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  • 701. Tolonen, Lasse
    et al.
    Bergenstråhle-Wohlert, Malin
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Wohlert, Jakob
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Sixta, Herbert
    Swelling and dissolution of crystalline cellulose in subcritical and supercritical water2014In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247, p. 192-CELL-Article in journal (Other academic)
  • 702.
    Toresson, Henrik
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Biochemistry.
    Steady state kinetics and regioselectivity for variants of StEH1 hydrolyzing different epoxide substrates2014Independent thesis Basic level (degree of Bachelor), 10 credits / 15 HE creditsStudent thesis
  • 703. Toth, Geza
    et al.
    Halonen, Niina
    Maklin, Jani
    Kukkola, Jarmo
    Kordas, Krisztian
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Microelectronics and Materials Physics Laboratories, EMPART Research Group of Infotech Oulu, Department of Electrical Engineering, University of Oulu, Finland.
    Thermal management of micro hotspots in electric components with carbon nanotubes2013In: International Journal of Nanotechnology, ISSN 1475-7435, E-ISSN 1741-8151, Vol. 10, no 1-2, p. 57-62Article in journal (Refereed)
    Abstract [en]

    The excellent thermal and electrical conductivity as well as the remarkable mechanical properties of Carbon Nanotubes (CNTs) all point towards an unbeatable and facile route towards replacing traditional thermal management materials, like copper, in the electronics industry. In spite of that, the technology is still suffering from considerable challenges. In order to realise an actual electronics, which uses CNTs for thermal management, inevitable trade-offs have to be made. Our work is focusing on proposing novel ideas and manufacturing techniques which show a reasonable potential and could justify the practicality of this technology. The paper is reporting on the recent results in hotspot removal by using tailored multi-layer chips and CNTs grown directly on the heat affected zone.

  • 704.
    Trygg, Johan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Aberg, K. Magnus
    13th Scandinavian Symposium on Chemometrics2014In: Journal of Chemometrics, ISSN 0886-9383, E-ISSN 1099-128X, Vol. 28, no 8, p. 604-605Article in journal (Other academic)
  • 705.
    Tu, Yaoquan
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
    Laaksonen, A.
    Towards Fast and Reliable Quantum Chemical Modelling of Macromolecules2006In: Lecture Notes in Computational Science and Engineering, ISSN 1439-7358, Vol. 49, p. 315-341Article in journal (Refereed)
    Abstract [en]

    Two possible routes to fast and reliable quantum chemical modelling and simulations of large macromolecules are outlined; a wave-function-based and an electron-densitybased. In the former method, the NDDO (Neglect of Diatomic Differential Overlap) approximation, a widely used basis for many semi-empirical molecular orbital approaches is examined and a new model, overcoming the inherent deficiencies in the NDDO model is proposed. In the new model, first order correction term is added to the electron-electron Coulomb interactions, thereby improving the balance between the core-electron and the electron-electron interactions. Using the new model, non-empirical calculations are performed showing that the total energies from this model are consistently slightly higher than those from corresponding ab initio calculation but closer to the ab initio results than when the standard NDDO is used. Before introducing the latter scheme, current ab initio tight-binding methods, developed from density functional theory are overviewed. Thereafter some improvements, especially those leading to faster and more accurate integral evaluations developed in our group, are presented. Aeries of calculations on sample molecules show that the results from our ab initio tight-binding method have nearly the same accuracy as those obtained from the corresponding frozen-core density functional calculations but at much faster speed. Both methods, the extended NDDO and the ab initio tight-binding, show a great potential as future schemes to model and simulate macromolecular systems at ab initio level of accuracy but at the speed comparable to today's semi-empirical calculations.

  • 706.
    Tuominen, Mikko
    et al.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik.
    Teisala, H.
    Haapanen, J.
    Aromaa, M.
    Mäkelä, J. M.
    Stepien, M.
    Saarinen, Jarkko J.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor. Åbo Akademi University, Åbo, Finland .
    Toivakka, M.
    Kuusipalo, J.
    Adjustable wetting of liquid flame spray (LFS) TiO2-nanoparticle coated board: Batch-type versus roll-to-roll stimulation methods2014In: Nordic Pulp & Paper Research Journal, ISSN 0283-2631, E-ISSN 2000-0669, Vol. 29, no 2, p. 271-279Article in journal (Refereed)
    Abstract [en]

    Superhydrophobic nanoparticle coating was created on the surface of board using liquid flame spray (LFS). The LFS coating was carried out continuously in ambient conditions without any additional hydrophobization steps. The contact angle of water (CAW) of ZrO2, Al2O3 and TiO2 coating was adjusted reversibly from >150° down to ~10-20° using different stimulation methods. From industrial point of view, the controlled surface wetting has been in focus for a long time because it defines the liquid-solid contact area, and furthermore can enhance the mechanical and chemical bonding on the interface between the liquid and the solid. The used stimulation methods included batch-type methods: artificial daylight illumination and heat treatment and roll-to-roll methods: corona, argon plasma, IR (infra red)- and UV (ultra violet)-treatments. On the contrary to batch-type methods, the adjustment and switching of wetting was done only in seconds or fraction of seconds using roll-to-roll stimulation methods. This is significant in the converting processes of board since they are usually continuous, high volume operations. In addition, the creation of microfluidic patterns on the surface of TiO2 coated board using simple photomasking and surface stimulation was demonstrated. This provides new advantages and possibilities, especially in the field of intelligent printing. Limited durability and poor repellency against low surface tension liquids are presently the main limitations of LFS coatings.

  • 707.
    Tuominen, Mikko
    et al.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik.
    Teisala, Hannu
    Haapanen, Janne
    Mäkelä, Jyrki M.
    Honkanen, Mari
    Vippola, Minnamari
    Bardage, Stig
    Wålinder, Magnus E.P.
    Swerin, Agne
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik.
    Superamphiphobic overhang coating on a biobased material2016In: Annual Surface and Materials Chemistry Symposium and Materials for tomorrow, ASMCS 2016, November 8-10, 2016, Gothenburg, Sweden, 2016Conference paper (Refereed)
  • 708.
    Tybrandt, Klas
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Exploring the potential of ionic bipolar diodes for chemical neural interfaces2017In: Soft Matter, ISSN 1744-683X, E-ISSN 1744-6848, Vol. 13, no 44, p. 8171-8177Article in journal (Refereed)
    Abstract [en]

    Technology interfaces which can imitate the chemically specific signaling of nervous tissues are attractive for studying and developing therapies for neurological disorders. As the signaling in nervous tissue is highly spatiotemporal in nature, an interfacing technology should provide local neurotransmitter release in the millisecond range. To obtain such a speed, the neurotransmitters must be stored close to the release point, while avoiding substantial passive leakage. Here we theoretically investigate whether ionic bipolar diodes can be used for this purpose. We find that if a sufficiently large reverse potential is applied, the passive leakage can be suppressed to negligible levels due to the high local electric field within the bipolar diode. The influences of various design parameters are studied to determine the optimal design and operation. Finally, the delivery speed of the component is evaluated using time-dependent simulations, which show that the release of neurotransmitters to physiologically relevant concentrations can be achieved in less than 10 ms. Altogether, the results suggest that ionic bipolar diodes constitute a highly attractive technology for achieving high speed low leakage addressable delivery circuits for neural interfaces.

