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  • 1.
    Abbrent, Sabina
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Lithium ion interactions in polymer gel electrolytes: Effect on structure, dynamics and morphology2000Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Polymer electrolytes are an essential part of the modern all-solid lithium battery. Several properties, such as mechanical and thermal stability, good ionic conductivity and compatibility with other materials used in the battery are necessary for a successful material.

    This thesis is focused on the ionic interactions in two electrolyte systems, based on a cross-linked polyethylene oxide (nona(ethylene oxide)dimethacrylate) or a fluorinated copolymer (polyvinylidene fluoride-hexafluoropropylene). Changes of thermal properties and morphology of and coordination in the electrolyte on addition of a lithium salt (LiTFSI) and different types and concentrations of solvents are studied. These properties are shown to control the ionic conductivity of the resulting material, influencing the conductivity mechanism.

    The presumably inert polyvinylidene fluoride is shown to undergo large structural changes, where polar conformations of the polymer backbone appear on salt addition, inducing a different crystalline phase. The lithium cation in the polyethylene oxide based electrolyte can coordinate either to the polymer chain or to the solvent. In for example systems containing propylene carbonate, the lithium ion binds more strongly to the polymer than to the solvent. This is in contrast to the systems with dimethyl sulphoxide where the ion prefers the solvent. This variation in coordination also strongly affects the mobility of the cation, reflected both in diffusion constants and in conductivity data.

    A combination of techniques was necessary to use for a deeper understanding of these complex materials. Coordination has been studied by FTIR and high resolution NMR, dynamics by NMR diffusion measurements and impedance spectroscopy, and morphology by diffraction techniques and DSC.

  • 2.
    Abrahamsson, Maria
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, För teknisk-naturvetenskapliga fakulteten gemensamma enheter, Accelerator mass spectrometry group. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Physical Chemistry.
    Wolpher, Henriette
    Johansson, Olof
    Larsson, Jan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Physical Chemistry.
    Kritikos, Mikael
    Eriksson, Lars
    Norrby, Per-Ola
    Bergquist, Jonas
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Sun, Licheng
    Åkermark, Björn
    Hammarström, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Physical Chemistry.
    A New Strategy for the Improvement of Photophysical Properties in Ruthenium(II) Polypyridyl Complexes: Synthesis and Photophysical and Electrochemical Characterization of Six Mononuclear Ruthenium(II) Bisterpyridine-Type Complexes2005In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 44, no 9, p. 3215-3225Article in journal (Refereed)
  • 3.
    Agback, M
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry. Kvantkemi.
    Lunell, S
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
    Hussenius, A
    Department of Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
    Matsson, O
    Department of Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
    Theoretical studies of proton transfer reactions in 1-methylindene1998In: ACTA CHEMICA SCANDINAVICA, ISSN 0904-213X, Vol. 52, no 5, p. 541-548Article in journal (Refereed)
    Abstract [en]

    The base-catalysed 1,3-proton transfer reactions in 1-methylindene have been studied theoretically in polar (water) and unpolar (cyclohexane) solvents, respectively, for two different choices of bases, namely ammonia and trimethylamine (TMA), using the SM

  • 4.
    Aggeryd, Ingrid
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Bestämning av Substitutionsgraden hos Natrium-karboxymetylcellulosa, CMC: En tillämpning av den utvidgade Henderson-Hasselbalchs ekvation och simplex-optimering för bestämning av ekvivalensvolymer vid potentiometrisk titrering1984Licentiate thesis, monograph (Other academic)
  • 5.
    Ahlgren, Joakim
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Tranvik, Lars
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Ecology and Evolution, Limnology.
    Gogoll, Adolf
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Waldebäck, Monica
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Markides, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Rydin, Emil
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Ecology and Evolution, Limnology.
    Sediment Depth Attenuation of Biogenic Phosphorus Compounds Measured by 31P NMR2005In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 39, no 3, p. 867-872Article in journal (Refereed)
    Abstract [en]

    Being a major cause of eutrophication and subsequent loss of water quality, the turnover of phosphorus (P) in lake sediments is in need of deeper understanding. A major part of the flux of P to eutrophic lake sediments is organically bound or of biogenic origin. This P is incorporated in a poorly described mixture of autochthonous and allochthonous sediment and forms the primary storage of P available for recycling to the water column, thus regulating lake trophic status. To identify and quantify biogenic sediment P and assess its lability, we analyzed sediment cores from Lake Erken, Sweden, using traditional P fractionation, and in parallel, NaOH extracts were analyzed using 31P NMR. The surface sediments contain orthophosphates (ortho-P) and pyrophosphates (pyro-P), as well as phosphate mono- and diesters. The first group of compounds to disappear with increased sediment depth is pyrophosphate, followed by a steady decline of the different ester compounds. Estimated half-life times of these compound groups are about 10 yr for pyrophosphate and 2 decades for mono- and diesters. Probably, these compounds will be mineralized to ortho-P and is thus potentially available for recycling to the water column, supporting further growth of phytoplankton. In conclusion, 31P NMR is a useful tool to asses the bioavailability of certain P compound groups, and the combination with traditional fractionation techniques makes quantification possible.

