new compounds of 2-amino-4H-benzochromene-3-carbonitrile drivetives (C1-C12) for synthesis by using nano-TiCl4.SiO2 as efficient and green catalyst, then nine of synthetic compounds were evaluated against different species of fungi, positive gram and negative gram of bacteria. Standard and clinical strains of antibiotics sensitive and resistant fungi and bacteria were cultured in appropriate media. Biological activity of the 2-amino-4H-benzochromene-3-carbonitrile derivatives against fungi and bacteries were estimated by the broth micro-dilution method as recommended by clinical and laboratory standard institute (CLSI). In addition minimal fangicidal and bactericial concenteration of the compounds were also determined. Considering our results showed that compound 2-amino-4-(4-methyl benzoate)-4H-benzo[f]chromen-3-carbonitrile (C9) had the most antifungal activity against Aspergillus clavatus, Candida glabarata, Candida dubliniensis, Candida albicans and Candida tropicalis at concentrations ranging from 8 to ≤128 μg/mL. Also compounds 2-amino-4-(3,4-dimethoxyphenyl)-4H-benzo[f]chromen-3-carbonitrile (C4) and 2-amino-4-(4-isopropylphenyl)-4H-benzo[f]chromen-3-carbonitrile (C3) had significant inhibitory activities against Epidermophyton floccosum following 2-amino-4-(4-methylbenzoate)-4H-benzo[f]chromen-3-carbonitrile (C9), respectively. Docking simulation was performed to insert compounds C3, C4 and C9 in to CYP51 active site to determine the probable binding model.

  11. Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives

    Science.gov (United States)

    Tahir, Muhammad Nawaz; Khalid, Muhammad; Islam, Ayesha; Ali Mashhadi, Syed Muddassir; Braga, Ataualpa A. C.

    2017-01-01

    Antibacterial resistance is a worldwide problem. Sulfanilamide is widely used antibacterial. For the first time, we report here a simple method for the derivative synthesis of the title drugs, single crystal XRD and density functional theory (DFT) studies. The optimized molecular structure, natural bond orbital (NBO), frontier molecular orbitals (FMOs) molecular electrostatic potential studies (MEP) and Mulliken population analysis (MPA) have been performed using M06-2X/6-31G(d, p). The FT-IR spectra and thermodynamic parameters were calculated at M06-2X/6-311 + G(2d,p) and B3LYP/6-31G(d, p) levels respectively, while, the UV-Vis analysis was performed using TD-DFT/B3LYP/6-31G(d, p) method. The experimental FT-IR spectra of both compounds were also carried out to reconfirm sbnd H⋯Osbnd hydrogen bonds. The DFT optimized parameters exhibiting good agreement with the experimental data. NBO analysis explored the hyper conjugative interaction and stability of title crystals, especially, reconfirmed the existence of sbnd H⋯Osbnd hydrogen bonds between the dimers. The FT-IR, thermodynamic parameters, MEP and MPA also revealed the hydrogen bonding detail is harmonious to XRD data. As a matter of the fact, the hydrogen bonding is a significant parameter for the understanding and design of molecular crystals, subsequently; it can also play a vital role in the supramolecular chemistry. Moreover, the global reactivity descriptors suggest that title compounds might be bioactive.

  12. Synthesis and Investigation Absorption Features of Some Novel Hetarylazo Dyes Derived from Calix[4]resorcinarene

    Directory of Open Access Journals (Sweden)

    İzzet Şener

    2013-12-01

    Full Text Available In this study, several derivatives of amines were diazotized and coupled with 3-aminocrotonitrile to give 2-arylhydrazon-3-ketiminocrotononitrile. The synthesized components were then refluxed with hydrazine hydrate in ethanol to give a series of dyes 5-amino-4-arylazo-3-ethyl-1'H-Pyrazole. The synthesized dyes were diazotised and coupled with resorcinarene, which was obtained from condensation of between resorcinol and acetaldehyde, to give a new synthesis of azo dyes based on resorcinarene. The structures of synthesized dyes based on resorcinarene were characterized by spectral methods. The effect of varying solvents, acid and base upon the absorption spectra of resultant dyes has been investigated. Key words: Resorcinarene, Azo Dyes, Absorption Spectra, Solvent Effect, Acid-Base Effect Rezorsinaren Bazlı Azo Boyarmaddelerin Sentezi ve Absorpsiyon Özelliklerinin İncelenmesi Özet: Bu çalışmada, çeşitli amin türevleri diazolanmış ve 3-aminokrotonitril ile kenetlenerek 2-arilhidrazon-3-ketiminokrotononitril bileşikleri elde edilmiştir. Elde edilen bileşikler, hidrazinhidrat ile etanol içerisinde reflaks edilerek bir seri 5-amino-4-arilazo-3-metil-1'H-pirazol boyaları elde edilmiştir. Elde edilen boyalar diazonlarak rezorsinol ve asetaldehit arasındaki kondenzasyondan elde edilen rezorsinaren bileşiği ile kenetlenmiş ve rezorsinaren bazlı azo boyarmaddeler sentezlenmiştir. Sentezlenen rezorsinaren bazlı azoboyarmaddelerin yapıları spektrofotometrik yöntemler kullanılarak incelendi. Sentezlenen boyarmaddelerin görünür bölge absorpsiyon spektrumları üzerine değişik çözücü, asit ve baz etkileri incelendi. Anahtar kelimeler: Rezorsiaren, Azo Boyarmadde, Absorpsiyon Spektrumu, Çözücü Etkisi, Asit-Baz Etkisi

  13. Synthesis of samarium complexes with the derivative binder of Schiff Quinolinic base. Characterization and photophysical study

    International Nuclear Information System (INIS)

    Lucas H, J.