  • 709.
    Tyrode, Eric
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface Chemistry.
    Hedberg, Jonas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science.
    A Comparative Study of the CD and CH Stretching Spectral Regions of Typical Surfactants Systems Using VSFS: Orientation Analysis of theTerminal CH3 and CD3 Groups2012In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 116, p. 1080-1091Article in journal (Refereed)
    Abstract [en]

    A systematic comparison between the vibrational spectra in the CD and CH stretching regions of four deuterated and perprotonated surfactants adsorbed at the liquid/vapor interface has been carried out using vibrational sum frequency spectroscopy (VSFS). Bulk IR and polarized Raman spectra of hexane and its deuterated analogue have also been obtained for reference. Due to differences in the Fermi resonances, the relative positions and intensities of the spectral features, including conformational order indicators vary between the CD and CH regions. The commonly used sum frequency (SF) order indicator for perprotonated molecules, which involves the amplitude ratio of the symmetric CH3 r(+)/ symmetric CH2 d(+) bands is not directly transposable to the CD region. Instead, the ratio between the asymmetric CH3 r(-)/ antisymmetric CD2 d(-) bands is proposed as a more suitable alternative. Using as a starting point the SF spectra from the upright all-trans monolayer of dodecanol and its deuterated analogue, the theoretically modeling of the terminal methyl group orientation has been critically evaluated. The orientational analysis in the CD region gives significantly more reliable and consistent results, mainly because of the relative simplicity in unambiguously resolving the concerned peaks in the SF spectra.

  • 710.
    Undin, Jenny
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymer Technology.
    Finne Wistrand, Anna
    KTH, School of Biotechnology (BIO), Protein Technology.
    Albertsson, Ann-Christine
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymer Technology.
    Amorphous and degradable polymers aimed for tissue engineering synthesized by radical ring-opening polymerization2012In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 244Article in journal (Other academic)
  • 711.
    Unge, Mikael
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. ABB Corporate Research, Västerås, Sweden.
    Jämbeck, J.
    High field ion mobility in dielectric polymers: A molecular dynamics study of water in poly(dimethylsiloxane)2017In: Proceedings of the International Symposium on Electrical Insulating Materials, Institute of Electrical Engineers of Japan , 2017, Vol. 2, p. 467-469Conference paper (Refereed)
    Abstract [en]

    Detailed understanding of charge transport phenomena in dielectrics is important in order to understand the influence of chemical composition on the dielectric properties. Material simulation methods such as density functional theory (DFT) and molecular dynamics (MD) can be used to calculate basic properties of the material. Here we focus on mobility of ions at high fields by applying MD simulations. In a recent study of ionic mobility in polyethylene, it was shown that ion mobility starts to deviate from the Einstein relation at high fields, resulting in a linear increase of the mobility [1]. We argue that this is due to conformational change of the surrounding polymers through elastic scattering which facilitates and thus accelerates the charged molecule. Here we investigate this effect of water in poly(dimethylsiloxane) (PDMS).

  • 712.
    Utsel, Simon
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Carlsson, Linn
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Malmström Jonsson, Eva
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Carlmark, Anna
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Surface-initiated ring-opening polymerization of epsilon-caprolactone from cellulose model surfaces monitored by quartz crystal microbalance2012In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 243Article in journal (Other academic)
  • 713. Valdez, S.
    et al.
    Ordonez, J. I.
    Cisternas, L. A.
    Moreno, Luis
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Chemical Engineering.
    Leaching of coarse caliche ore. Experiment and modelling2016In: Brazilian journal of chemical engineering, ISSN 0104-6632, E-ISSN 1678-4383, Vol. 33, no 1, p. 105-114Article in journal (Refereed)
    Abstract [en]

    Heap leaching of caliche ores is frequently performed with run-of-mine (ROM) material, which includes rocks of very different sizes; however, most of the experimental data are obtained using small particles. To contribute to the understanding of caliche leaching, an experiment using coarse particles was carried out. The recoveries obtained from this experiment were compared with those observed in the leaching of fine particles and, as expected, a larger volume of leachant was required for leaching coarse particles to reach the same recovery. For the highly soluble species nitrate, the recovery was modelled using a previously developed model, obtaining good agreement without any fitting by using only the mass transfer coefficient obtained, by fitting, from fine particle leaching data in previous works. Physical properties such as permeability and capillarity were determined, showing that capillary forces are large, but that the permeability is very small, implying that flow through caliche particles should be very small.

  • 714.
    Valenti, M.
    et al.
    Delft University of Technology, Netherlands.
    Jonsson, Magnus
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Biskos, G.
    Delft University of Technology, Netherlands; Cyprus Institute, Cyprus.
    Schmidt-Ott, A.
    Delft University of Technology, Netherlands.
    Smith, W. A.
    Delft University of Technology, Netherlands.
    Plasmonic nanoparticle-semiconductor composites for efficient solar water splitting2016In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 4, no 46, p. 17891-17912Article, review/survey (Refereed)
    Abstract [en]

    Photoelectrochemical (PEC) water splitting is a promising technology that uses light absorbing semiconductors to convert solar energy directly into a chemical fuel (i.e., hydrogen). PEC water splitting has the potential to become a key technology in achieving a sustainable society, if high solar to fuel energy conversion efficiencies are obtained with earth abundant materials. This review article discusses recent developments and discoveries in the mechanisms by which the localized surface plasmon resonance (LSPR) in metallic nanoparticles can increase or complement a neighbouring semiconductor in light absorption for catalytic water splitting applications. These mechanisms can mitigate the intrinsic optical limitations of semiconductors (e.g., metal oxides) for efficient solar water splitting. We identify four types of enhancement mechanisms in the recent literature: (i) light scattering, (ii) light concentration, (iii) hot electron injection (HEI), and (iv) plasmon-induced resonance energy transfer (PIRET). (i) Light scattering and (ii) light concentration are light trapping mechanisms that can increase the absorption of light with energies above the semiconductor optical band-edge. These two mechanisms are ideal to enhance the absorption of promising semiconductors with narrow bandgap energies that suffer from limited absorption coefficients and bulk charge recombination. On the other hand, (iii) HEI and the recently discovered (iv) PIRET are mechanisms that can enhance the absorption also below the semiconductor optical band-edge. Therefore, HEI and PIRET have the potential to extend the light utilization to visible and near-infrared wavelengths of semiconductors with excellent electrochemical properties, but with large bandgap energies. New techniques and theories that have been developed to elucidate the above mentioned plasmonic mechanisms are presented and discussed for their application in metal oxide photoelectrodes. Finally, other plasmonic and non-plasmonic effects that do not increase the device absorption, but affect the electrochemical properties of the semiconductor (e.g., charge carrier transport) are also discussed, since a complete understanding of these phenomena is fundamental for the design of an efficient plasmonic NP-semiconductor water splitting device.

  • 715. Valle-Delgado, J. J.
    et al.
    Molina-Bolivar, J. A.
    Galisteo-Gonzalez, F.
    Galvez-Ruiz, M. J.
    Feiler, Adam
    KTH, Superseded Departments, Chemistry.
    Rutland, Mark W
    KTH, Superseded Departments, Chemistry.
    Interaction forces between BSA layers adsorbed on silica surfaces measured with an atomic force microscope2004In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 108, no 17, p. 5365-5371Article in journal (Refereed)
    Abstract [en]

    The interaction forces between bovine serum albumin (BSA) layers adsorbed on silica surfaces have been measured using an atomic force microscope (AFM) in Conjunction with the colloid probe technique. Measurements of force-distance curves were made at different pH values and electrolyte concentrations (NaCl and CaCl2). The interaction at long range is dominated by electrical double-layer forces, while at short surface separations an additional repulsion due to the compression of the adsorbed protein layers appears. However, prior to this steric interaction, when the pH is above the isoelectric point of the protein and at high salt concentration, a non-DLVO repulsive interaction is observed. This behavior is explained if the presence of hydration forces in the system is assumed. Theoretical predictions including a hydration term in the DLVO theory fit the experimental results satisfactorily. The results presented in this article provide a direct confirmation that the AFM colloid probe technique can provide a useful way of directly quantifying the interaction of biological macromolecules.