  • 6.
    Alexander, James N.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Novel detection schemes and high resolution separations in microcolumn liquid separations1999Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Three micro detectors were developed and studied using micro-liquidchromatography (micro-LC). An evaporative light scattering detector (ELSD) nebulizer was developed for use with flow rates ranging from 0.5 to 10 µL/min. The parameters that affect analyte response were investigated and the most influential were capillary tip position and nebulization gas flow rate. One unique advantage of thismicro detector is that it can be operated at ambient conditions which allows for the analysis of semi-volatile compounds.

    A radio activity monitor (RAM) flow cell was developed for use at 3 µL/min and was designed for coupling to mass spectrometry (MS). The parameters that affect analyte response and band broadening were studied. Reducing the solid scintillant particle size to 9 µm and efficiently packing the solid cells allowed for direct coupling to MS without compromising the chromatographic separation.

    A nano-electrospray ionization (BSI) source for MS was developed and coupled to nano-LC and capillary electrophoresis (CE). This source incorporated a 50 µm i.d. stainless steel tip that was coupled to the separation capillary. At flow rates of 100 nL/min a stable electrospray was achieved.

    A multi-use separations system was developed for isocratic and gradient elution micro-LC, capillary electrochromatography (CEC), and pressure CEC (PEC). The details of the system and studies on peak area and retention time repeatability are reported. Comparisons are made between nano-LC and CEC. On average, column efficiency is 57% greater for CEC compared to nano-LC using the same nanocolumn.

  • 7.
    Alfredsson, Maria
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Polar molecules in crystalline and surface environments: From first principles1999Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    With the knowledge of the composition and structure of a chemical system, be it a molecule, a two-dimensional surface or a three-dimensional crystal, it is now possible to predict the specific properties of the compound under consideration via computational studies. Molecular and periodic Hartree-Fock and DFT calculations have been used as a tool to study polar molecules and how their properties respond to the molecular environment in a crystal or on an ionic surface. The investigation covers a range of molecules (HF, HC1, HCN, H2O, OH-, OH., N2, CO and LiF) with different net charges, dipole moments and polarisibility, and a range of crystals and crystalline surfaces: hydrogen-bonded, ionic and ferroelectric.

    The step-wise build up of the molecular properties (geometries, energies, dipole moments, vibrational frequencies etc.) has been investigated. It was found that sorne molecular properties converge quickly towards the crystal value, others more slowly. Molecules adsorbed on a solid surface were studied as a function of adsorptionenergy, substrate and surface coverage. For the ionic surfaces studied here it was found that the properties of the chemi- and physisorbed molecules are as sensitive to the surface coverage as to the adsorption of the ad-molecule to the surface. The vibrational frequency shift of the ad-molecule has been given special attention.

    Finally the spontaneous polarisation in two ferroelectric crystals was calculated within the Berry-phase approach.

  • 8. Alonso, Diego
    et al.
    Andersson, Pher
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Deprotection of Sulfonyl Aziridines1998In: J. Org. Chem., no 63, p. 9455-9461Article in journal (Refereed)
  • 9. Alonso, Diego
    et al.
    Bertilsson, Sophie
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Johnsson, Sandra
    Nordin, Sofia
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Södergren, Mikael
    Andersson, Pher
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    New Expedient Route to Both Enantiomers of Nonproteinogenic a-Amino Acid Derivatives from the Unsaturated 2-Aza-Bicyclo Moiety1999In: J. Org. Chem., no 64, p. 2276-2280Article in journal (Refereed)
  • 10. Alonso, Diego
    et al.
    Brandt, Peter
    Nordin, Sofia
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Andersson, Pher
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Ru(arene)(amino alcohol)-Catalyzed Transfer Hydrogenation of Ketones: Mechanism and Origin of Enantioselectivity1999In: J. Am. Chem. Soc., no 121, p. 9580-9588Article in journal (Refereed)
    Abstract
  • 11. Alonso, Diego
    et al.
    Guijarro, David
    Pinho, Pedro
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Temme, Oliver
    Andersson, Pher
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    (1S,3R,4R)-2-Azanorbornylmethanol, an Efficient Ligand for Ruthenium-Catalyzed Asymmetric Transfer Hydrogenation of Ketones1998In: J. Org. Chem., no 63, p. 2749-2751Article in journal (Refereed)
  • 12.
    Amirkhani, A.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Heldin, E.
    Markides, K.E.
    Bergquist, J.
    Quantitation of tryptophan, kynurenine and kynurenic acid in human plasma by capillary liquid chromatography - electrospray ionization tandem mass spectrometry2002In: J. of Chromatography B, no 780, p. 381-387Article in journal (Refereed)
  • 13.
    Amirkhani, Ardeshir
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Development of Techniques and Methods for the Quantitative Analysis of Endogenous Substances by Microcolumn Liquid Chromatography Coupled to Mass Spectrometry2004Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Liquid chromatography-mass spectrometry (LC-MS) is a powerful technique for the analysis of endogenous compounds. The introduction of electrospray ionization (ESI) as an interface between LC and MS has contributed strongly to a trend towards miniaturization of LC, due to the possibility to perform ESI at low flow rates. In this thesis, several aspects regarding the design of miniaturized LC systems and electrospray emitters were investigated. In addition miniaturized LC-ESI-MS have been used for the qualitative and quantitative analysis of endogenous polar compounds, peptides and protein digests.