    2016-01-01

    In this work we determined the metal: binder stoichiometry of the species formed during the UV/Vis spectrophotometric titration of the derivative binder of Schiff quinolinic base, L1 with the samarium nitrate pentahydrate in methanol. Statistical analysis of the data allowed proposing the metal: binder stoichiometry for the synthesis of the complexes which was one mole of samarium salt by 2.5 moles of binder and thus favor the formation of complexes with 1M: 1L and 1M: 2L stoichiometries. They were synthesized in aqueous-organic medium (water-ethanol), isolated and purified two complexes with stoichiometry 1 Sm: 1 L1, complex 1 and 1 Sm: 2 L1, complex 2. The overall yield of the reaction was 76%. The characterization of the formed complexes was performed by visible ultraviolet spectrometry (UV/Vis), nuclear magnetic resonance, X-ray photoelectron spectroscopy (XP S), thermal gravimetric analysis with differential scanning calorimetry (TGA/DSC), and radial distribution function. These complexes were studied by fluorescence and emission phosphorescence at variable temperature. Spectroscopic techniques used in both solution and solid demonstrated the formation and stability of these complexes. In addition XP S indicated that in both complexes the samarium retains its oxidation state 3+. Luminescence studies indicated that there is intra-binding charge transfer which decreases the transfer of light energy from the binder to the samarium. Based on the experimental results, L1 binder molecules and complexes 1 and 2 were modeled that demonstrated the proposed Nc for each complex, as well as allowed to visualize the structural arrangement of the molecules, complexes and binder. (Author)

  14. Synthesis, characterization and nano-structuration of poly-thiophene derivatives for organic photovoltaic solar cells

    International Nuclear Information System (INIS)

    Berson, S.

    2007-10-01

    This work is devoted to the synthesis of poly-thiophene derivatives with low bandgap and preserving high oxidation potential. Disubstituted thiophenes and 'Donor-Acceptor' bi-thiophenes were synthesized and then polymerized. The side chains of these polymers, donor or acceptor, were modified in order to tune the properties of material as well from the optical point of view as electrochemical. These polymers were also tested in blend with PCBM in bulk-heterojunction photovoltaic cells. Voc delivered by the devices showed a linear dependence according to the potential of oxidation of the polymers. Copolymers containing cyano-thiophene and alkyl- or alkoxy-thiophene showed values of 0.8 V. However, in spite of power conversion efficiency of 1 %, these performances remain lower than the one obtained with the P3HT. Optimizations in terms of morphology are certainly necessary. Indeed, the morphology of the active layer plays a key role in obtaining high power conversion efficiency. An original technique of nano-structuration of the polymer on a nano-metric scale was developed during this work, leading to the development of fibrillar P3HT. These nano-structures, presenting an important degree of order, are formed spontaneously in solution. Their rate compared to amorphous material is perfectly controllable and adjustable in solution and in solid state. Measurements of mobilities show a strong improvement of the transport of load within these fibrillar layers compared to a traditional film of P3HT obtained without annealing. Power conversion efficiencies of 3.6% on glass and 3.3 % on plastic were reached without annealing. (author)

  15. Synthesis, characterization and nano-structuration of poly-thiophene derivatives for organic photovoltaic solar cells

    International Nuclear Information System (INIS)

    Berson, S.

    2007-10-01

    This work is devoted to the synthesis of poly-thiophene derivatives with low bandgap and preserving high oxidation potential. Di-substituted thiophenes and 'Donor-Acceptor' bi-thiophenes were synthesized and then polymerized. The side chains of these polymers, donor or acceptor, were modified in order to tune the properties of material as well from the optical point of view as electrochemical. These polymers were also tested in blend with PCBM in bulk-heterojunction photovoltaic cells. Voc delivered by the devices showed a linear dependence according to the potential of oxidation of the polymers. Copolymers containing cyano-thiophene and alkyl- or alkoxy-thiophene showed values of 0.8 V. However, in spite of power conversion efficiency of 1 %, these performances remain lower than the one obtained with the P3HT. Optimizations in terms of morphology are certainly necessary. Indeed, the morphology of the active layer plays a key role in obtaining high power conversion efficiency. An original technique of nano-structuration of the polymer on a nano-metric scale was developed during this work, leading to the development of fibrillary P3HT. These nano-structures, presenting an important degree of order, are formed spontaneously in solution. Their rate compared to amorphous material is perfectly controllable and adjustable in solution and in solid state. Measurements of mobilities show a strong improvement of the transport of load within these fibrillary layers compared to a traditional film of P3HT obtained without annealing. Power conversion efficiencies of 3.6 % on glass and 3.3 % on plastic were reached without annealing. (author)

  16. New aminoporphyrins bearing urea derivative substituents: synthesis, characterization, antibacterial and antifungal activity

    Directory of Open Access Journals (Sweden)