  • 716.
    Valvo, Mario
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
    Rehnlund, David
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Lafont, Ugo
    Hahlin, Maria
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
    Edström, Kristina
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
    Nyholm, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    The impact of size effects on the electrochemical behaviour of Cu2O-coated Cu nanopillars for advanced Li-ion microbatteries2014In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 2, no 25, p. 9574-9586Article in journal (Refereed)
    Abstract [en]

    The generation of a distribution of nanoparticles upon conversion reaction of thin Cu2O layers is demonstrated to produce a wide electrochemical potential window, as well as a distinctive capacity increase in large area three-dimensional electrodes. Cu nanopillars with a 10-15 nm Cu2O coating containing traces of nanocrystattine Fe2O3 yield capacities up to 0.265 mA h cm(-2) (at 61 mA g(-1)), excellent cycling for more than 300 cycles and an electroactive potential window larger than 2 V. due to the size effects caused by the various Cu/Cu2O nanopartictes formed during conversion/deconversion. These 3D Li-ion battery electrodes based on etectrodeposited Cu nanopillars spontaneously coated with a Cu2O layer are compatible with current densities of 16 A g(-1) (i.e. 61 C rates) after aerosol-assisted infiltration with an iron acetate solution followed by low-temperature pyrolysis. The capacity of the composite material increases by 67% during 390 cycles due to the growth of the electroactive area during the electrochemical milling of Cu2O forced by its repeated conversion/de-conversion. The latter generates a distribution of nanoparticles with different sizes and redox potentials, which explains the broad potential window, as well as the significant capacity contribution from double layer charging. These 3D electrodes should be well-suited for Li-ion microbatteries and Li-ion batteries in general, since they combine high capacities per footprint area with excellent power capabilities. More importantly, such electrodes grant access to fundamental understanding of the electrochemical behaviour of these active materials providing new insights into both conversion mechanisms and nanostructured interfaces more in general.

  • 717.
    Vastesson, Alexander
    et al.
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    Guo, Maoxiang
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    Haraldsson, Klas Tommy
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    van der Wijngaart, Wouter
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    Polymer nanoliter well arrays for liquid storage and rapid on-demand electrochemical release2018In: Sensors and actuators. B, Chemical, ISSN 0925-4005, E-ISSN 1873-3077, Vol. 267, p. 111-118Article in journal (Refereed)
    Abstract [en]

    Polymer microfluidic systems are of increasing importance in several applications in biomedicine and biosensing. The integrated encapsulation, storage, and controlled release of small amounts of liquid in such systems remains an unresolved technical challenge. Here, we report two methods for the room temperature and adhesive-free sealing of 1-330 nanoliter volumes of liquid in off-stoichiometry thiol-ene polymer well arrays by spontaneous bonding to 200 nm thin gold films. Sealed well arrays were stored for more than one month in a liquid environment with <10% liquid loss, and for more than one week in air with minimal loss. We demonstrated that controlling the electrical potential and polarity over encapsulated wells allowed for selecting one of two well opening mechanisms: slow anodic electrochemical etching, or rapid electrolytic gas pressure-induced bursting of the gold film. The results may find potential applications in diagnostic testing, in vivo drug delivery, or in spatio-temporal release of chemical compounds in biological assays.

  • 718.
    Vastesson, Alexander
    et al.
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    Guo, Maoxiang
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    Haraldsson, Tommy
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    van der Wijngaart, Wouter
    KTH, School of Electrical Engineering and Computer Science (EECS), Micro and Nanosystems.
    Polymer nanoliter well arrays for liquid storage and rapid on-demand electrochemical release2018In: Sensors and actuators. B, Chemical, ISSN 0925-4005, E-ISSN 1873-3077, Vol. 267, p. 111-118Article in journal (Refereed)
    Abstract [en]

    Polymer microfluidic systems are of increasing importance in several applications in biomedicine and biosensing. The integrated encapsulation, storage, and controlled release of small amounts of liquid in such systems remains an unresolved technical challenge. Here, we report two methods for the room temperature and adhesive-free sealing of 1-330 nanoliter volumes of liquid in off-stoichiometry thiol-ene polymer well arrays by spontaneous bonding to 200 nm thin gold films. Sealed well arrays were stored for more than one month in a liquid environment with <10% liquid loss, and for more than one week in air with minimal loss. We demonstrated that controlling the electrical potential and polarity over encapsulated wells allowed for selecting one of two well opening mechanisms: slow anodic electrochemical etching, or rapid electrolytic gas pressure-induced bursting of the gold film. The results may find potential applications in diagnostic testing, in vivo drug delivery, or in spatio-temporal release of chemical compounds in biological assays.

  • 719.
    Velikyan, Irina
    Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Medicinal Chemistry, Preclinical PET Platform. Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Medicine, Department of Radiology, Oncology and Radiation Science. Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Medicine, Department of Surgical Sciences, Radiology.
    Continued rapid growth in Ga-68 applications: update 2013 to June 20142015In: Journal of labelled compounds & radiopharmaceuticals, ISSN 0362-4803, E-ISSN 1099-1344, Vol. 58, no 3, p. 99-121Article, review/survey (Refereed)
    Abstract [en]

    The worldwide utilization of Ga-68-radionuclide for the fundamental research and clinical applications is growing exponentially. A broad range of Ga-68-based imaging agents has been explored during recent years. The development of new clinically useful agents is encouraged by many factors; for example, increasing role of positron emission tomography (PET) in nuclear medicine, discovery of new biomarkers, accessibility of Ga-68, and establishment of PET radiopharmaceutical regulation and legislation. The focus of this review resides on the reports regarding Ga-68-related research and applications published during 2013 to June 2014.

  • 720.
    Vijayaraghavan, Balaje
    Stockholm University, Faculty of Science, Department of Neurochemistry.
    Identification and characterization of protein-protein interactions in the nuclear envelope2017Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    The nuclear envelope forms the interface between the nucleus and the cytoplasm. The nuclear envelope consists of the two concentric lipid membranes, the nuclear pores and the nuclear lamina. The inner nuclear membrane contains hundreds of unique transmembrane proteins showing high tissue diversity. Mutations of some proteins in the nuclear envelope give rise to a broad spectrum of diseases called envelopathies or laminopathies. In this thesis, I aimed to study the functional organization of the nuclear envelope by identifying and characterizing interactions between the nuclear envelope proteins. For this, we developed a novel method called the Membrane Protein Crosslink Immuno-Precipitation, which enable identification of protein-protein interactions in the nuclear envelope in live cells. We identified several novel interactions of the inner nuclear membrane protein, Samp1, and studied the interaction between the Samp1 and the nuclear GTPase, Ran in detail. Samp1 can bind to Ran and is thus the first known transmembrane Ran binding protein and Samp1 might provide a local binding site for Ran in the inner nuclear membrane. We found that Samp1 also binds to the inner nuclear membrane protein, Emerin and Ran can regulate the Samp1-Emerin interaction in the nuclear envelope. During mitosis, Samp1 distributes in the mitotic spindle. Therefore, we investigated a possible functional role of Samp1 in the mitotic machinery. Samp1 depletion resulted in aneuploid phenotypes, metaphase prolongation and decreased distribution of γ-tubulin and β-tubulin in the mitotic spindle. We found that Samp1 can bind to γ-tubulin, which is essential for the microtubule nucleation and hence for the spindle stability. The new interesting features of Samp1 provide insights on the unforeseen functions of the nuclear envelope proteins.