    The performance of miniaturized LC-MS was compared using different electrospray emitter configurations. The results indicated that the efficiency of the LC system is rather independent of the configuration of the emitter.

    The lifetime of gold-coated fused silica electrospray emitters based on vapor deposited adhesion layers of titanium were investigated. The long lifetime of the emitter facilitates the use in LC-MS experiments, exemplified LC-MS by analysis of neuropeptides.

    The ESI voltage is shown to interfere with liquid chromatographic separations performed in packed porous graphitic carbon capillary column. This interference is ascribed to the presence of an electric field over the conductive column in absence of a ground point between the column and the ESI emitter.

    The solid supported enhanced microdialysis for analysis of neuropeptides were compared with conventional microdialysis. The difference between the two methodologies were evaluated by LC-MS analysis of the microdialysates. The solid supported method gave in general higher relative recoveries.

    Finally, a method of standard addition was developed to determine total level of tryptophan and two of its metabolites in human plasma by capillary LC-ESI tandem mass spectrometry. The method was applied in a clinical study of multiple scleroses patients treated with cytokines (IFN Beta 1a, 1b). The results show that the intervention effects the tryptophan metabolism.

    List of papers
    1. Comparison between different sheathless electrospray emitter configurations regarding the performance of nanoscale liquid chromatography time-of-flight mass spectrometry analysis
    Open this publication in new window or tab >>Comparison between different sheathless electrospray emitter configurations regarding the performance of nanoscale liquid chromatography time-of-flight mass spectrometry analysis
    Show others...
    2004 (English)In: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1033, no 2, p. 257-266Article in journal (Refereed) Published
    Abstract [en]

    Four different sheathless electrospray ionization (ESI) configurations were investigated for a nano liquid chromatography (LC) system. The studied configurations were: a column with an integrated emitter, with the ESI potential applied before or after the column, and a column with separate emitter, with the ESI voltage applied at a union before the emitter or at the emitter tip. The results indicates that the efficiency of the LC system is rather independent of the configuration when using 95 μm i.d. columns, acetic mobile phase and standard peptides as a sample. Introduction of post column dead volume seems not to be a critical issue at least with flow rates down to 600 nl/min.

    Keywords
    Electrospray ionization, Band broadening, Principal component analysis, Instrumentation, Peptides
    National Category
    Chemical Sciences
    Identifiers
    urn:nbn:se:uu:diva-91889 (URN)10.1016/j.chroma.2004.01.063 (DOI)
    Available from: 2004-05-25 Created: 2004-05-25 Last updated: 2017-12-14Bibliographically approved
    2. Gold-coated fused-silica sheathless electrospray emitters based on vapor-deposited titanium adhesion layers
    Open this publication in new window or tab >>Gold-coated fused-silica sheathless electrospray emitters based on vapor-deposited titanium adhesion layers
    Show others...
    2003 In: Rapid Communication Mass Spectrometry, Vol. 17, no 14, p. 1535-1540Article in journal (Refereed) Published
    Identifiers
    urn:nbn:se:uu:diva-91337 (URN)
    Available from: 2004-01-30 Created: 2004-01-30Bibliographically approved
    3. Interference of the electrospray voltage on chromatographic separations using porous graphitic carbon columns
    Open this publication in new window or tab >>Interference of the electrospray voltage on chromatographic separations using porous graphitic carbon columns
    Show others...
    2004 (English)In: Journal of Mass Spectrometry, ISSN 1076-5174, E-ISSN 1096-9888, Vol. 39, no 2, p. 216-222Article in journal (Refereed) Published
    Abstract [en]

    The electrospray ionization (ESI) voltage is shown to interfere with liquid chromatographic separations performed with packed porous graphitic carbon (PGC) capillary columns. This interference is ascribed to the presence of an electric field over the conductive column in the absence of an earth point between the column and the ESI emitter. The current evolved alters the chromatographic behavior of the catecholamine metabolite 3-O-methyl-DOPA significantly, as both peak splitting and a dramatic decrease in the retention time were observed. Furthermore, the response from the mass spectrometer was decreased by 33% at the same time. A related compound, tyrosine, exhibited decreased retention times but no peak splitting, whereas no shifts in the retention times (or peak splitting) were seen for the less retained dopamine and noradrenaline. When the current through the PGC column was eliminated by the use of an earth point between the column and the ESI emitter, the chromatographic behavior of the column was found to return slowly to normal after hours of equilibration with 60 : 40 (v/v) methanol-ammonium formate buffer of pH 2.9. The behavior of the PGC column with and without the earth point was found to be highly reproducible during a period of 1 month. We propose that the effect of the ESI voltage on the chromatographic behavior of the PGC column is due to associated redox reactions affecting both the PGC particles and the analytes. It is concluded that (for analytical reasons), care should be taken to ensure that no current is flowing through the chromatographic system when interfacing PGC columns, and conducting parts in general, to ESI mass spectrometry.

