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  • 1.
    Abdi, Adel Hirmand
    KTH, School of Architecture and the Built Environment (ABE), Transportvetenskap, Väg- och banteknik.
    Key aspects in winter highway operation and maintenance2010Report (Other academic)
  • 2. Adia, Madina Mohamed
    et al.
    Emami, Seyedeh Noushin
    Byamukama, Robert
    Faye, Ingrid
    Borg-Karlson, Anna-Karin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Antiplasmodial activity and phytochemical analysis of extracts from selected Ugandan medicinal plants2016In: Journal of Ethnopharmacology, ISSN 0378-8741, E-ISSN 1872-7573, Vol. 186, 14-19 p.Article in journal (Refereed)
    Abstract [en]

    Ethnopharmacological relevance: Resistance of the parasites to known antimalarial drugs has provided the necessity to find new drugs from natural products against malaria. The aim of the study was to evaluate the in vitro antiplasmodial activity of some plants used by Traditional Medical Practitioners (TMPs) of Prometra and Rukararwe in malaria treatment in Uganda to provide scientific proof of the efficacies claimed by these Herbalists. Materials and methods: The air dried samples of Clerodendrum rotundifolium (leaves), Microglossa pyrifolia (leaves), Momordica foetida (leaves) and Zanthoxylum chalybeum (stem bark) used for malaria treatment by TMPs were successively extracted with ethyl acetate, methanol and water to yield twelve extracts. The extracts were tested against the chloroquine-sensitive (NF54) and chloroquine-resistant (FCR3) Plasmodium falciparum strains in vitro using the micro Mark III test which is based on assessing the inhibition of schizont maturation. A compound A was extracted and purified from the stem bark of Z. chalybeum and its structure was identified and confirmed by spectroscopic methods. Results: Most of the extracts tested (92%) showed an antiplasmodial activity with IC50 < 50 mu g/mL. In spite of successive extractions with different solvents, potent anti-plasmodial activity (IC50 < 5 mu g/mL) was observed in the ethyl acetate, methanol and aqueous extracts of M. pyrifolia and C. rotundifolium. Preferential enrichments of activity into water (IC50 < 15 mu g/mL) and Ethyl acetate (IC50 < 5 mu g/mL) were seen in the case of M. foetida and Z chalybeum respectively. The most active extracts were from C rotundifolium and M. pyrifolia with IC50 values less than 2 mu g/mL. Phytochemical analysis of the extracts revealed the presence of saponins, tannins, flavonoids, alkaloids and cardiac glycocides. Fagaramide isolated from Z chalybeum had a higher activity (IC50 2.85 mu g/mL) against the chloroquine-resistant strain than against the chloroquine-senstive (IC50 16.6 mu g/mL) strain used in the study. Conclusion: The plant extracts analysed in this study presented an average antiplasmodial activity (58%). This study revealed for the first time the antiplasmodial activity of the plant C. rotundofolium. It's the first time the compound fagaramide (N-isobutyl-3-(3,4-methylene dioxyphenyl) - 2E-propenamide) has been isolated from Z. chalybeum as one of the compounds that contribute to the activity of this plant against P. falciparum.

  • 3.
    Ahlquist, Mårten S. G.
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Wang, Ying
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Xue, Liqin
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Sanchez-de-Armas, Rocio
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Proton transfers in first row transition metal complexes2013In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 245, 1381-INOR- p.Article in journal (Other academic)
  • 4. Aidas, Kestutis
    et al.
    Olsen, Jogvan Magnus H.
    Kongsted, Jacob
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Photoabsorption of Acridine Yellow and Proflavin Bound to Human Serum Albumin Studied by Means of Quantum Mechanics/Molecular Dynamics2013In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 117, no 7, 2069-2080 p.Article in journal (Refereed)
    Abstract [en]

    Attempting to unravel mechanisms in optical probing of proteins, we have performed pilot calculations of two cationic chromophores-acridine yellow and proflavin-located at different binding sites within human serum albumin, including the two primary drug binding sites as well as a heme binding site. The computational scheme adopted involves classical molecular dynamics simulations of the ligands bound to the protein and subsequent linear response polarizable embedding density functional theory calculations of the excitation energies. A polarizable embedding potential consisting of point charges fitted to reproduce the electrostatic potential and isotropic atomic polarizabilities computed individually for every residue of the protein was used in the linear response calculations. Comparing the calculated aqueous solution-to-protein shifts of maximum absorption energies to available experimental data, we concluded that the cationic proflavin chromophore is likely not to bind albumin at its drug binding site I nor at its heme binding site. Although agreement with experimental data could only be obtained in qualitative terms, our results clearly indicate that the difference in optical response of the two probes is due to deprotonation, and not, as earlier suggested, to different binding sites. The ramifications of this finding for design of molecular probes targeting albumin or other proteins is briefly discussed.