  • 721. Visniakova, Sigita
    et al.
    Urbanaviciute, Indre
    Dauksaite, Lauryna
    Janulevicius, Matas
    Lenkeviciute, Brone
    Sychugov, Ilya
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Arlauskas, Ketutis
    Zilinskas, Albinas
    Luminescent benzo- and naphthoquinolines: Synthesis and investigation of photophysical properties2015In: Journal of Luminescence, ISSN 0022-2313, E-ISSN 1872-7883, Vol. 167, p. 261-267Article in journal (Refereed)
    Abstract [en]

    The aim of this study was to synthesise new luminescent small molecular weight benzo- and naphthoquinoline derivatives (based on already known synthons) with different substituents (chlorine, tetrazole, iminophosphorane and amine), to characterize them by ultraviolet photoelectron spectroscopy in air (UPS), luminescence and absorption photospectrometry and to investigate the changes in these properties resulted by differences of molecular structure. Measured values of the HOMO, the LUMO energy levels and optical band gap (E-g_opt) were in range E-HOMO = [ - 5, 9; - 5, 5] eV, E-LUMO = [ 3, 6; - 3] eV, E-g_opt = [2; 2, 8] eV. Most of the examined materials showed high intensity fluorescence reaching quantum yields of 49%. Fluorescence peaks of thermally evaporated layers distributed in range of lambda(Layer)=[477; 596] nm - from blue to orange colour while in chloroform solution remained in blue-green interval lambda(Solution)=[471;537] nm. Primary study results of electroluminescence indicate that the materials have a potential to be used in organic optoelectronics.

  • 722. Vlasov, S.
    et al.
    Bessarab, Pavel F.
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics. St. Petersburg State University, Russian Federation.
    Uzdin, V. M.
    Jónsson, H.
    Classical to quantum mechanical tunneling mechanism crossover in thermal transitions between magnetic states2016In: Faraday discussions (Online), ISSN 1359-6640, E-ISSN 1364-5498, Vol. 195, p. 93-109Article in journal (Refereed)
    Abstract [en]

    Transitions between states of a magnetic system can occur by jumps over an energy barrier or by quantum mechanical tunneling through the energy barrier. The rate of such transitions is an important consideration when the stability of magnetic states is assessed for example for nanoscale candidates for data storage devices. The shift in transition mechanism from jumps to tunneling as the temperature is lowered is analyzed and a general expression derived for the crossover temperature. The jump rate is evaluated using a harmonic approximation to transition state theory. First, the minimum energy path for the transition is found with the geodesic nudged elastic band method. The activation energy for the jumps is obtained from the maximum along the path, a saddle point on the energy surface, and the eigenvalues of the Hessian matrix at that point as well as at the initial state minimum used to estimate the entropic pre-exponential factor. The crossover temperature for quantum mechanical tunneling is evaluated from the second derivatives of the energy with respect to orientation of the spin vector at the saddle point. The resulting expression is applied to test problems where analytical results have previously been derived, namely uniaxial and biaxial spin systems with two-fold anisotropy. The effect of adding four-fold anisotropy on the crossover temperature is demonstrated. Calculations of the jump rate and crossover temperature for tunneling are also made for a molecular magnet containing an Mn4 group. The results are in excellent agreement with previously reported experimental measurements on this system.

  • 723.
    Vyas, Anisha
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH).
    Exploiting new lyticpolysaccharide monooxygenase(LPMO) and its application to thedestruction of wood cell walls2018Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
    Abstract [en]

    Fossil fuels are compressed organic matter with the potential to provide energy. But these sources are depleting due to energy demand and non-renewability of fossil fuels. Therefore, need of the hour is to switch to sustainable energy sources such as biofuels. Biofuels (bioethanol and biodiesel) are energy rich sources produced from biomass. Biofuels is not a new concept, it has been prevalent as the first liquid fuel since the 18th century but it was commercially harnessed only a couple of years ago. First generation biofuels as the name suggests is the kind which was first produced, and food crops were used as the carbon source. This gave rise to a competition between food crops for nutrition and biofuels production. Since energy consumption in producing food crops exceeds energy produced by bioethanol from food crops. Therefore, first generation bioethanol can’t be considered commercially viable and completely sustainable. On the other hand, second generation biofuels are majorly produced from forest and agricultural wastes. This was a potential solution to the problem faced with first generation biofuels, only that the organic polymers are highly intact, and they need pretreatment steps to yield fermentable sugars. This problem has been prevalent for years and has demotivated the commercialization of second generation biofuels. To deal with this situation a couple of chemical and mechanical pretreatment steps have been suggested. But these methods are cost and energy intensive. Research and experimentation has been carried out for seeking a solution to this problem.Bio-catalysis is anticipated to offer a sustainable and cost-effective approach for pretreatment of lignocellulosic wastes. Glycoside hydrolase is a class of hydrolytic enzymes that dictate the breakdown of organic polymers such as cellulase hydrolyses cellulose and so on. But herein crystalline cellulose and hemicellulose are inaccessible to GH enzymes due their compact and rigid structure. To intervene such a crystalline cellulose its obligatory to have an external factor to disrupt the strong intermolecular hydrogen bonding. A redefined class of enzymes called Lytic Polysaccharide Monooxygenase (LPMO) have been studied for its impact on such recalcitrant polysaccharides. LPMOs are oxidative enzymes that have the potential to break down compact and crystalline polysaccharide structure by introducing molecular scratch on the surface of crystalline polysaccharide fibers, assisting the breakdown of crystalline structures for saccharification purposes. Specifically, cellulose active LPMO will be dealt with in this

  • 724.
    Vyorkka, Jouko
    et al.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Vandezande, Gerald A.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Salminen, Pekka J.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Ruh, Bruno
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Fogden, Andrew
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Corkery, Robert W.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry (closed 20110630). YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Hydrophobic Coatings2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    A process for improving the hydrophobicity of architectural coating compositions and adhesive release surface compositions, the process comprising preparing at least one of said compositions using the following components: inorganic particles, at least one fatty acid or a salt thereof, a polymeric binder, and water. There is further disclosed a method for preparing an aqueous composition and a method of coating a substrate.

  • 725. Väljamäe, Priit
    et al.
    Sild, Veljo
    Pettersson, Göran
    Johansson, Gunnar
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Biochemistry.
    The Initial Kinetics of Hydrolysis by Cellobiohydrolases I and II is Consistent with a Cellulose Surface-Erosion Model1998In: European Journal of Biochemistry, ISSN 0014-2956, E-ISSN 1432-1033, Vol. 253, p. 469-475Article in journal (Refereed)
  • 726. Wakeham, D.
    et al.
    Crivoi, D. G.
    Medina, F.
    Segarra, A. M.
    Rutland, Mark W.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Life Science. Department of Surface and Corrosion Science, School of Chemical Science and Engineering, KTH Royal Institute of Technology.
    In-situ study of substrate - catalyst interactions in a Juliá-Colonna epoxidation using quartz crystal microbalance with dissipation2016In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 469, p. 263-268Article in journal (Refereed)
    Abstract [en]

    Quartz crystal microbalance with dissipation (QCM-D) analysis of the hexa-l-Leucine (PLL)-catalyzed epoxidation of chalcone gives in-situ experimental evidences which demonstrate that the reaction proceeds mainly via the formation of a PLL-bound hydroperoxide complex followed by the reversible addition of chalcone. The observations offer an alternative rationalization for the viability of the preferred catalytic pathway.

  • 727. Wallin, S.
    et al.
    Östmark, H.
    Brinck, Tore
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry (closed 20110630).
    Norrefeldt, M.
    Rehn, S.
    Novel high energetic materials: Calculations and synthesis attempts of metal pentazolates by electrochemistry2006In: Proceedings of the 13th International Detonation Symposium, 2006, p. 263-272Conference paper (Refereed)
    Abstract [en]

    Electrochemical synthesis has been used to selectively cleave of the nitrogen ring from p-methoxyphenylpentazole. Evidence suggesting that the pentazole ring leaves the molecule as one entity is presented. The results of quantum chemical calculations supporting and enabling the experimental work are also presented.