    Keywords
    catecholamine, dopamine, electrochemistry, porous graphitic carbon, electrospray, mass spectrometry, liquid chromatography
    National Category
    Inorganic Chemistry
    Identifiers
    urn:nbn:se:uu:diva-91888 (URN)10.1002/jms.589 (DOI)
    Available from: 2004-05-25 Created: 2004-05-25 Last updated: 2017-12-14Bibliographically approved
    4. A feasibility study of solid supported enhanced microdialysis
    Open this publication in new window or tab >>A feasibility study of solid supported enhanced microdialysis
    Show others...
    2004 (English)In: Analytical Chemistry, ISSN 0003-2700, E-ISSN 1520-6882, Vol. 76, no 6, p. 1678-1682Article in journal (Refereed) Published
    Abstract [en]

    For the first time, a solid supported enhanced microdialysis methodology for analysis of neuropeptides is described. The microdialysis samples were, in this study, subsequently collected in fractions, dissolved from the solid particles, dried, and resolved in a formic acid buffer in order to make them suitable for capillary liquid chromatography-mass spectrometry. Different microdialysis flow profiles were evaluated where air-gapped continuous flow was considered most suitable for the solid supported microdialysis mode. Six endogenous neuropeptides were initially used to investigate the feasibility of this enhanced microdialysis methodology. The improved relative recovery obtained from the solid supported enhanced microdialysis was varying from no effect to 10 times higher as compared to ordinary microdialysis. The most efficient enrichment was obtained for luteinizing hormone releasing hormone, which was the largest but also the most hydrophilic of the peptides. In contrast, no significant difference in recovery was observed for Leu-enkephalin being the smallest and the most hydrophobic peptide tested. These results indicate an increased flux and selective uptake of hydrophilic peptides across the membrane and enrichment on the particles in solid supported microdialysis.

    National Category
    Natural Sciences
    Identifiers
    urn:nbn:se:uu:diva-93181 (URN)10.1021/ac035305l (DOI)15018567 (PubMedID)
    Available from: 2005-05-10 Created: 2005-05-10 Last updated: 2017-12-14Bibliographically approved
    5. Quantitation of tryptophan, kynurenine and kynurenic acid in human plasma by capillary liquid chromatography - electrospray
    Open this publication in new window or tab >>Quantitation of tryptophan, kynurenine and kynurenic acid in human plasma by capillary liquid chromatography - electrospray
    2002 In: Journal of Chromatography B, Vol. 780, no 2, p. 381-387Article in journal (Refereed) Published
    Identifiers
    urn:nbn:se:uu:diva-91340 (URN)
    Available from: 2004-01-30 Created: 2004-01-30 Last updated: 2011-03-21
    6. Beta-interferon effects the tryptophan metabolism in the plasma of multiple sclerosis patients
    Open this publication in new window or tab >>Beta-interferon effects the tryptophan metabolism in the plasma of multiple sclerosis patients
    Show others...
    Manuscript (Other academic)
    Identifiers
    urn:nbn:se:uu:diva-91341 (URN)
    Available from: 2004-01-30 Created: 2004-01-30 Last updated: 2011-03-21
  • 14.
    Amirkhani, Ardeshir
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Wetterhall, Magnus
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Nilsson, Stefan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Danielsson, Rolf
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Bergquist, Jonas
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Comparison between different sheathless electrospray emitter configurations regarding the performance of nanoscale liquid chromatography time-of-flight mass spectrometry analysis2004In: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1033, no 2, p. 257-266Article in journal (Refereed)
    Abstract [en]

    Four different sheathless electrospray ionization (ESI) configurations were investigated for a nano liquid chromatography (LC) system. The studied configurations were: a column with an integrated emitter, with the ESI potential applied before or after the column, and a column with separate emitter, with the ESI voltage applied at a union before the emitter or at the emitter tip. The results indicates that the efficiency of the LC system is rather independent of the configuration when using 95 μm i.d. columns, acetic mobile phase and standard peptides as a sample. Introduction of post column dead volume seems not to be a critical issue at least with flow rates down to 600 nl/min.