    Gholamreza Karimipour

    2015-06-01

    Full Text Available This work studied the synthesis of 5,10,15-tris(4-aminophenyl-20-(N,N-dialkyl/diaryl-N-phenylurea porphyrins (P1-P4 with alkyl or aryl groups of Ph, iPr, Et and Me, respectively and also the preparation of their manganese (III and cobalt (II complexes (MnP and CoP. The P1-P4 ligands were characterized by different spectroscopic techniques (1H NMR, FTIR, UV-Vis and elemental analysis, and metalated with Mn and Co acetate salts. The antibacterial and antifungal activities of these compounds in vitro were investigated by agar-disc diffusion method against Escherichia coli (-, Pseudomonas aeruginosa (-, Staphylococcus aureus(+, Bacillus subtilis (+ and Aspergillus oryzae and Candida albicans. Results showed that antibacterial and antifungal activity of the test samples increased with increase of their concentrations and the highest activity was obtained when the concentration of porphyrin compounds was 100 µg/mL. The activity for the porphyrin ligands depended on the nature of the urea derivative substituents and increased in the order P1 > P2 > P3 >P4, which was consistent with the order of their liposolubility. MnP and CoP complexes exhibited much higher antibacterial and antifungal activity than P1-P4ligands. Further, the growth inhibitory effects of these compounds was generally in the order CoP complexes > MnP complexes > P1-P4 ligands. Among these porphyrin compounds, CoP1displayed the highest antibacterial and antifungal activity, especially with a concentration of 100 µg/mL, against all the four tested bacteria and two fungi, and therefore it could be potential to be used as drug.

  17. Synthesis, structure combined with conformational analysis, biological activities and docking studies of bis benzylidene cyclohexanone derivatives

    Directory of Open Access Journals (Sweden)

    Gehad Lotfy

    2017-07-01

    Full Text Available We report the synthesis and biological evaluation of bis benzylidne cyclohexanone derivatives 2,6-di(4-fluorobenzylidenecyclohexanone 3a and (2E,6E‐2,6‐bis({[4‐(trifluoromethylphenyl]methylidene}cyclohexanone 3b. Compound 3b crystallized in the monoclinic space group P21/n with unit cell parameters a = 29.3527(12 Å, b = 8.3147(3 Å, c = 32.7452(14 Å, β = 112.437(2°, and V = 7386.8(5 Å3, Z = 16, and Rint = 0.072 at T = 100 K. The asymmetric unit contains four independent molecules, each of which has slight differences in the bond lengths and angles. One non-classical C11D–H11F⋯F3A hydrogen bond connects the molecules. Density functional theory was used to optimize the structures and calculate the natural charges, dipole moments, frontier molecular orbitals, and NMR and UV–Vis spectroscopic properties, which are discussed and compared with the experimental data. The synthetic derivatives were evaluated for α-glucosidase inhibitory activity, and we found that compound 3a (IC50 = 96.3 ± 0.51 μM is a potent α-glucosidase inhibitor, showing superior activity to the standard drug acarbose (IC50 = 841 ± 1.73 μM. Compound 3b (IC50 = 7.92 ± 1.3 μg/mL was found to be a potent antileishmanial compound, especially compared to the antileishmanial drugs pentamidine (IC50 = 5.09 ± 0.04 μM and amphotericine B (IC50 = 0.29 ± 0.05 μg/mL. In addition, 3a and 3b have cytotoxic effects against PC3 (prostate cancer, HeLa (cervical cancer, and MCF-3 (breast cancer cell lines. Docking study for compounds activity was performed with Openeye software in order to understanding their pose of interaction in the target receptors.

  18. Hydrodeoxygenation of heavy oils derived from low-temperature coal gasification over NiW catalysts-effect of pore structure

    Energy Technology Data Exchange (ETDEWEB)

    Dieter Leckel [Sasol Technology Research and Development, Sasolburg (South Africa). Fischer-Tropsch Refinery Catalysis

    2008-01-15

    The effect of the pore structure on the hydroprocessing of heavy distillate oils derived from low-temperature coal gasification residues was studied using four NiW catalysts with different pore size distributions. The hydroprocessing was conducted at a pressure of 17.5 MPa, a temperature range of 370-410{sup o}C, and a 0.50 h{sup -1} space velocity. The degree of hydrodeoxygenation (HDO) in terms of phenolics removal was influenced by the catalyst pore structure, with the most preferable peak pore diameter for HDO ranging between 6.8 and 16 nm. The catalyst with the highest volume of pores in the 3.5-6 nm range showed the lowest HDO activity. The apparent activation energies for the HDO reaction varied between 59 and 87 kJ/mol, whereby the lowest values are obtained for the catalysts with a peak pore diameter of 11 and 16 nm. 30 refs., 5 figs., 6 tabs.

  19. Studies of the combustion of coal/refuse derived fuels using thermogravimetric-Fourier transform infrared-mass spectrometry

    International Nuclear Information System (INIS)

    Lu, Huagang; Li, Jigui; Lloyd, W.G.

    1995-01-01

    According to a report of the Environmental Protection Agency (EPA), 'Characterization of Municipal Solid Waste (MSW) in the United States', the total MSW produced in the U.S. increased from 179 million tons in 1988 to 195 million tons in 1990. The EPA predicted that the country would produce about 216 million tons of garbage in the year 2000. The amount of waste generated and the rapidly declining availability of sanitary landfills has forced most municipalities to evaluate alternative waste management technologies for reducing the volume of waste sent to landfills. The fraction of MSW that is processed by such technologies as separation and recycling, composting, and waste-to-energy was forecast to increase from a few percent today to 30-40% by the year 2000. Waste-to-energy conversion of MSW can appear to be attractive because of the energy recovered, the economic value of recycled materials, and the cost savings derived from reduced landfill usage. However, extra care needs to be taken in burning MSW or refuse-derived fuel (RDF) to optimize the operating conditions of a combustor so that the combustion takes place in an environmentally acceptable manner. For instance, polychlorinated dibenzodioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) have been found in the precipitator fly ash and flue gas of some incinerator facilities in the United States and Europe. The amount of PCDDs and PCDFs occurs only in the parts-per-billion to parts-per-trillion range, but these chlorinated organics exhibit very high toxicity (LD 50 < 10 μg/Kg). The compound 2,3,7,8-tetrachlorodibenzodioxin has been found to be acnegenic, carcinogenic, and teratogenic. This has slowed or even stopped the construction and operation of waste-to-energy plants

  20. Studies of the combustion of coal/refuse derived fuels using thermogravimetric-Fourier transform infrared-mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Huagang; Li, Jigui; Lloyd, W.G.