  • 728.
    Wang, Bo
    et al.
    KTH, School of Biotechnology (BIO), Biochemistry.
    Land, Henrik
    KTH, School of Biotechnology (BIO), Biochemistry.
    Berglund, Per
    KTH, School of Biotechnology (BIO), Biochemistry.
    An efficient single-enzymatic cascade for asymmetric synthesis of chiral amines catalyzed by omega-transaminase2013In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 49, no 2, p. 161-163Article in journal (Refereed)
    Abstract [en]

    An efficient single-enzymatic cascade approach for the asymmetric synthesis of chiral amines has been developed, which applies the amino donor 3-aminocyclohexa-1,5-dienecarboxylic acid spontaneously tautomerizing to reach reaction completion with excellent ee values.

  • 729.
    Wang, Bo
    et al.
    KTH, School of Biotechnology (BIO), Biochemistry.
    Liu, Y.
    Zhang, D.
    Feng, Y.
    Li, J.
    Efficient kinetic resolution of amino acids catalyzed by lipase AS 'Amano' via cleavage of an amide bond2012In: Tetrahedron: asymmetry, ISSN 0957-4166, E-ISSN 1362-511X, Vol. 23, no 18-19, p. 1338-1342Article in journal (Refereed)
    Abstract [en]

    Herein the efficient kinetic resolution of non-natural alpha-amino acids catalyzed by lipase AS 'Amano' via cleaving the amide bond is reported. The starting materials were the corresponding amino acid amides and the amino acids were generated with ees of up to 99% with E values of >600. These results indicated that the lipase AS 'Amano' could be a powerful amide hydrolase for the kinetic resolution of amino acid starting from the corresponding amino acid amides.

  • 730. Wang, Bo-Yao
    et al.
    Wang, Hsiaotsu
    Chen, Ling-Yen
    Hsueh, Hung-Chung
    Li, Xin
    Guo, Jinghua
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Chiou, Jau-Wern
    Wang, Wei-Hua
    Wang, Po-Hsiang
    Chen, Kuei-Hsien
    Chen, Yen-Chih
    Chen, Li-Chyong
    Chen, Chia-Hao
    Wang, Jian
    Pong, Way-Faung
    Nonlinear bandgap opening behavior of BN co-doped graphene2016In: Carbon, ISSN 0008-6223, E-ISSN 1873-3891, Vol. 107, p. 857-864Article in journal (Refereed)
    Abstract [en]

    We have demonstrated a nonlinear behavior for the bandgap opening of doped graphene by controlling the concentration of B and N co-dopants. X-ray absorption and emission spectra reveal that the bandgap increases from 0 to 0.6 eV as the concentration of BN dopants is increased from 0 to 6%, while the bandgap closes when the doping concentration becomes 56%. This nonlinear behavior of bandgap opening of the BN-doped graphene depending on the BN concentrations is consistent with the valenceband photoemission spectroscopic measurements. The spatially resolved B, N and C K-edge scanning transmission x-ray microscopy and their x-ray absorption near- edge structure spectra all support the scenario of the development of h-BN-like domains at high concentrations of BN. Ab initio calculation, by taking into account of the strong correlation between the bandgap and the geometry/concentration of the dopant, has been performed with various BN-dopant nano-domains embedded in the graphene monolayer to verify the unique bandgap behavior. Based on the experimental measurements and ab initio calculation, we propose the progressive formation of a phase-separated zigzag-edged BN domain from BN quantum dots with increasing BN-dopant concentration to explain the extraordinary nonlinear behavior of bandgap opening of BN-doped graphene sheets. This study reveals a new way to engineer the bandgap of low-dimensional systems.

  • 731.
    Wang, Hansheng
    KTH, School of Chemical Science and Engineering (CHE).
    Electrochemical investigation of "green" film-forming corrosion inhibitors:  2011Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
    Abstract [en]

    In this work, a comparative electrochemical study has been performed to evaluate corrosion inhibition property of several film-forming corrosion inhibitors provide by Akzo Nobel on carbon steel in a chloride solution. For carbon steel exposed to 1 M NaCl solution with and without added inhibitor, electrochemical measurements including electrochemical impedance spectroscopy (EIS), linear polarization resistance (LPR) at different exposure time intervals, and potentiodynamic polarization at the termination of the exposure, have been performed to investigate the film forming process and to evaluate corrosion inhibition efficiency of the inhibitors, as well as its evolution with time.

    The corrosion resistance data obtained from the EIS and LPR measurements are in good agreement. The results indicate different inhibition properties of the inhibitors tested. The inhibition effect of SSF CI-1 is negligible in the first hour of exposure, but it increases steadily with time for 1 day, and then remains the same level during the exposure up to one week. SSF CI-2 exhibits a good inhibition effect in the first hour, but the effect decreases with time to a low level after 8 hours, and then increases again with prolonged exposure. SSF CI-4 shows a low inhibition effect during the first day, and then increases to a maximum level after three days’ exposure. For SSF CI-5 and SSF CI-6, the inhibition effect within 8 hours is relative low but higher than that of SSF CI-4, and the effect increases with time during prolonged exposure. The SSF CI-5 seems to be better than SSF CI-6 because of a more stable inhibition effect.

    The EIS results indicate that most of the inhibitors form a resistive surface film on carbon steel, which becomes more resistive and protective after several days’ of exposure. However, in the initial stage of exposure, the SSF CI-6 does not show an effect of formation of a resistive film on the surface. The potentiodynamic polarization measurements suggest that, SSF CI-1 and SSF CI-2 are anodic type inhibitor, SSF CI-4 is cathodic type inhibitor, and SSF CI-5 and SSF CI-6 are mix type inhibitor.

    Moreover, the inhibitors tested show a similar corrosion inhibition effect as mussel adhesive protein (MAP) at the low dosage level.

  • 732.
    Wang, Jing
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Process Metallurgy.
    Guo, Peng
    Guo, Qiangsheng
    Jönsson, Pär G.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Process Metallurgy.
    Zhao, Zhe
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Ceramics.
    Fabrication of novel g-C3N4/nanocage ZnS composites with enhanced photocatalytic activities under visible light irradiation2014In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 16, no 21, p. 4485-4492Article in journal (Refereed)
    Abstract [en]

    In order to develop efficient visible light-driven photocatalysts for environmental applications, novel g-C3N4/nanocage ZnS composites have been successfully fabricated via an anion exchange route using ZIF-8 as a self-sacrificing template. The as-prepared g-C3N4/ZnS composites were characterized by powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy, UV-vis diffuse reflectance spectroscopy, Fourier transform infrared spectroscopy and photoluminescence. In addition, the photocatalytic oxidation of organic contaminants in aqueous solution was investigated with the g-C3N4/ZnS composite system under visible light irradiation by using rhodamine B as a model compound. The results indicate that the g-C3N4/ZnS composite photocatalysts show higher photocatalytic activity than the single component (pure g-C3N4 or ZnS). More specifically, the optimum photocatalytic activity of the g-C3N4/ZnS composite was achieved with a weight ratio of 6 : 1, which is as high as 37.8 and 2.8 times those of individual ZnS and g-C3N4 under visible light irradiation. The enhanced photocatalytic activity of g-C3N4/ZnS is mainly attributed to an efficient electron-hole separation at the interface of the two semiconductors, as determined by photoluminescence spectroscopy. Moreover, it is observed that. O-2 is the main active species in the photocatalytic oxidation of RhB solution using a g-C3N4/nanocage ZnS composite.