  • 15.
    Andersson, Anna S.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Lithium iron phosphates as cathode materials in lithium batteries2000Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Iron-based oxides are perhaps the only realistic cathode materials for electric and electric-hybrid vehicle applications. Two types of lithium iron phosphate, LiFePO4 andR-Li3Fe2(PO4)3, have been investigated for use within the lithium/lithium-ion polymer batteryconcept. The main techniques exploited have been: electrochemical cycling; X-ray andneutron diffraction - to study structural changes of the host material during lithiuminsertion/extraction; Mössbauer spectroscopy - to probe changes in the local structure of theFe atoms.

    Lithium extraction/insertion for LiFePO4, (olivine-type structure) has been followed by acombination of in situ X-ray diffraction and in situ Mössbauer spectroscopy. QuantitativeRietveld analysis of diffraction data has given good agreement with electrochemical andMössbauer spectroscopy data: ca. 20% of the LiFePO4 phase remains after charging. Possiblemechanisms to describe the capacity loss are proposed. High-temperature cycling (at 40oC and60oC) has shown the specific capacity to be markedly enhanced at higher temperatures.

    In situ Mössbauer spectroscopy has also been used to study the insertion of lithium into R-Li3Fe2(PO4)3. The two non-equivalent Fe3+ ions cannot be distinguished, whereas two typesof Fe2+ site appear on lithium insertion. Lithium appears to enter a site closer to one of theFe atoms. Elevated-temperature cycling shows the temperature dependence of R-Li3Fe2(PO4)3to be less marked than for the LiFePO4 system.

    The magnetic properties of R-Li3Fe2(PO4)3 have been investigated for the first time: a para- to antiferromagnetic transition is seen at 28 ~ K. Neutron powder diffraction shows that the Fe magnetic dipoles lie close to the ab-plane and are ferromagnetically aligned within an Fesheet perpendicular to the c-axis, but are antiferromagnetically coupled to adjacent sheets.