  • 5.
    Akhlaghi, Shahin
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Pourrahimi, Amir Masoud
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Hedenqvist, Mikael
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Sjöstedt, C.
    Bellander, M.
    Gedde, Ulf
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Degradation of carbon-black-filled acrylonitrile butadiene rubber in alternative fuels: Transesterified and hydrotreated vegetable oils2016In: Polymer degradation and stability, ISSN 0141-3910, E-ISSN 1873-2321, Vol. 123, 69-79 p.Article in journal (Refereed)
    Abstract [en]

    The deterioration of acrylonitrile butadiene rubber (NBR), a common sealing material in automobile fuel systems, when exposed to rapeseed biodiesel and hydrotreated vegetable oil (HVO) was studied. The fuel sorption was hindered in HVO-exposed rubber by the steric constraints of bulky HVO molecules, but it was promoted in biodiesel-exposed rubber by fuel-driven cavitation in the NBR and by the increase in diffusivity of biodiesel after oxidation. The absence of a tan δ peak of the bound rubber and the appearance of carbon black particles devoid of rubber suggested that the cavitation was made possible in biodiesel-aged rubber by the detachment of bound rubber from particle surfaces. The HVO-exposed NBR showed a small decrease in strain-at-break due to the migration of plasticizer from the rubber, and a small increase in the Young’s modulus due to oxidative crosslinking. A drastic decrease in extensibility and Payne-effect amplitude of NBR on exposure to biodiesel was explained as being due to the damage caused by biodiesel to the continuous network of bound rubber-carbon black. A decrease in the ZnO crystal size with increasing exposure time suggested that the particles are gradually dissolved in the acidic components of oxidized biodiesel. The Zn2+ cations released from the dissolution of ZnO particles in biodiesel promoted the hydrolysis of the nitrile groups of NBR.

  • 6.
    Akpe, Victor
    et al.
    KTH, School of Engineering Sciences (SCI), Applied Physics.
    Vernet, Erik
    KTH, School of Biotechnology (BIO), Protein Technology.
    Madu, Christian
    Obirai, Joseph C.
    Brismar, Hjalmar
    KTH, School of Engineering Sciences (SCI), Applied Physics, Cell Physics.
    Understanding the Photochemical Pathway of In Vitro Target Delivery of Aluminium Phthalocyanine: A Mechanistic Approach Using Radical Reaction Chemistry2014In: ChemPlusChem, ISSN 2192-6506, Vol. 79, no 5, 671-679 p.Article in journal (Refereed)
    Abstract [en]

    A classical dye, aluminium phthalocyanine (AlPc), is used to study the photochemical processes involved in the chromophore-assisted laser inactivation technique. Both cell-free and cell-based systems are investigated by novel methods and radical reaction chemistry. Findings on the photochemical pathways in two models representing cell-free and a cell-based systems are reported. In the cell-free system, the unsubstituted, free, fluorescence-active photosensitiser AlPc recovers its fluorescence signal by means of phosphorescence through a reversible photobleaching process. In the cell-based system, photoactivation of substituted AlPc conjugated to an antibody results in the loss of fluorescence signal at the area examined. Reinjection of the AlPc-conjugated antibodies restores the fluorescence signal.