  • 733.
    Wang, Lei
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Duan, Lele
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Tong, Lianpeng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Visible light-driven water oxidation catalyzed by mononuclear ruthenium complexes2013In: Journal of Catalysis, ISSN 0021-9517, E-ISSN 1090-2694, Vol. 306, p. 129-132Article in journal (Refereed)
    Abstract [en]

    A series of mononuclear ruthenium water oxidation catalysts (WOCs) [Ru(bda)L-2] (H(2)bda = 2,2'-bipyridine-6,6'-dicarboxylic acid; L = N-cyclic aromatic ligands) were investigated in three-component light-driven water oxidation systems composed of photosensitizers, a sacrificial electron acceptor, and WOCs. A high turnover number of 579 for water oxidation was achieved in the homogeneous system using complex 4 ([Ru(bda)(4-Br-pyridine)(2)]) as the WOC, and a high quantum efficiency of 17% was found which is a new record for visible light-driven water oxidation in homogeneous systems.

  • 734.
    Wang, Lei
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Duan, Lele
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Wang, Ying
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ahlquist, Mårten
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. State Key Lab of Fine Chemicals, DUT-KTH Joint Education and Research Center on Molecular Devices, Dalian University of Technology (DUT)Dalian, China .
    Highly efficient and robust molecular water oxidation catalysts based on ruthenium complexes2014In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 50, no 85, p. 12947-12950Article in journal (Refereed)
    Abstract [en]

    Two monomeric ruthenium molecular catalysts for water oxidation have been prepared, and both of them show high activities in pH 1.0 aqueous solutions, with an initial rate of over 1000 turnover s(-1) by complex 1, and a turnover number of more than 100 000 by complex 2.

  • 735. Wang, Lei
    et al.
    Yang, Xichuan
    Zhao, Jianghua
    Zhang, Fuguo
    Wang, Xiuna
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Efficient Organic Sensitizers with Pyridine-N-oxide as an Anchor Group for Dye-Sensitized Solar Cells2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, no 9, p. 2640-2646Article in journal (Refereed)
    Abstract [en]

    Five organic dyes with pyridine-N-oxide as the anchor group and electron acceptor have been synthesized and applied in dye-sensitized solar cells (DSSCs). Benzothiadiazole was introduced in the conjugation system to increase the electron withdrawing properties, FTIR spectra showed that the coordination was between the pyridine-N-oxide and the Bronsted acid site on the TiO2 surface. The relationship between different dye structures and the performance of the DSSCs was investigated systematically. The location of the thiophene unit was studied, and the direct linkage of benzothiadiazole with pyridine-Noxide was beneficial to broaden the absorption. The donor-acceptor-acceptor-configured dye WL307, which has 2-ethylhexyloxy chains in the donor part, showed the best efficiency of 6.08% under 100 mWcm(-2) light illumination. The dye series showed a fairly good stability during the one month test period.

  • 736. Wang, Liping
    et al.
    Schütz, Christina
    Salazar-Alvarez, German
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Titirici, Maria-Magdalena
    Carbon aerogels from bacterial nanocellulose as anodes for lithium ion batteries2014In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 4, no 34, p. 17549-17554Article in journal (Refereed)
    Abstract [en]

    Carbon aerogels with large open pores and high surface area are fabricated via pyrolysis of a readily available natural resource, e. g., bacterial nanocellulose (BNC) aerogels. Freeze-drying of the BNC hydrogels is used to preserve the 3D open network structure upon calcination whereas using Fe(III) improves the yield and H/C ratio. These carbon aerogels are explored as anodes in lithium ion batteries where it is shown that they deliver superior capacity retention and rate performance compared to other carbon-based materials.

  • 737. Wang, Mei
    et al.
    Yang, Yong
    Shen, Junyu
    Jianga, Jian
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Visible-light-absorbing semiconductor/molecular catalyst hybrid photoelectrodes for H-2 or O-2 evolution: recent advances and challenges2017In: SUSTAINABLE ENERGY & FUELS, ISSN 2398-4902, Vol. 1, no 8, p. 1641-1663Article, review/survey (Refereed)
    Abstract [en]

    The research on the conversion of solar energy and its storage as an eco-friendly and momentarily available chemical fuel, such as H-2, by sunlight-driven water splitting is closely related to the sustainable development of the global economy and to the continuous improvement of the modern living standards of human beings. One of the most promising approaches to sunlight-driven water splitting is to construct a dual-illuminated photoelectrochemical (PEC) cell by integrating a photoanode with a photocathode in a tandem configuration. To this end, the important work is to individually develop highly efficient, durable, inexpensive, and readily scalable photoanodes and photocathodes for each half reaction of water splitting, either O-2 or H-2 evolution reaction (OER or HER). A promising approach emerging in recent years towards OER photoanodes and HER photocathodes is the immobilization of molecular catalysts (MC) onto the surface of visible-light-absorbing semiconductor (VLASC) electrodes. Very recently, some encouraging results have been achieved in the construction of MC-modified VLASC photoanodes and photocathodes. This review is focused on the recent advances in hybrid photoelectrodes for OER and HER, which were built by the integration of MCs with VLASC materials. After a brief introduction of three major units, viz. VLASC materials, MCs, and anchor groups, used to date for fabricating hybrid photoelectrodes for OER and HER, the construction strategy and the performance of the VLASC/MC photoanodes and photocathodes are described in two respective chapters. Finally, challenges and developments in future studies of VLASC/MC hybrid photoelectrodes are discussed.

  • 738.
    Wang, Miao
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. Innventia AB, Sweden.
    Sjöholm, Elisabeth
    Li, Jiebing
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. Innventia AB, Sweden.
    Fast and reliable quantification of lignin reactivity via reaction with dimethylamine and formaldehyde (Mannich reaction)2017In: Holzforschung, ISSN 0018-3830, Vol. 71, no 1, p. 27-34Article in journal (Refereed)
    Abstract [en]

    The influence of pH on the Mannich reaction (amino alkylation in the presence of formaldehyde) has been analyzed by liquid chromatography-mass spectrometry (LC-MS) with vanillin (VA) as a model compound and a purified softwood kraft lignin (SKL) as a substrate. The reaction products of VA were studied at pH 5, 7, and 9 at 60 degrees C for 4 h. The Mannich adduct and side reaction products with methylene bridge were found at both pH 7 and 9, while only di-substituted by-products were observed at pH 5. Nitrogen contents determined from blank runs were substantial at pH 5 and negligible at pH 7. In VA or SKL, the resulting N-contents at pH 7 corresponded to a 76 or 62 mol% of the theory, respectively, i.e. based on the available C-5 positions in phenolic guaiacyl units (G-units). In the case of SKL, P-31-NMR analysis confirmed a 77% conversion of all phenolic G-units into their C-5 substituted derivatives. The Mannich reaction should be performed on lignin at pH 7 for 1 h to suppress unwanted side reactions, which could be observed by LC-MS under other pH conditions. The reaction is suitable for fast and reliable determination of reactive C-5-positions in lignin by multiplication of the N-content of the reaction products with a factor of 1.6.

  • 739. Wang, Richard B.
    et al.
    Koerbel, Sabine
    Saha, Santanu
    Botti, Silvana
    Skorodumova, Natalia V.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Multiscale Materials Modelling. Uppsala University, Sweden.
    Structure and Optical Properties of Small (TiO2)(n) Nanoparticles, n=21-242017In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, no 17, p. 9528-9536Article in journal (Refereed)
    Abstract [en]

    Recently, nanostructured TiO2 ("black TiO2") has been discovered to absorb visible light, which makes, it an efficient material for water splitting. Hydrogenization has been proposed to be at the origin of this beneficial electronic structure of black TiO2. Here, we investigate, using ab initio methods, alternative mechanisms related to structure modifications in nanoclusters that could be responsible for absorption in the visible range. To that end, we apply a combination of computational structure prediction using simulated annealing and minima-hopping methods based on density-functional theory to predict low-energy configurations and time-dependent density-functional theory (TDDFT) using a hybrid functional with optimized Hartree Fock content to obtain optical absorption edges.