  • 16.
    Andersson, P.G.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Development of New Methodology for th Preparation of Optically Active Alcohols2004In: Pure Appl. Chem., no 76, p. 547-Article in journal (Refereed)
  • 17.
    Andersson, Pher
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    On the Stereochemical Outcome of the McMurry Coupling of Acetophenone. A Reinvestigation1994In: Tetrahedron Letters, Vol. 35, no 16, p. 2609-2610Article in journal (Refereed)
  • 18.
    Andersson, Pher
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Regio- and Stereoselective Deuteration of Allylic Chlorides Controlled by Neighboring Alcohol or Ether Groups1996In: J. Org. Chem., no 61, p. 4154-4156Article in journal (Refereed)
  • 19.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Aranyos, Attila
    Palladium-Mediated Stereo- and Regioselective Tandem-Cyclization-Carbonylations of 1,3-dienes1994In: Tetrahedron Letters, Vol. 35, no 25, p. 4441-4444Article in journal (Refereed)
  • 20.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Bäckvall, Jan-E.
    Palladium-Catalyzed Tandem Cyclization of 4,6- and 5,7-Diene Amides. A New Route towards the Pyrrolizidine and Indolizidine Alkaloids1992In: J. Am. Chem. Soc., Vol. 114, no 22, p. 8696-8698Article in journal (Refereed)
  • 21.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Bäckvall, Jan-E.
    Synthesis of Furanoid Terpenes via an Efficient Palladium-Catalyzed Cyclization of 4,6-Dienols1991In: J. Org. Chem., Vol. 56, no 18, p. 5349-5353Article in journal (Refereed)
  • 22.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Bäckvall, Jan-E.
    Synthesis of Heterocyclic Natural Products via Regio- and Stereocontrolled Palladium-Catalyzed Reactions1996In: Advances in Heterocyclic Natural Product Synthesis, JAI Press Inc, Greenwich , 1996, p. 179-215Chapter in book (Refereed)
  • 23.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Guijarro, David
    Tanner, David
    Preparation and Use of Aziridino Alcohols as Promoters for the Enantioselective Addition of Dialkylzinc Reagents to N-(Diphenylphosphinoyl) Imines1997In: J. Org. Chem., no 62, p. 7364-7375Article in journal (Refereed)
  • 24.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Guijarro, David
    Tanner, David
    Simple Aziridino Alcohols as Chiral Ligands. Enantioselective Additions of Diethylzinc to N-Diphenylphosphinoylimines1996In: Synlett, no 8, p. 727-728Article in journal (Refereed)
  • 25.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Harden, Adrian
    Tanner, David
    Norrby, Per-Ola
    Studies of Allylic Substitution Catalysed by a Palladium Complex of a C2-Symmetric Bis(aziridine): Preparation and NMR Spectroscopic Investigation of a Chiral n-Allyl Species1995In: Chem. Eur. J., no 1, p. 12-16Article in journal (Refereed)
  • 26.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Johansson, Fredrik
    Tanner, David
    Enantioselective Addition of Organolithium Reagents to Imines Mediated by C2-Symmetric Bis(aziridine) Ligands1998In: Tetrahedron, no 54, p. 11549-11566Article in journal (Refereed)
  • 27.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Nilsson, Ylva
    Bäckvall, Jan-E.
    Palladium-Catalyzed Oxaspirocyclizations1994In: Tetrahedron, Vol. 50, no 2, p. 559-572Article in journal (Refereed)
  • 28.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Schab, Szymon
    Mechanism of the Palladium-Catalyzed Elimination of Acetic Acid from Allylic Acetates1995In: Organometallics, Vol. 14, no 1, p. 1-Article in journal (Refereed)
  • 29.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Schink, Hans
    Österlund, Krister
    Asymmetric Total Synthesis of (+)-Tolterodine, a New Muscarinic Receptor Antagonist, via Copper-Assisted Asymmetric Conjugate Addition of Aryl Grignard Reagents to 3-Phenyl-prop-2-enoyl-oxazolidinones1998In: J. Org. Chem., no 63, p. 8067-8070Article in journal (Refereed)
  • 30.
    Andersson, Pher
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Sharpless, K. Barry
    A Dramatic Ligand Effect on the Relative Reactive Reactivites of Substituted Alkenes with Osmium Tetroxide1993In: J. Am. Chem. Soc., no 115, p. 7047-7048Article in journal (Refereed)
  • 31.
    Andersson, Örjan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry, Analytical Chemistry.
    Two Modified 2,3-Diamino-naphthalenes for Spectro-fluorimetric Determination of Selenium in Biological Samples1995Licentiate thesis, monograph (Other academic)
  • 32.
    Antoni G., Amschler H., Zech K., Långström B.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Synthesis of [18F]labelled roflumilast using difluoro[18F]bromo methane as alkylating agent2001In: Synthesis and Applications of Isotopically LabelledArticle in journal (Refereed)
  • 33.
    Antoni G., Ögren M., Långström B.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Enzymes as catalysts in labelling synthesis using short-lived radionuclides2001In: Synthesis and Applications of Isotopically LabelledArticle in journal (Refereed)
  • 34.
    Antoni, Gunnar
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Kihlberg, T.
    Långström, B.
    11C: Labelling chemistry and labelled compounds2003In: Handbook Chem03_0302, 2003, no 332, p. 119-165Chapter in book (Refereed)
  • 35.
    Antoni, Gunnar
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Långström, Bengt
    Asymmetric synthesis of L-2-amino[3-11C]butyric acid, L-[3-11C]norvaline and L-[3-11C]valine.1987In: Acta Chemica Scandinavica, ISSN 0904-213X, E-ISSN 1902-3103, Vol. B41, p. 511-Article in journal (Refereed)
  • 36.
    Antoni, Gunnar
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Långström, Bengt
    Synthesis of DL-11C-labelled alanine, 2-aminobutyric acid, norvaline, leucine and phenylalanine and preparation of L-[3-11C]alanine and L-[3-11C]phenylalanine.1987In: Journal of labelled compounds & radiopharmaceuticals, ISSN ISSN 0362-4803, EISSN 1099-1344, Vol. 24, p. 125-Article in journal (Refereed)
  • 37.
    Antoni, Gunnar
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Långström, Bengt
    Synthesis of DL-[3-11C]valine using [2-11C]isopropyl iodide and preparation of L-[3-11C]valine by treatment with D-amino acid oxidase.1987In: Int. J. Appl. Radiat. Isot., Vol. 38, p. 655-Article in journal (Refereed)
  • 38.
    Antoni, Gunnar
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Långström, Bengt
    Synthesis of gamma-amino[4-11C]butyric acid.1989In: Journal of labelled compounds & radiopharmaceuticals, ISSN 0362-4803, E-ISSN 1099-1344, Vol. 27, p. 571-Article in journal (Refereed)
  • 39.
    Antoni, Gunnar
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Ulin, Johan
    Långström, Bengt
    Synthesis of the 11C-labelled b-adrenargic receptor ligands atenolol, metoprolol and propranol.1989In: The international journal of applied radiation and isotopes, ISSN 0020-708X, E-ISSN 1878-1284, Vol. 40, p. 561-Article in journal (Refereed)
  • 40.
    Aranyos, Viviane
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Dyes and their adsorption onto nanocrystalline TiO2 electrodes: Synthesis, characterisation and applications2000Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    The syntheses of two type of dyes (phthalocyanine and ruthenium tris-bipyridyl) are presented here. Their characterisation involves the use of cyclic voltammetry, NMR- and UV-visible spectroscopy. Once adsorbed on nanocrystalline TiO2 electrodes, their electrochemical, spectroelectrochemical and photoelectrochemical properties were investigated.

    In the first part, the syntheses of aryl-substituted phthalocyanines are described. The key intermediate, an aryl-substituted phthalonitrile, was prepared by a Pd(0)-catalysed Stille-coupling. The physical properties of tetra-(2,5-dirnetoxyphenyl)phthalocyanine (1a), tetraphenylphthalocyanine (1b) are discussed, An interesting display behaviour was characterised by spectroelectrochemistry in the case of 1b. Considering the system, unexpectedly high efficiencies of the resulting solar cells are observed for both dyes.

