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  • 1.
    Jullian, Carolina
    et al.
    Departamento de Química Orgánica y Fisicoquímica, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile.
    Morales, Javier O.
    Departamento de Química Orgánica y Fisicoquímica, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile.
    Zapata-Torres, Gerald
    Departamento de Química Inorgánica y Analítica, Facultad de de Ciencias Químicas y Farmacéuticas, Universidad de Chile.
    Aguilera, Benjamín
    Departamento de Química Inorgánica y Analítica, Facultad de de Ciencias Químicas y Farmacéuticas, Universidad de Chile.
    Rodriguez, Jorge
    Departamento de Química Inorgánica y Analítica, Facultad de de Ciencias Químicas y Farmacéuticas, Universidad de Chile.
    Arán, Vicente
    Instituto de Química Médica, CSIC.
    Olea-Azar, Claudio
    Departamento de Química Inorgánica y Analítica, Facultad de de Ciencias Químicas y Farmacéuticas, Universidad de Chile.
    Characterization, phase-solubility, and molecular modeling of inclusion complex of 5-nitroindazole derivative with cyclodextrins.2008In: Bioorganic & Medicinal Chemistry, ISSN 0968-0896, E-ISSN 1464-3391, Vol. 16, no 9, p. 5078-5084Article in journal (Refereed)
    Abstract [en]

    The slightly water-soluble 5-nitroindazole derivative (5-NI) and its inclusion with either beta-cyclodextrin (betaCD) or Heptakis (2,6-di-O-methyl)-beta-cyclodextrin (DMbetaCD) were investigated. The stoichiometric ratios and stability constants describing the extent of formation of the complexes were determined by phase-solubility measurements obtaining type-A(L) diagrams in both cases. According to the continuous variation method (Job's plot) a 1:1 stoichiometry has been proposed for the complexes. Also electrochemical studies were carried out on both CDs complexes, where the observed change in the E(PC) value for DMbetaCD indicated a lower feasibility of the nitro group reduction. The detailed spatial configuration is proposed based on two-dimensional NMR methods. These results are further interpreted using molecular modeling studies. The latter results are in good agreement with the experimental data.

  • 2.
    Lundberg, Johan
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Impact of increased production on TOC to the Waste Water Treatment Plant: Piteå 7502017Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
    Abstract [en]

    Today there are strict demands regarding emissions to water and air from the Swedish industries. This degree project, conducted at Smurfit Kappa Piteå, will focus on the emissions of organic material in waste water from the paper mill. The overall goal was through dynamic simulations predict the Total Organic Carbon (TOC) emissions from the paper mill at the time a foreseen increase of production is implemented. The recovery boiler is currently a bottleneck in the process and the production of sulphate pulp has today its maximum capacity. This means that production growth will occur exclusively by increasing the intake of recycled fiber. The work started with a comprehensive mapping of TOC, in which ingoing pulps in pulp towers, head boxes and effluent flows were mapped. This was done over a period of two weeks and thus covered a whole production cycle. A TOC method evaluation was conducted where the most suitable analysis method was determined.

    Mapped data were thereupon evaluated and significant variables were identified. It was determined that use of recycled fiber was the single most important variable to TOC load from paper machine 1 (PM1), but also starch addition to paper machine 2 (PM2) was found to be significant.

    The work then continued with the simulation phase, consisting of two main parts. The first part consisted of preparatory work where the model was developed to be able to accurately measure TOC load to the waste water treatment plant. This part also included work to identify necessary process changes as a result of an increased production. The second part consisted of the simulation. Three different scenarios were simulated for each paper machine plus two scenarios for the recycled fiber plant. The dynamic simulation model was successively calibrated with respect to TOC concentration and trends followed the ones expected by experience. In the production increase scenario simulated, TOC load distribution between PM1, PM2 and recycled fiber plant will more evenly distributed compared to current production. The largest increase of TOC load will come from the recycled fiber plant, which according to the simulation will increase with about 30 %.

  • 3.
    Papp, Mate
    et al.
    University of Pannonia, Institute of Chemistry, Department of Organic Chemistry, Hungary.
    Szabó, Péter
    University of Pannonia, Institute of Chemistry, Department of Analytical Chemistry, Hungary.
    Sranko, David
    Hungarian Academy of Sciences, Centre for Energy Research, Department of Surface Chemistry and Catalysis, Hungary.
    Skoda-Földes, R.
    University of Pannonia, Institute of Chemistry, Department of Organic Chemistry, Hungary.
    Solvent-free aminocarbonylation of iodobenzene in the presence of SILP-palladium catalysts2016In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 6, no 51, p. 45349-45356Article in journal (Refereed)
    Abstract [en]

    Heterogeneous palladium catalysts were prepared by the immobilisation of palladium on supported ionic liquid phases (SILP) obtained by physisorption or grafting. They were characterised by different techniques such as 13C CP MAS NMR, 31P CP MAS NMR, FT-IR, XPS and ICP. The catalysts were used efficiently under solvent-free conditions. They led to the formation of amide products with good to excellent selectivity. Recyclability at 5–10 bar CO pressure has also been demonstrated. The same reusable catalysts were proved to lead to the selective formation of double carbonylation products under higher pressure in DMF.

  • 4.
    Urbán, Béla
    et al.
    University of Pannonia, Institute of Chemistry, Department of Organic Chemistry, Egyetem u, Hungary.
    Szabó, Péter
    University of Pannonia, Institute of Chemistry, Department of Analytical Chemistry, Egyetem u, Hungary.
    Srankó, Dávid
    Hungarian Academy of Sciences, Centre for Energy Research, Department of Surface Chemistry and Catalysis, Hungary.
    Sáfrán, György
    Hungarian Academy of Sciences, Research Institute for Technical Physics and Materials Science, Hungary.
    Kollár, László
    University of Pécs, Department of Inorganic Chemistry and MTA-PTE Research Group for Selective Chemical Syntheses, Hungary.
    Skoda-Földes, Rita
    University of Pannonia, Institute of Chemistry, Department of Organic Chemistry, Egyetem u, Hungary.
    Double carbonylation of iodoarenes in the presence of reusable palladium catalysts immobilised on supported phosphonium ionic liquid phases2018In: Molecular Catalysis, ISSN 2468-8231, Vol. 445, p. 195-205Article in journal (Refereed)
    Abstract [en]

    The first heterogeneous carbonylation reaction carried out with palladium catalysts immobilised on phosphonium ion modified silica supports is reported. The supported ionic liquid phases were characterised by solid state NMR and FT-IR measurements. The presence of the phosphonium ions on the surface made it possible to carry out double carbonylation in apolar toluene efficiently that resulted in reduced metal leaching. The introduction of dicationic moieties on the solid support has been proved to lead to a further increase in catalyst stability. The catalysts were proved to produce α-ketoamide products with excellent selectivity in the carbonylation of iodoarenes with aliphatic amines while monocarbonylation was the only reaction observed with aniline derivatives. The catalysts could be recycled and used in at least 10 subsequent runs under optimised conditions.

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