    1995-11-01

    According to a report of the Environmental Protection Agency (EPA), `Characterization of Municipal Solid Waste (MSW) in the United States`, the total MSW produced in the U.S. increased from 179 million tons in 1988 to 195 million tons in 1990. The EPA predicted that the country would produce about 216 million tons of garbage in the year 2000. The amount of waste generated and the rapidly declining availability of sanitary landfills has forced most municipalities to evaluate alternative waste management technologies for reducing the volume of waste sent to landfills. The fraction of MSW that is processed by such technologies as separation and recycling, composting, and waste-to-energy was forecast to increase from a few percent today to 30-40% by the year 2000. Waste-to-energy conversion of MSW can appear to be attractive because of the energy recovered, the economic value of recycled materials, and the cost savings derived from reduced landfill usage. However, extra care needs to be taken in burning MSW or refuse-derived fuel (RDF) to optimize the operating conditions of a combustor so that the combustion takes place in an environmentally acceptable manner. For instance, polychlorinated dibenzodioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) have been found in the precipitator fly ash and flue gas of some incinerator facilities in the United States and Europe. The amount of PCDDs and PCDFs occurs only in the parts-per-billion to parts-per-trillion range, but these chlorinated organics exhibit very high toxicity (LD{sub 50} < 10 {mu}g/Kg). The compound 2,3,7,8-tetrachlorodibenzodioxin has been found to be acnegenic, carcinogenic, and teratogenic. This has slowed or even stopped the construction and operation of waste-to-energy plants.

  1. Influence of mechanical activation on the synthesis of Sr-Celsian employing a precursor mixture containing coal fly ash

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Badillo, C. M.; Lopez-Cuevas, J.; Rodriguez-Galicia, J. L.; Gutierrez-Chavarria, C. A.; Pech-Canul, M. I.

    2013-05-01

    Strontium aluminosilicate, SrAl{sub 2}Si{sub 2}O{sub 8} (SAS), was synthesized by a solid state reaction using coal fly ash (CFA) as main raw material. A precursor mixture of SrCO{sub 3}, CFA and Al{sub 2}O{sub 3} was mechanically-activated for times of up to 12 h using an attrition mill, and subsequently sintered at temperatures of 900-1300 degree centigrade. The CFA and the mechanical activation were employed with the aim to promote the transformation from the hexagonal (Sr-Hexacelsian) into the monoclinic (Sr-Celsian) polymorphic form of SAS, since the latter phase is associated with better physical and mechanical properties but the former tends to be the first one to appear. The mean particle size, the crystallite size and the temperature at the end of the curve of weight loss (Tf) decreased, while the specific surface area and the degree of amorphization increased, with increasing milling time. Samples milled for at least 4 h and then sintered at 1100 degree centigrade achieved full transformation into Sr-Celsian. The same result was obtained for sintering temperatures higher than 1100 degree centigrade, independently of milling time. An increment in both the milling time and the sintering temperature allowed us to improve the densification and the mechanical properties of the synthesized materials. (Author) 24 refs.

  2. Influence of mechanical activation on the synthesis of Sr-Celsian employing a precursor mixture containing coal fly ash

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Badillo, C. M.; Lopez-Cuevas, J.; Rodriguez-Galicia, J. L.; Gutierrez-Chavarria, C. A.; Pech-Canul, M. I.

    2013-06-01

    Strontium aluminosilicate, SrAl{sub 2}Si{sub 2}O{sub 8} (SAS), was synthesized by a solid state reaction using coal fly ash (CFA) as main raw material. A precursor mixture of SrCO{sub 3}, CFA and Al{sub 2}O{sub 3} was mechanically-activated for times of up to 12 h using an attrition mill, and subsequently sintered at temperatures of 900-1300 degree centigrade. The CFA and the mechanical activation were employed with the aim to promote the transformation from the hexagonal (Sr-Hexacelsian) into the monoclinic (Sr-Celsian) polymorphic form of SAS, since the latter phase is associated with better physical and mechanical properties but the former tends to be the first one to appear. The mean particle size, the crystallite size and the temperature at the end of the curve of weight loss (Tf) decreased, while the specific surface area and the degree of amorphization increased, with increasing milling time. Samples milled for at least 4 h and then sintered at 1100 degree centigrade achieved full transformation into Sr-Celsian. The same result was obtained for sintering temperatures higher than 1100 degree centigrade, independently of milling time. An increment in both the milling time and the sintering temperature allowed us to improve the densification and the mechanical properties of the synthesized materials. (Author)

  3. Influence of mechanical activation on the synthesis of Sr-Celsian employing a precursor mixture containing coal fly ash

    International Nuclear Information System (INIS)

    Lopez-Badillo, C. M.; Lopez-Cuevas, J.; Rodriguez-Galicia, J. L.; Gutierrez-Chavarria, C. A.; Pech-Canul, M. I.