  • 7.
    Alberius, Peter Carl Anders
    et al.
    Procter & Gamble Company.
    Corkery, Robert W.
    Procter & Gamble Company.
    Dye-loaded particles.2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    Amorphous particles are provided comprising a homogeneous distribution of one or more dyes encapsulated by an amorphous, siliceous encapsulating agent, wherein the amorphous particle comprises from 3% to 20% dye, by wt. of the particle. [on SciFinder(R)]

  • 8. Alberius, Peter Carl Anders
    et al.
    Corkery, Robert W.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry (closed 20110630).
    Spray-drying process for the manufacture of dye-loaded particles.2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    According to a first aspect of the invention, a process is provided for the prepn. of amorphous particles comprising a homogeneous distribution of one or more dyes encapsulated by an amorphous, siliceous encapsulating agent, the process comprising: (a) providing a precursor of the encapsulating agent in liq. form; (b) providing the one or more dyes in liq. form; (c) mixing the liq. forms; (d) spraying the mixt. to form droplets comprising the one or more dyes and encapsulating agent; and (e) heating the droplets to form the particles comprising the one or more dyes encapsulated by the siliceous encapsulating agent; wherein at least one of the liq. forms provided is aq. and the or each aq. liq. form is acidic. According to a second aspect of the invention, encapsulated dyes made by the process of the first aspect of the invention are provided. [on SciFinder(R)]

  • 9.
    Alberius, Peter Carl Anders
    et al.
    Procter & Gamble Company.
    Corkery, Robert W.
    Procter & Gamble Company.
    Stephens, Alison Fiona.
    Procter & Gamble Company.
    Cosmetic compositions comprising dye-loaded particles.2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    According to the invention, a cosmetic compn. is provided comprising: (a) amorphous particles, each amorphous particle comprising a homogeneous distribution of one or more dyes encapsulated by an amorphous, siliceous encapsulating agent, wherein the amorphous particle comprises from 3% to 20%, preferably 5% to 15%, more preferably 8% to 12% dye, by wt. of the particle; (b) a cosmetically acceptable carrier. Silica loaded with tartrazine and other dyes are prepd. Cosmetic compns. such as lipsticks and mascaras are prepd. contg. encapsulated dyes, siloxanes and other ingredients. [on SciFinder(R)]

  • 10.
    Albertsson, Ann-Christine
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymer Technology.
    Edlund, Ulrica
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymer Technology.
    Wood hydrolysates turned valuable2012In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 243Article in journal (Other academic)
  • 11. Aldongarov, Anuar
    et al.
    Irgibaeva, Irina
    Hermansson, Kersti
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Theoretical study on passivation of small CdS clusters2014In: Molecular Physics, ISSN 0026-8976, E-ISSN 1362-3028, Vol. 112, no 5-6, 674-682 p.Article in journal (Refereed)
    Abstract [en]

    We use density functional theory quantum chemical calculations to model optical properties of small cadmium sulphide clusters in order to explore the formation of trap states and the possibility to achieve surface passivation. The addition of capping oxygen ions on the surface of the CdS quantum dots is found to passivate the single-bonded Cd atoms. Added Cu ions resulted in the formation of deep trap states for certain locations of the copper impurity, while removal of single-bonded Cd atoms by adding S or SH groups leads to a band gap increase.

  • 12.
    An, Junxue
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Dédinaité, Andra
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Nilsson, Anki
    Holgersson, Jan
    Claesson, Per M.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Comparison of a Brush-with-Anchor and a Train-of-Brushes Mucin on Poly(methyl methacrylate) Surfaces: Adsorption, Surface Forces, and Friction2014In: Biomacromolecules, ISSN 1525-7797, E-ISSN 1526-4602, Vol. 15, no 4, 1515-1525 p.Article in journal (Refereed)
    Abstract [en]

    Interfacial properties of two types of mucins have been investigated at the aqueous solution/poly(methyl methacrylate) (PMMA) interface. One is commercially available bovine submaxillary mucin, BSM, which consists of alternating glycosylated and nonglycosylated regions. The other one is a recombinant mucin-type fusion protein, PSGL-1/mIgG(2b), consisting of a glycosylated mucin part fused to the Fc part of an immunoglobulin. PSGL-1/mIgG(2b) is mainly expressed as a (timer upon production. A quartz crystal microbalance with dissipation was used to study the adsorption of the mucins to PMMA surfaces. The mass of the adsorbed mucin layers, including the adsorbed mucin and water trapped in the layer, was found to be significantly higher for PSGL-1/mIgG(2b) than for BSM. Atomic force microscopy with colloidal probe was employed to study interactions and frictional forces between mucin-coated PMMA surfaces. Purely repulsive forces of steric origin were Observed between PSGL-1/mIgG(2b) mucin layers, whereas a small adhesion was detected between BSM layers and attributed to bridging. Both mucin layers reduced the friction force between PMMA surfaces in aqueous solution. The reduction was, however, significantly more pronounced for PSGL-1/mIgG(2b). The effective friction coefficient between PSGL-1/mIgG(2b)-coated PMMA surfaces is as low as 0.02 at low loads, increasing to 0.24 at the highest load explored, 50 nN. In contrast, a friction coefficient of around 0.7 was obtained between BSM-coated PMMA surfaces. The large differences in interfacial properties for the two mucins are discussed in relation to their structural differences.