    The second part deals with two types of ruthenium tris-bipyridyl complexes. Syntheses of three carboxylated heteroleptic ruthenium complexes [Ru(bpy)2(bpy-R)](PF6)2 (bpy-R, R= (COOLi)n, n= 1, 2, 4) were synthesised for a study of the influence of the number of carboxylic groups on solar cell efficiencies. A lateral electron transfer mechanism for the dyes adsorbed on TiO2, is observed. Homoleptic and heteroleptic ruthenium complexes possessing the polymerisable groups vinyl, methoxyphenyl or thiophene were prepared for an investigation of the substituent effect on the dye-monolayer in the solar cell, both by electrochemistry and absorption spectroscopy. The methoxyphenyl-substituted complexes showed good polymerisation behaviour both at negative and at positive potentials. They also showed good resistance towards water when adsorbed onto TiO2 electrodes.

  • 41.
    Arvidsson P., Frackenpohl J., Ryder N., Liechty B., Petersen F., Zimmermann H., Camenisch G., Woessner R., Seebach D.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    On the antimicrobial and hemolytic activities of amphiphilic B-peptides.2001In: ChemBioChem, no 2(10), p. 771-773Article in journal (Refereed)
  • 42.
    Arvidsson P., Ruepling M., Seebach D.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Design, machine synthesis, and NMR-solution structure of a B-heptapeptide forming a saltbridge stabilized 314-helix in methanol and in water2001In: Chemical Communications (Cambridge, U K), p. 649-650Article in journal (Refereed)
  • 43.
    Arvidsson, Per
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I.
    Frackenpohl, J
    Seebach, D
    Syntheses an CD-Spectroscopic Investigations of Longer-Chain B-Peptides: Preparation by Solid-Phase Couplings of Single Amino Acids, Dipeptides, and Tripeptides2003In: Helvetica Chemica Acta, no 86, p. 1552-1553Article in journal (Refereed)
  • 44.
    Arvidsson, Per
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry II.
    Ryder, N
    Weiss, M
    Gross, G
    Kretz, O
    Woessner, R
    Seebach, D
    Antibiotic and Hemolytic Activity of a B2/B3 Peptide Capable of Folding into a 12/10-Helical Secondary Structure2003In: ChemBioChem, no 4, p. 1345-1347Article in journal (Refereed)
  • 45.
    Arvidsson, Per
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry. Department of Biochemistry and Organic Chemistry, Organic Chemistry I. Organisk kemi.
    Ryder, Neil S.
    Weiss, H. Markus
    Hook, David F.
    Escalante, Jaime
    Seebach, Dieter
    Exploring the Antibacterial and Hemolytic Activity of Shorter- and Longer-Chain B-, a,B-, and y-Peptides, and of B-Peptides from B2-3-Aza- and B3-2-Methylidene-amino Acids Bearing Proteinogenic Side Chains - A Survey2005In: Chemistry & Biodiversity, Vol. 2, p. 401-420Article in journal (Refereed)
    Abstract [en]

    The antibacterial activities of 31 different b-, mixed a/B-, and y-peptides, as well as of B-peptides derived from B2-3-aza- and B3-2-methylidene-amino acids were assayed against six pathogens (Enterococcus faecails, STaphylococcus aureus, Streptococcus pneumoniae, Escherichia coli, Klebsiella pneumoniae, and Pseudomonas aeruginosa), and the results were compared with literature data. The interaction of these peptides with mammalian cells, as modeled by measuring the hemolysis of human erythrocytes, was also investigated. In addition to those peptides designed to fold into amphiphilic helical conformations with positive charges on one face of the helix, one new peptide with hemolytic activity was detected within the sample set. Moreover, it was demontrated that neither cationic peptides used for membrane translocation (B3-oligoarginines), nor mixeda/B- or y-peptides with somatostatin-mimicking activities display unwanted hemolytic activity.

  • 46.
    Aune, Marie
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Danielsson, Rolf
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Hussenius, Anita
    Uppsala University, Disciplinary Domain of Humanities and Social Sciences, Faculty of Arts, Centre for Gender Research. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Ryberg, Per
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Kristjansdottir, AG
    Uppsala University.
    Matsson, Olle
    Uppsala University.
    1,3-hydron transfer in some 5- or 7-substituted 1-methylindenes. Reaction rates and kinetic isotope effects1998In: Acta Chemica Scandinavica, ISSN 0904-213X, E-ISSN 1902-3103, Vol. 52, no 7, p. 911-920p. 911-920Article in journal (Refereed)
    Abstract [en]

    Rate constants and primary deuterium kinetic isotope effects (KIEs) have been determined for the base-catalysed 1,3-hydrotropic rearrangements of 1-methyl-5-nitroindene (12), 1-methyl-7-nitroindene (13), 5-methoxy-1-methylindene (14) and 5-fluoro-1-methy