  • 740. Wang, X.
    et al.
    Herting, G.
    Odnevall Wallinder, I.
    Blomberg, Eva
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Life Science. Department of Chemistry, Surface and Corrosion Science, KTH Royal Institute of Technology.
    Adsorption of bovine serum albumin on silver surfaces enhances the release of silver at pH neutral conditions2015In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 17, no 28, p. 18524-18534Article in journal (Refereed)
    Abstract [en]

    Metallic biomaterials are widely used to replace and/or restore the function of damaged bodily parts. The use of silver as antibacterial coatings onto implants has recently gained large interest in medical applications. The extent of silver that can be released into different biological fluids from such coatings is, except for the surface characteristics of the coating, governed by parameters such as protein characteristics, adsorbed layer properties, formation of silver-protein complexes as well as concentrations of proteins in the solution. This study aims to relate the structure of adsorbed net negatively charged bovine serum albumin (BSA), which is the most abundant protein in serum, to the release of silver from metallic silver surfaces in order to elucidate if the net charge of the protein has any effect of the silver release. Simultaneous adsorption measurements were performed in real time on the very same surface using combined ellipsometry and quartz crystal microbalance with dissipation monitoring (QCM-D) measurements to provide a more comprehensive understanding on adsorption kinetics and layer structures. The amount of released silver into solution was measured by means of graphite furnace atomic absorption spectroscopy (GF-AAS). The structure of the adsorbed BSA layer largely influenced the amount of released silver, an enhancement that increased with BSA concentration. These observations are in complete contrast to the effect of net positively charged lysozyme (LSZ) adsorbed on silver, previously studied by the authors, for which a complete surface coverage suppressed the possibility for silver release. The underlying mechanisms behind the enhanced release of silver in the presence of BSA were mainly attributed to surface complexation between BSA and silver followed by an enhanced exchange rate of these surface complexes with BSA molecules in the solution, which in turn increase the amount of released silver in solution.

  • 741.
    Wang, Xiaojing
    et al.
    KTH, School of Electrical Engineering (EES), Micro and Nanosystems.
    Bleiker, Simon J.
    KTH, School of Electrical Engineering (EES), Micro and Nanosystems.
    Antelius, Mikael
    Stemme, Göran
    KTH, School of Electrical Engineering (EES), Micro and Nanosystems.
    Niklaus, Frank
    KTH, School of Electrical Engineering (EES), Micro and Nanosystems.
    Narrow footprint copper sealing rings for low-temperature hermetic wafer-level packaging2017In: TRANSDUCERS 2017 - 19th International Conference on Solid-State Sensors, Actuators and Microsystems, Institute of Electrical and Electronics Engineers (IEEE), 2017, p. 423-426, article id 7994077Conference paper (Refereed)
    Abstract [en]

    This paper reports a narrow footprint sealing ring design for low-temperature, hermetic, and mechanically stable wafer-level packaging. Copper (Cu) sealing rings that are as narrow as 8 μm successfully seal the enclosed cavities on the wafers after bonding at a temperature of 250 °C. Different sealing structure designs are evaluated and demonstrate excellent hermeticity after 3 months of storage in ambient atmosphere. A leak rate of better than 3.6×10'16 mbarL/s is deduced based on results from residual gas analysis measurements. The sealing yield after wafer bonding is found to be not limited by the Cu sealing ring width but by a maximum acceptable wafer-to-wafer misalignment.

  • 742.
    Wang, Yan
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Bergenstråhle-Wohlert, Malin
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Tu, Yaoquan
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Berglund, Lars A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Wohlert, Jakob
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Swelling and dimensional stability of xyloglucan/montmorillonite nanocomposites in moist conditions from molecular dynamics simulations2017In: Computational Materials Science, ISSN 0927-0256, Vol. 128, p. 191-197Article in journal (Refereed)
    Abstract [en]

    Nacre-mimetic biocomposites made from the combination of montmorillonite clay and the hemicellulose xyloglucan give materials that retain much of their material properties even at high relative humidity. Here, a model composite system consisting of two clay platelets intercalated by xyloglucan oligomers was studied at different levels of hydration using molecular dynamics simulations, and compared to the pure clay. It was found that xyloglucan inhibits swelling of the clay at low water contents by promoting the formation of nano-sized voids that fill with water without affecting the material's dimensions. At higher water contents the XG itself swells, but at the same time maintaining contact with both platelets across the gallery, thereby acting as a physical cross-linker in a manner similar to the role of XG in the plant cell wall.

  • 743.
    Wang, Yan
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Wohlert, Jakob
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Berglund, Lars A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Tu, Yaoquan
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Molecular dynamics simulation of strong interaction mechanisms at wet interfaces in clay-polysaccharide nanocomposites2014In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 2, no 25, p. 9541-9547Article in journal (Refereed)
    Abstract [en]

    Bio-composites comprised of the polysaccharide xyloglucan (XG) and montmorillonite (MTM) clay has potential as a 'green' replacement of conventional petroleum-derived polymers in the packaging industry. These materials have been shown to possess excellent material properties, even in high relative humidity. Although interfacial interaction between XG and MTM, and the molecular structure of XG can be identified as key parameters for the complex formation process and the resulting tensile properties, these properties are usually difficult to address using experimental methods. Here we use molecular dynamics (MD) simulations to study the adsorption of fully atomistic models of both native and chemically modified XG to MTM clay surfaces in explicit water. We show that the driving force for adsorption is a favorable change in enthalpy, and furthermore that native XG adsorbs stronger than modified XG. This highlights the importance of molecular structure details to molecular adhesion. The present study provides insights into the molecular scale adsorption mechanisms and can therefore help in designing routes for further improvements of bio-composite materials.

  • 744.
    Wang, Ying
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Rinkevicius, Zilvinas
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ahlquist, Mårten S. G.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Formation of N-oxide in the third oxidation of [Ru-II(tpy)(L)(OH2)](2+)2017In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 53, no 41, p. 5622-5624Article in journal (Refereed)
    Abstract [en]

    The widely studied water oxidation catalyst [Ru-II(tpy)(L)(OH2)](2+) (tpy = 2,2': 6',2"-terpyridine, L = bpy = 2,2'-bipyridine or L = bpm = 2,2'-bipyrimidine) is still under scrutiny. Here we present a new suggestion for one of the key steps, results that could resolve conflicting interpretations of experimental results. Instead of the previously proposed Ru-V=O species, a proposed key species in water oxidation catalysis, we propose that the third oxidation of RuII could lead to a Ru-III N-oxide, via rapid water coordination followed by oxidation and concerted N-O bond formation.

  • 745.
    Warczak, Magdalena
    et al.
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Gryszel, Maciej
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Jakesova, Marie
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Derek, Vedran
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering. Rudjer Boskovic Inst, Croatia.
    Glowacki, Eric
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Organic semiconductor perylenetetracarboxylic diimide (PTCDI) electrodes for electrocatalytic reduction of oxygen to hydrogen peroxide2018In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 54, no 16, p. 1960-1963Article in journal (Refereed)
    Abstract [en]

    Hydrogen peroxide is one of the most important industrial chemicals and there is great demand for the production of H2O2 usingmore sustainable and environmentally benign methods. We show electrochemical production of H2O2 by the reduction of O-2, enabled by an organic semiconductor catalyst, N,N-dimethyl perylenetetracarboxylic diimide (PTCDI). We make PTCDI cathodes that are capable of stable and reusable operation in aqueous electrolytes in a pH range of 1-13 with a catalytic figure of merit as high as 26 kg H2O2 per g catalyst per h. These performance and stability open new avenues for organic small molecule semiconductors as electrocatalysts.