  • 13. An, Wei
    et al.
    Baber, Ashleigh E.
    Xu, Fang
    Soldemo, Markus
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Weissenrieder, Jonas
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Stacchiola, Dario
    Liu, Ping
    Mechanistic Study of CO Titration on CuxO/Cu(111) (x <= 2) Surfaces2014In: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 6, no 8, 2364-2372 p.Article in journal (Refereed)
    Abstract [en]

    The reducibility of metal oxides is of great importance to their catalytic behavior. Herein, we combined ambient-pressure scanning tunneling microscopy (AP-STM), X-ray photoemission spectroscopy (AP-XPS), and DFT calculations to study the CO titration of CuxO thin films supported on Cu(111) (CuxO/Cu(111)) aiming to gain a better understanding of the roles that the Cu(111) support and surface defects play in tuning catalytic performances. Different conformations have been observed during the reduction, namely, the 44 structure and a recently identified (5-7-7-5) Stone-Wales defects (5-7 structure). The DFT calculations revealed that the Cu(111) support is important to the reducibility of supported CuxO thin films. Compared with the case for the Cu2O(111) bulk surface, at the initial stage CO titration is less favorable on both the 44 and 5-7 structures. The strong CuxO <-> Cu interaction accompanied with the charge transfer from Cu to CuxO is able to stabilize the oxide film and hinder the removal of O. However, with the formation of more oxygen vacancies, the binding between CuxO and Cu(111) is weakened and the oxide film is destabilized, and Cu2O(111) is likely to become the most stable system under the reaction conditions. In addition, the surface defects also play an essential role. With the proceeding of the CO titration reaction, the 5-7 structure displays the highest activity among all three systems. Stone-Wales defects on the surface of the 5-7 structure exhibit a large difference from the 44 structure and Cu2O(111) in CO binding energy, stability of lattice oxygen, and, therefore, the reduction activity. The DFT results agree well with the experimental measurements, demonstrating that by adopting the unique conformation, the 5-7 structure is the active phase of CuxO, which is able to facilitate the redox reaction and the Cu2O/Cu(111)<-> Cu transition.

  • 14.
    Andersson, Nina
    et al.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Corkery, Robert W.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Alberius, Peter C. A.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    One-pot synthesis of well ordered mesoporous magnetic carriers2007In: Journal of Materials Chemistry, ISSN 0959-9428, E-ISSN 1364-5501, Vol. 17, no 26, 2700-2705 p.Article in journal (Refereed)
    Abstract [en]

    The facile preparation of a mesoporous magnetic carrier technology is demonstrated. The micron-sized spherical mesostructured particles are prepared using a newly-developed, one-step, combined emulsion and solvent evaporation (ESE) method. The surfactant-templated silica matrix display a well-ordered internal pore architecture. Very limited pore blocking, and only to a limited degree disordered- or worm-like structures are observed, induced by the iron oxide nanoparticles added to provide the superparamagnetic properties.The iron oxide content was precisely controlled, and themagnetic properties were well preserved during the process. Finally we demonstrate the applicability of the magnetically separable mesoporous material as an adsorbent for specific dissolved materials from dilute aqueous solutions.