    2013-01-01

    Strontium aluminosilicate, SrAl 2 Si 2 O 8 (SAS), was synthesized by a solid state reaction using coal fly ash (CFA) as main raw material. A precursor mixture of SrCO 3 , CFA and Al 2 O 3 was mechanically-activated for times of up to 12 h using an attrition mill, and subsequently sintered at temperatures of 900-1300 degree centigrade. The CFA and the mechanical activation were employed with the aim to promote the transformation from the hexagonal (Sr-Hexacelsian) into the monoclinic (Sr-Celsian) polymorphic form of SAS, since the latter phase is associated with better physical and mechanical properties but the former tends to be the first one to appear. The mean particle size, the crystallite size and the temperature at the end of the curve of weight loss (Tf) decreased, while the specific surface area and the degree of amorphization increased, with increasing milling time. Samples milled for at least 4 h and then sintered at 1100 degree centigrade achieved full transformation into Sr-Celsian. The same result was obtained for sintering temperatures higher than 1100 degree centigrade, independently of milling time. An increment in both the milling time and the sintering temperature allowed us to improve the densification and the mechanical properties of the synthesized materials. (Author)

  4. Organic titanates: a model for activating rapid room-temperature synthesis of shape-controlled CsPbBr3 nanocrystals and their derivatives.

    Science.gov (United States)

    Fang, Shaofan; Li, Guangshe; Li, Huixia; Lu, Yantong; Li, Liping

    2018-04-12

    The application of lead halide perovskite nanocrystals is challenged by the lack of strategies in rapid room-temperature synthesis with controlled morphologies. Here, we report on an initial study of adopting organic titanates as a model activator that promotes rapid room-temperature synthesis of shape-controlled, highly luminescent CsPbBr3 nanocrystals and their derivatives.

  5. Synthesis and capacitance properties of N-doped porous carbon/NiO nanosheet composites using coal-based polyaniline as carbon and nitrogen source

    Science.gov (United States)

    Wang, Xiaoqin; Li, Qiaoqin; Zhang, Yong; Yang, Yufei; Cao, Zhi; Xiong, Shanxin

    2018-06-01

    A novel synthesis approach of N-doped porous carbon (NPC)/NiO composites possessing some honeycomb-shaped nanoporous carbon and plentiful NiO nanosheets is exploited. First NPC/Ni composites are achieved with NPC yield of 52.9% through a catalytic pyrolysis method, using coal-based polyaniline particles prepared by an in-situ polymerization method as a carbon and nitrogen source, and nickel particles as a catalyst, respectively. Next NPC/NiO composites are achieved unexpectedly with plentiful NiO nanosheets and N content of 1.00 wt% after a liquid oxidation process. In NPC/NiO composites, porous carbon mainly presents in the amorphous state, while the incorporated nitrogen mainly presents in the form of pyrrolic N (92.9 at.%) and oxidized N (7.1 at.%). Plentiful NiO nanosheets are embedded in the pores or on the NPC surface. 33.3 at.% Ni2O3 components exist in the surface of NiO nanosheets. NPC/NiO composites possess not only rich micropores, but also significant mesopores and nanoscale macropores. The BET specific surface area, BET average pore width and BJH adsorption average pore diameter are 627.5 m2/g, 2.0 nm and 5.1 nm, respectively. NPC/NiO composites demonstrate a high specific capacitance of 404.1 F/g at 1 A/g, and a good cycling stability maintaining high specific capacitance of 212.4 F/g (84.3% of the initial capacitance) at 5 A/g after 5000 cycles of charge and discharge, attributed to some honeycomb-shaped nanopores of carbon and large specific surface area of NiO nanosheets, and the synergistic effects between electric double-layer capacitance of NPC and pseudocapacitance of NiO. This study may provide a novel approach for the value-added applications of low-rank coal.

  6. Synthesis of Various Polyaniline / Clay Nanocomposites Derived from Aniline and Substituted Aniline Derivatives by Mechanochemical Intercalation Method

    Directory of Open Access Journals (Sweden)

    N. Kalaivasan

    2010-01-01

    Full Text Available Polyaniline clay nanocomposite can be prepared by mechano-chemical method in which intercalation of anilinium ion into the clay lattices accomplished by mechanical grinding of sodium montmorillonite (Na+MMT in presence of anilinium hydrochloride at room temperature using mortar & pestle for about 30 min and subsequent grinding with oxidizing agent, ammonium peroxysulfate. The appearance of green colour indicates the formation of polyaniline/clay nanocomposite (PANI/Clay. Similarly aniline derivatives like o-toludine and o-anisidine in the form of HCl salt can form intercalation into the clay lattices. The intercalated aniline derivatives were ground mechanically in presence of oxidizing agent ammonium peroxysulfate lead to formation of substituted polyaniline/ clay nanocomposites. The characteristics of various polyaniline-clay nanocomposites were investigated using UV-Visible, FT-IR, cyclic voltammetry studies.

  7. Measurement of local cerebral protein synthesis in vivo: influence of recycling of amino acids derived from protein degradation

    International Nuclear Information System (INIS)

    Smith, C.B.; Deibler, G.E.; Eng, N.; Schmidt, K.; Sokoloff, L.