  • 746.
    Webling, Kristin
    Stockholm University, Faculty of Science, Department of Neurochemistry.
    Galanin receptor ligands: Design, synthesis, characterization and biological effects2016Licentiate thesis, comprehensive summary (Other academic)
    Abstract [en]

    Galanin is a 29/30 amino acid long bioactive peptide discovered over 30 years ago when C-terminally amidated peptides were isolated from porcine intestines. The name galanin originates from a combination of the first and last amino acids - G from glycine and the rest from alanine. The first 15 amino acids are highly conserved among species which indicates that the N-terminus is important for receptor recognition and subsequent binding. Galanin exerts its effects by binding to three different G-protein coupled receptors, which all differ in regional distribution, the affinity for shortened galanin fragments, as well as the G-protein signaling cascade used. At the time of publication, galanin was found to cause muscle contraction as well as hyperglycemia.  Over the years, galanin has been reported to be involved in a wide variety of biological and pathological functions, for example epilepsy, food intake and depression.

    Determining the specific involvement of the three different galanin receptors in several biological and pathological processes is limited by the small amount of galanin receptor selective/specific ligands available as research tools. Furthermore, the fast degradation of peptides limits the administration routes in animal studies.

    This thesis aims at developing new galanin receptor-selective ligands to help delineate the involvement of the three different galanin receptors also known as the galaninergic system.

    Paper 1 demonstrates that the neuroprotective effects of galanin in a kainic acid induced excitotoxic animal model was mediated through galanin receptor 1. Furthermore, a new robust protocol for evaluating G-protein signaling using a label-free real time impedance technique was presented and compared to two different classical second-messenger assays.

    Paper 2 presents a series of systemically active galanin receptor 2 selective ligands subsequently evaluated in two different depression-like animal models.

    In conclusion, this thesis presents six new galanin ligands, which can be used to evaluate the galaninergic system as well as to investigate the possible use of peptides as pharmaceuticals.

  • 747.
    Wedin, Helena
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Wood Chemistry and Pulp Technology.
    Antonsson, Stefan
    Ragnar, Martin
    Lindström, Mikael E.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Wood Chemistry and Pulp Technology.
    Influence Of Xylan Content On The Oxygen Delignification Performance Of Eucalypt Kraft Pulps As Studied Using Prehydrolysis And Xylanase Treatments2012In: BioResources, ISSN 1930-2126, E-ISSN 1930-2126, Vol. 7, no 4, p. 5527-5541Article in journal (Refereed)
    Abstract [en]

    Common metrics for evaluating the efficiency of oxygen delignification include the kappa number and Klason lignin content. As a change in xylan content often leads to a change in HexA content, the kappa number must be corrected for the HexA contribution before evaluating the degree of oxygen delignification when trying to understand the process in detail. Questions could also be raised about the accuracy of the Klason lignin method for oxygen-delignified hardwood kraft pulps, since the amount of residual lignin is small in such pulp. This study investigates the influence of xylan content on oxygen delignification efficiency in Eucalyptus urograndis kraft pulps. Xylan content was varied using two methods: treatment with xylanase and with acid prehydrolysis for various times before kraft cooking. The degree of oxygen delignification, expressed as the HexA-corrected kappa number, indicated no significant trend with xylan removal, and no significant trend was evident when expressed as Klason lignin content.

  • 748.
    Wedin, Helena
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Wood Chemistry and Pulp Technology.
    Fiskari, Juha
    Kovasin, Kari
    Ragnar, Martin
    Lindström, Mikael E.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Wood Chemistry and Pulp Technology.
    Further insights into extended-impregnation kraft cooking of birch2012In: Nordic Pulp & Paper Research Journal, ISSN 0283-2631, E-ISSN 2000-0669, Vol. 27, no 5, p. 890-899Article in journal (Refereed)
    Abstract [en]

    Extended-impregnation kraft cooking (EIC) is a cooking concept that combines prolonged impregnation with modern improved modified kraft cooking. In the current investigation, the EIC cooking of birch was studied in relation to conventional kraft cooking. Specifically, the reject content and carbohydrate yield retention when terminating at a high cooking kappa number were examined. It was demonstrated that EIC cooking reduced the reject content. Unexpectedly, a high cooking kappa number led to no increase in carbohydrate yield, possibly due to the chemical composition of birch wood and the EIC cook lab procedure. A large amount of liquor was withdrawn after the impregnation, resulting in a loss of dissolved xylan that otherwise could have redeposited on the fibres and contributed to the carbohydrate yield. The effects of EIC cooking on extended oxygen delignification, bleaching chemical requirement in a D(OP)DP sequence, and strength properties were also examined. Compared with conventional lab cooking, EIC cooking resulted in a lower bleaching chemical requirement and similar strength properties.

  • 749.
    Wedin, Helena
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Wood Chemistry and Pulp Technology.
    Sevastyanova, Olena
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Wood Chemistry and Pulp Technology.
    Evtuguin, Dmitry
    Ragnar, Martin
    Lindström, Mikael E.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Wood Chemistry and Pulp Technology.
    Influence of extended-impregnation kraft cooking on the xylan structure of Eucalyptus urograndisManuscript (preprint) (Other academic)
  • 750.
    Wehbe, Mohamed
    et al.
    British Columbia Canc Res Ctr, Expt Therapeut, Vancouver, BC V5Z 1L3, Canada.;Univ British Columbia, Fac Pharmaceut Sci, Vancouver, BC, Canada..
    Anantha, Malathi
    British Columbia Canc Res Ctr, Expt Therapeut, Vancouver, BC V5Z 1L3, Canada..
    Backstrom, Ian
    British Columbia Canc Res Ctr, Expt Therapeut, Vancouver, BC V5Z 1L3, Canada..
    Leung, Ada
    British Columbia Canc Res Ctr, Expt Therapeut, Vancouver, BC V5Z 1L3, Canada.;Univ British Columbia, Dept Pathol & Lab Med, Vancouver, BC V5Z 1M9, Canada..
    Chen, Kent
    British Columbia Canc Res Ctr, Expt Therapeut, Vancouver, BC V5Z 1L3, Canada..
    Malhotra, Armaan
    British Columbia Canc Res Ctr, Expt Therapeut, Vancouver, BC V5Z 1L3, Canada..
    Edwards, Katarina
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Analytical Chemistry. Uppsala Univ, Dept Chem, 3 Husargatan B7, Uppsala, Sweden..
    Bally, Marcel B.
    British Columbia Canc Res Ctr, Expt Therapeut, Vancouver, BC V5Z 1L3, Canada.;Univ British Columbia, Fac Pharmaceut Sci, Vancouver, BC, Canada.;Univ British Columbia, Dept Pathol & Lab Med, Vancouver, BC V5Z 1M9, Canada.;Ctr Drug Res & Dev, Vancouver, BC, Canada..
    Nanoscale Reaction Vessels Designed for Synthesis of Copper-Drug Complexes Suitable for Preclinical Development2016In: PLoS ONE, ISSN 1932-6203, E-ISSN 1932-6203, Vol. 11, no 4, article id e0153416Article in journal (Refereed)
    Abstract [en]

    The development of copper-drug complexes (CDCs) is hindered due to their very poor aqueous solubility. Diethyldithiocarbamate (DDC) is the primary metabolite of disulfiram, an approved drug for alcoholism that is being repurposed for cancer. The anticancer activity of DDC is dependent on complexation with copper to form copper bis-diethyldithiocarbamate (Cu(DDC)(2)), a highly insoluble complex that has not been possible to develop for indications requiring parenteral administration. We have resolved this issue by synthesizing Cu(DDC)(2) inside liposomes. DDC crosses the liposomal lipid bilayer, reacting with the entrapped copper; a reaction that can be observed through a colour change as the solution goes from a light blue to dark brown. This method is successfully applied to other CDCs including the anti-parasitic drug clioquinol, the natural product quercetin and the novel targeted agent CX-5461. Our method provides a simple, transformative solution enabling, for the first time, the development of CDCs as viable candidate anticancer drugs; drugs that would represent a brand new class of therapeutics for cancer patients.

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