  • 47.
    Aune, Marie
    et al.
    Uppsala University.
    Gogoll, Adolf
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Matsson, Olle
    Uppsala University.
    Solvent Dependence of Enantioselectivity for a Base Catalyzed 1,3-Hydron Transfer Reaction: A Kinetic Isotope Effect and NMR Spectroscopic Study.1995In: Journal of Organic Chemistry, ISSN 0022-3263, E-ISSN 1520-6904, Vol. 60, no 5, p. 1356-1364p. 1356-1364Article in journal (Refereed)
    Abstract [en]

    The base-catalyzed rearrangement of 1-methylindene (1) to 3-methylindene (2) has been studied. The reaction proceeds with substrate enantioselectivity (kinetic resolution) when chiral tertiary amines are used as catalysts. When dihydroquinidine (DHQD) (3

  • 48.
    Axén, Andreas
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Chemistry.
    Bispidine derivatives as molecular tools for studies of (-Allyl)palladium complexes: Ligand synthesis and analythical cpplications1998Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Determination of structural and stereochemical features of reaction intermediates in transition metal catalysed reactions is of central interest. Bispidine derivatives as ligands in (π-allyl)palladium complexes in combination with 1H NMR spectroscopy are shown to be useful tools for revealing structural characteristics of these reaction intermediates. As a support for the conclusions drawn from NMR investigations, X-ray crystallography and calculated structures were used.

    Complexes of bispidine derivatives with varying substitution pattern and different pre-formed bis[(η3-allyl)palladium chloride] complexes were formed. The resulting complexes were analysed with 1H NMR spectroscopy, especially regarding the inter-ligand NOEs and the chemical shift effects due to anisotropic effects. It is shown that a large steric interaction between the aromatic systems of N,N'-diphenylated bispidine derivatives and various (π-allyl)palladium systems can be obtained. This steric interaction can be used for hindering rotation around C-C single bonds in (π-allyl)palladium ligands.

    Furthermore, the nearness of the aromatic systems and the (π-allyl)palladium ligand give rise to anisotropic effects that, after quantification, can give information about the structure in such complexes. The inter-ligand NOEs can, in the case of a N,N-diphenyl substituted bispidine derivative, be used for assignment of relative configuration in a set of acyclic (π-allyl)palladium ligands. With a bispidine derivative carrying chiral substituents, the inter-ligand NOEs were used for assignment of absolute configuration of (π-allyl)palladium ligands.

  • 49. BAKKER, ALBERT
    et al.
    GEJJI, SHRIDHAR
    LINDGREN, JAN
    HERMANSSON, KERSTI
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    PROBST, MICHAEL M
    CONTACT ION-PAIR FORMATION AND ETHER OXYGEN COORDINATION IN THE POLYMER ELECTROLYTES M[N(CF3SO2)(2)](2)PEO(N) FOR M=MG, CA, SR AND BA1995In: Polymer, ISSN 0032-3861, E-ISSN 1873-2291, Vol. 36, no 23, p. 4371-4378Article in journal (Refereed)
    Abstract [en]

    The polymer electrolytes M[N(CF3SO2)(2)](2)PEO(n) for M = Mg, Ca, Sr and Ba have been investigated using infra-red spectroscopy, differential scanning calorimetry and impedance spectroscopy. The effects of varying concentration (n = 6-40) and temperature (25-95 degrees C) on the contact ion pair formation and cation coordination have been studied. Contact ion pairs are only found for the most concentrated samples (n < 9). Ion pairs occur with two types of structures: one type is found far samples containing Mg2+ and the other for samples with Ca2+, Sr2+ and Ba2+. The conductivities of the samples are discussed in terms of radii and coordination numbers of the cations.

  • 50. Bakker, Albert
    et al.
    Lindgren, Jan
    Hermansson, Kersti
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
    Polymer electrolytes based on triblock-copoly(oxyethylene/oxypropylene/oxyethylene) systems1996In: Polymer, ISSN 0032-3861, E-ISSN 1873-2291, Vol. 37, no 10, p. 1871-1878Article in journal (Refereed)
    Abstract [en]

    Polymer electrolytes based on triblock copolymers of ethylene oxide (EO)/propylene oxide (PO)/ethylene oxide of moderate molecular weight and narrow block-length distributions, doped with M(CF3SO3)(2) and M[N(CF3SO2)(2)](2) (M = Mg, Ca, Sr and Ba), LiCF3SO3 and LiN(CF3SO2)(2) have been investigated using infrared spectroscopy, differential scanning calorimetry and conductivity measurements. The effects of varying the EO/PO block length, composition and temperature on the phase behaviour, ion-pair formation and conductivity of the polymer electrolytes have been studied. A two-phase microstructure has been observed. Ion pairing occurs for the triflate salts and the amount was found to be sensitive to the relative block sizes rather than the molecular weight of the copolymer. Copyright (C) 1996 Elsevier Science Ltd.

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