    1988-01-01

    A quantitative autoradiographic method for the determination of local rates of protein synthesis in brain in vivo is being developed. The method employs L-[1- 14 C]leucine as the radiolabeled tracer. A comprehensive model has been designed that takes into account intracellular and extracellular spaces, intracellular compartmentation of leucine, and the possibility of recycling of unlabeled leucine derived from steady-state degradation of protein into the precursor pool for protein synthesis. We have evaluated the degree of recycling by measuring the ratio of the steady-state precursor pool distribution space for labeled leucine to that of unlabeled leucine. The values obtained were 0.58 in whole brain and 0.47 in liver. These results indicate that there is significant recycling of unlabeled amino acids derived from steady-state protein degradation in both tissues. Any method for the determination of rates of cerebral protein synthesis in vivo with labeled tracers that depends on estimation of precursor pool specific activity in tissue from measurements in plasma must take this recycling into account

  8. Enantioselective synthesis of the novel chiral sulfoxide derivative as a glycogen synthase kinase 3beta inhibitor.

    Science.gov (United States)

    Saitoh, Morihisa; Kunitomo, Jun; Kimura, Eiji; Yamano, Toru; Itoh, Fumio; Kori, Masakuni

    2010-09-01

    Glycogen synthase kinase 3beta (GSK-3beta) inhibitors are expected to be attractive therapeutic agents for the treatment of Alzheimer's disease (AD). Recently we discovered sulfoxides (S)-1 as a novel GSK-3beta inhibitor having in vivo efficacy. We investigated practical asymmetric preparation methods for the scale-up synthesis of (S)-1. The highly enantioselective synthesis of (S)-1 (94% ee) was achieved by titanium-mediated oxidation with D-(-)-diethyl tartrate on gram scale.

  9. Effect of CuO receptor on the liquid yield and composition of oils derived from liquefaction of coals by microwave energy

    International Nuclear Information System (INIS)

    Yagmur, Emine; Simsek, Emir H.; Aktas, Zeki; Togrul, Taner

    2008-01-01

    The effects of microwave receptor to coal (receptor/coal) ratio and the period of heating by microwave energy on the solubilization of Turkish coals in tetralin have been investigated. CuO was used as microwave receptor. The amount of receptor and the type of coal significantly affected the yield of liquid product. The addition of the CuO receptor caused to increase in the lignite conversions to oil fractions. The yield of THF soluble fraction increased in the presence of CuO receptor, however, due to catalytic effect of CuO, the yields of preasphaltene (PAS) and asphaltene (AS) decreased. The oil fractions were obtained from the experiments treated by microwave energy in the presence of 3/5 CuO/coal ratio and in the absence of receptor for 20 min liquefaction periods. The compositions of the oil fractions were determined by GC/MS. The composition of the oil fractions of the coals strongly depends on the type of coal. It was observed that the oil fractions contain oxygenated aromatic compounds in addition to condensed aromatic structures. Considerable amounts of 3,4-dihydro-1(2H)-naphthalenone (alpha-tetralone) were found in the oil fractions of lignites treated by microwave energy

  10. Synthesis of Some New 1,3,4-Thiadiazole, Thiazole and Pyridine Derivatives Containing 1,2,3-Triazole Moiety

    Directory of Open Access Journals (Sweden)

    Nadia A. Abdelriheem

    2017-02-01

    Full Text Available In this study, 1-(5-Methyl-1-(p-tolyl-1H-1,2,3-triazol-4-ylethan-1-one, was reacted with Thiosemicarbazide, alkyl carbodithioate and benzaldehyde to give thiosemicarbazone, alkylidenehydrazinecarbodithioate and 3-phenylprop-2-en-1-one-1,2,3-triazole derivatives. The 1,3,4-thiadiazole derivatives containing the 1,2,3-triazole moiety were obtained via reaction of alkylidenecarbodithioate with hydrazonoyl halides. Also, hydrazonoyl halides were reacted with thiosemicarbazone and pyrazolylthioamide to give 1,3-thiazoles derivatives. Subsequently, 3-phenyl2-en-1-one was used to synthesize substituted pyridines and substituted nicotinic acid ester. The latter was converted to its azide compound which was reacted with aromatic amines and phenol to give substituted urea and phenylcarbamate containing 1,2,3-triazole moiety. The newly synthesized compounds were established by elemental analysis, spectral data and alternative synthesis whenever possible.

  11. Increasing Malonyl-CoA Derived Product through Controlling the Transcription Regulators of Phospholipid Synthesis in Saccharomyces cerevisiae.

    Science.gov (United States)

    Chen, Xiaoxu; Yang, Xiaoyu; Shen, Yu; Hou, Jin; Bao, Xiaoming

    2017-05-19

    Malonyl-CoA is a precursor of a variety of compounds such as polyketides and flavonoids. In Saccharomyces cerevisiae, malonyl-CoA concentration is tightly regulated and therefore maintained at a very low level, limiting the production of malonyl-CoA-derived chemicals. Here we manipulated the phospholipid synthesis transcriptional regulators to control the malonyl-CoA levels and increase the downstream product. Through manipulating different regulators including Ino2p, Ino4p, Opi1p, and a series of synthetic Ino2p variants, combining with studying the inositol and choline effect, the engineered strain achieved a 9-fold increase of the titer of malonyl-CoA-derived product 3-hydroxypropionic acid, which is among the highest improvement relative to previously reported strategies. Our study provides a new strategy to regulate malonyl-CoA availability and will contribute to the production of other highly valued malonyl-CoA-derived chemicals.

  12. One-pot synthesis and antiproliferative activity of novel double-modified derivatives of the polyether ionophore monensin A.

    Science.gov (United States)

    Klejborowska, Greta; Maj, Ewa; Wietrzyk, Joanna; Stefańska, Joanna; Huczyński, Adam

    2018-05-02

    Monensin A (MON) is a polyether ionophore antibiotic, which shows a wide spectrum of biological activity. New MON derivatives such as double-modified ester-carbonates and double-modified amide-carbonates were obtained by a new and efficient one-pot synthesis with triphosgene as the activating reagent and the respective alcohol or amine. All new derivatives were tested for their antiproliferative activity against two drug-sensitive (MES-SA, LoVo) and two drug-resistant (MES-SA/DX5, LoVo/DX) cancer cell lines, and were also studied for their antimicrobial activity against different Staphylococcus aureus and Staphylococcus epidermidis bacterial strains. For the first time, the activity of MON and its derivatives against MES-SA and MES-SA/DX5 were evaluated. © 2018 John Wiley & Sons A/S.

  13. The synthesis, structure-toxicity relationship of cisplatin derivatives for the mechanism research of cisplatin-induced nephrotoxicity.

    Science.gov (United States)

    Hu, Jing; Wu, Tian-Ming; Li, Hong-Ze; Zuo, Ze-Ping; Zhao, Ying-Lan; Yang, Li

    2017-08-01

    Cisplatin is a widely used antineoplastic drug, while its nephrotoxicity limits the clinical application. Although several mechanisms contributing to nephrotoxicity have been reported, the direct protein targets are unclear. Herein we reported the synthesis of 29 cisplatin derivatives and the structure-toxicity relationship (STR) of these compounds with MTT assay in human renal proximal tubule cells (HK-2) and pig kidney epithelial cells (LLC-PK1). To the best of our knowledge, this study represented the first report regarding the structure-toxicity relationship (STR) of cisplatin derivatives. The potency of biotin-pyridine conjugated derivative 3 met the requirement for target identification, and the preliminary chemical proteomics results suggested that it is a promising tool for further target identification of cisplatin-induced nephrotoxicity. Copyright © 2017. Published by Elsevier Ltd.

  14. Synthesis and antiproliferative activity of some A- and B modified D-homo lactone androstane derivatives

    Directory of Open Access Journals (Sweden)

    Savić Marina P.

    2013-01-01

    Full Text Available An efficient synthesis of several A- and B-modified D-homo lactone androstane derivatives from 3β-hydroxy-17-oxa-D-homoandrost-5-en-16-one (1 is reported. 17-Oxa-Dhomoandrost- 4-ene-3,16-dione (2, obtained by the Oppenauer oxidation of compound 1, was converted via the unstable intermediate 3,16-dioxo-4,17-dioxa-D-homoandrostane- 5α-carboxaldehyde (3 to 17-oxa-D-homo-3,5-seco-4-norandrostan-5-one-3-carboxylic acid (4, which was also obtained directly from compound 2. Compound 1 was acetylated to give 17-oxa-D-homoandrost-5-en-16-on-3β-yl acetate (5 which was then oxidized with chromium(VI-oxide in 50% acetic acid or with meta-chlorperbenzoic acid and chromium(VI-oxide to yield compounds 6-8 and 5α-hydroxy-17-oxa-D-homoandrostane- 6,16-dion-3β-yl acetate (9, respectively. The oximination of compound 9 gave a mixture of 6(E-hydroximino-5α-hydroxy-17-oxa-D-homoandrostan-16-on-3β-yl acetate (10 and 6(Z-hydroximino-5α-hydroxy-17-oxa-D-homoandrostan-16-on-3β-yl acetate (11, the hydrolysis of which gave 6(E-hydroximino-3β,5α-dihydroxy-17-oxa-D-homoandrostan- 16-one (12 and 6(Z-hydroximino-3β,5α-dihydroxy-17-oxa-D-homoandrostan-16-one (13. 6-Nitrile-17-oxa-5,6-seco-D-homoandrostane-5,16-dion-3β-yl acetate (14 was obtained under the Beckmann fragmentation of compounds 10 and 11. Only pure and stable compounds (1, 2, 4, 5, 9 and 14 were tested in vitro on six malignant cell lines (MCF-7, MDA-MB-231, PC-3, HeLa, HT-29, K562 and one non-tumor MRC-5 cell line. Significant antiproliferative activity against MDA-MB-231 cells showed compounds 1, 5 and 9, while compound 2 exhibited a strong antiproliferative activity. Only compound 14 showed weak antiproliferative activity against MCF-7 cells. All tested compounds were not toxic on MRC-5 cells, whereas Doxorubicin was highly toxic on these cells. [Projekat Ministarstva nauke Republike Srbije, br. 172021

  15. Synthesis of 1,4-naphthoquinone derivatives using 1,3-dipolar cycloaddition and Sonogashira reactions

    Directory of Open Access Journals (Sweden)

    Wilson Silva do Nascimento

    2010-04-01

    Full Text Available Naphthoquinones are known according to their important bio-activities, such as their antitumoral and topoisomerase inhibition properties. From 2-azido (3 or 2,3-diacetylene-1,4-naphthoquinone (4 it was possible to obtain triazole derivatives (naphthoquinonic. This work describes the synthesis of two novel molecules, with triazole groups linked to 1,4-naphthoquinone using the 1,3-dipolar cycloaddition and Sonogashira reactions. The synthetic strategy followed two routes (Scheme 1. First, we synthesized the 2-bromo-1,4-naphthoquinone (2, yield 98% by using Br2 and CH3CO2H, and then used it to obtain 2-azido-1,4-naphthoquinone (3, yield 62% from compound 1, along with ethanolic solution (reflux and NaN3. Finally, we prepared 1,2,3-triazole compounds (4a, b by 1,3-dipolar cycloaddition, involving compound (3 and terminal acetylenes (phenylacetylene, a and glycoside (b using Cu(OAc2 and ascorbate, under argon atmosphere. During the second step, 2,3-dibromo-1,4-naphthoquinone was prepared using Br2/CH2Cl2 at room temperature. From compound (5 it was possible to synthesize (6, catalyzed by Pd(PPh32Cl2/CuI/Et3N, under argon atmosphere, in 40% yield. The 1,3-dipolar cycloaddition reactions involving 2-azido-1,4-naphthoquinone (3 and alkynes (a, yield 23% and b, yield 30% were conducted using the solvent system, (1:1 terc-BuOH/H2O/r.t/ 20 mol% of Cu(OAc2 and sodium ascorbate, under stirring during 24 hours. The reaction involving 2,3-dibromo-1,4-naphthoquinone (5, yield 65% and phenylacetylene was prepared using the solvent mixture (2:1 DMSO/CHCl3 and catalytic amount of CuI/Pd(PPh32Cl2. The final products were characterized by elemental analysis and spectrometric techniques (IR, NMR 1H and 13C. Two novel triazole compounds were synthesized from naphthoquinones by 1,3-dipolar cycloaddition from suitable 1,4-naphthoquinones obtained by Sonogashira couplings.

  16. Australian coal

    Energy Technology Data Exchange (ETDEWEB)

    1985-11-01

    Total export shipments of coal in Australia in the year ending June 30 1985 reached a record of 83.8 Mt. The export trade is expected to bring in an income of 4 billion Australian dollars in the current year making coal Australia's biggest revenue-earning export commodity. This article presents a brief overview of the Australian coal industry with production and export statistics and information on major open pit and underground mines.

  17. Second row transition metal sulfides for the hydrotreatment of coal-derived naphtha. 1. Catalyst preparation, characterization and comparison of rate of simultaneous removal of total sulfur, nitrogen and oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Raje, A.P.; Liaw, S.-J.; Srinivasan, R.; Davis, B.H. [University of Kentucky, Lexington, KY (United States). Center for Applied Energy Research

    1997-03-13

    Naphtha derived from an Illinois No. 6 coal contains appreciable quantities of sulfur-, nitrogen- and oxygen-containing compounds. The hydrotreatment of this naphtha was evaluated over unsupported transition metal sulfide catalysts (Ru, Rh, Mo, Pd, Zr, Mb). The catalysts were prepared by a room temperature precipitation reaction. Surface areas, crystalline phase and particle size distributions were determined by Brunauer-Emmet-Teller (BET), X-ray diffraction (XRD) and transmission electron microscopy (TEM), respectively. A comparison of average particle sizes calculated from these three techniques has enable the understanding of the morphology of the transition metal sulfides. The catalysts exhibit a so-called volcano plot for the HDS of dibenzothiophene. Similar so-called volcano plots are also exhibited for the simultaneous hydrodesulfurization (HDS), hydrodenitrogenation (HDN) and the hydrodeoxygenation (HDO) of the coal-derived naphtha containing a mixture of heteroatoms. The order of reactivity of the transition metal catalysts is the same for all three of the processes. Ruthenium sulfide is the most active catalyst for HDS, HDN and HDO of the coal-derived naphtha. 22 refs., 3 figs., 4 tabs.

  18. Coal - 96

    International Nuclear Information System (INIS)

    Sparre, C.

    1996-09-01

    The report deals mainly with coal consumption, but also gives some information about technology, environmental aspects and markets. Data have been collected by questionnaires or via telephone. The use of steam coal for heating was 0.8 Mtons (down 20% from 1994). Cogeneration plants were the main users. Taxes and environmental reasons cause a reduction of the coal use that will probably continue the next years. Use of steam coal in industry has been constant at a level of 0.7 Mtons. The import of metallurgical coal rests constant at a level of 1.6 Mtons. 1.2 Mtons of coke was produced, and 0.3 Mtons imported. The PFBC-plant at Vaertan, Stockholm used 0.13 Mtons of coal, while some coal fired power plants have been converted to peat and wood fuels. The average price of steam coal imported to Sweden in 1995 was 333 SEK/ton, 6% higher than in 1994. The contract prices for delivery 1996 are about the same as at the end of 1995. All cogeneration plants have some sort of SO 2 removal system, mostly wet-dry. The largest plant, at Vaesteraas, has recently invested in a SCR system for NO x removal. Most other plants are using low NO x burners or SNCR systems, based on ammonia or urea, which reduce the emissions 50 - 70%. Some statistic about the world coal market is also given in the report

  19. Venezuelan coal

    International Nuclear Information System (INIS)

    Vazquez, L.U.

    1991-01-01

    The existence of coal deposits in Venezuela has been known since the early nineteenth century, when the Naricual Mines were discovered in the State of Anzoategui Eastern Venezuela. Through the years the Venezuelan coal business had its ups and downs, but it was not until 1988 that we could properly say that our coal began to play a role in the international market. This paper reports that it is only now, in the nineties, that Venezuelan coal projects have come under a planning, promotional and developmental policy preparing the ground for the great projects Venezuela will have in the not-too-distant future

  20. N-terminally truncated GADD34 proteins are convenient translation enhancers in a human cell-derived in vitro protein synthesis system.

    Science.gov (United States)

    Mikami, Satoshi; Kobayashi, Tominari; Machida, Kodai; Masutani, Mamiko; Yokoyama, Shigeyuki; Imataka, Hiroaki

    2010-07-01

    Human cell-derived in vitro protein synthesis systems are useful for the production of recombinant proteins. Productivity can be increased by supplementation with GADD34, a protein that is difficult to express in and purify from E. coli. Deletion of the N-terminal 120 or 240 amino acids of GADD34 improves recovery of this protein from E. coli without compromising its ability to boost protein synthesis in an in vitro protein synthesis system. The use of N-terminally truncated GADD34 proteins in place of full-length GADD34 should improve the utility of human cell-based cell-free protein synthesis systems.