  • 15.
    Andersson, Nina
    et al.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Kronberg, Bengt
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Corkery, Robert W.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Alberius, Peter
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Combined Emulsion and Solvent Evaporation (ESE) Synthesis Route to Well-Ordered Mesoporous Materials2007In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 23, no 3, 1459-1464 p.Article in journal (Refereed)
    Abstract [en]

    Control over morphol. and internal mesostructure of surfactant templated silicas remains a challenge, esp. when considering scaling lab. syntheses up to industrial vols. Here we report a method combining emulsification with the evapn.-induced self-assembly (EISA) method for prepg. spherical, mesoporous silica particles. This emulsion and solvent evapn. (ESE) method has several potential advantages over classic pptn. routes: it is easily scaled while providing superior control over stoichiometric homogeneity of templating surfactants and inorg. precursors, and particle sizes and distributions are detd. by principles developed for manipulating droplet sizes within water-in-oil emulsions. To demonstrate the method, triblock copolymer P104 is used as a templating amphiphile, generating unusually well-ordered 2D hexagonal (P6mm) mesoporous silica, while particle sizes and morphologies were controlled by varying the type of emulsifier and the method for emulsification. [on SciFinder(R)]

  • 16.
    Ankerfors, Caroline
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Johansson, Erik
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Pettersson, Torbjörn
    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.
    Wågberg, Lars
    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.
    Use of polyelectrolyte complexes and multilayers from polymers and nanoparticles to create sacrificial bonds between surfaces2013In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 391, 28-35 p.Article in journal (Refereed)
    Abstract [en]

    In this study, particle polyelectrolyte complexes (PPECs) were formed by mixing cationic polyacrylamide (CPAM) and silica nanoparticles using the jet mixing technique. Within certain limits, the size of the formed PPECs could be controlled. The aim was to prepare PPECs with embedded sacrificial bonds, similar to those found in bones. Examination of PPEC adsorption to silica model surfaces indicated that,smaller PPECs adsorbed to a higher level than larger ones, due to the higher diffusion speed of smaller complexes. Adsorption studies of the same components as in the PPECs, but arranged in multilayers, that is, particle polyelectrolyte multilayers (PPEMs), indicated a stable, gradual build-up of material on the surface with smaller nanoparticles, whereas PPEMs comprising elongated nanoparticles appeared to be more loosely adsorbed onto the surface when the nanoparticles were in the outer layer, due to repulsive forces within the adsorbed layer. The AFM colloidal probe technique was used to study the interaction between surfaces treated with PPECs, multilayers, or polyelectrolyte complexes (PECs). The results showed that the expected long-range disentanglement could be achieved with PPECs but that the pull-off forces were generally low. Treatment with PPEMs comprising the same polymer and nanoparticle components produced higher pull-off values, together with disentanglement behaviour, possibly due to better contact between the surfaces. Adhesion experiments with polymer PECs showed significantly higher pull-off values than with the PPECs, probably due to polymer interdiffusion across the surface boundary.

  • 17.
    Anoshkin, Ilya
    et al.
    KTH, School of Electrical Engineering (EES), Micro and Nanosystems.
    Nefedova, Irina
    Dmitri, Lioubtchenko
    KTH, School of Electrical Engineering (EES), Micro and Nanosystems.
    Nefedov, Igor
    Räisänen, Antti
    Single walled carbon nanotube quantification method employing the Raman signal intensity2017In: Carbon, ISSN 0008-6223, E-ISSN 1873-3891, Vol. 116, 547-552 p.Article in journal (Refereed)
    Abstract [en]

    A new technique for measuring the number of single walled carbon nanotubes (SWCNTs) and their concentration in a carbon nanotube layer is developed in this work. It is based on the G peak intensity of the Raman spectrum, together with precise mass and optical absorbance measurements. The dependence of the number of the carbon nanotubes on the phonon scattering intensity is observed. This method opens an opportunity for the quantitative mapping of sp2 carbon atom distribution in the SWCNT layers with a resolution limited by the focused laser spot size.

  • 18.
    Ansari, Farhan
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Galland, Sylvain
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Johansson, Mats K. G.
    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.
    Skrivfars, Mikael
    Plummer, Christopher
    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.
    Biocomposites of nanofibrillated cellulose with thermoset resins2014In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247, 41-CELL- p.Article in journal (Other academic)
  • 19. Ao, Xianyu
    et al.
    Wang, Xuyue
    Yin, Guanbo
    Dang, Kangkang
    Xue, Yali
    He, Sailing
    KTH, School of Electrical Engineering (EES), Electromagnetic Engineering. Zhejiang University, China.
    Broadband Metallic Absorber on a Non-Planar Substrate2015In: Small, ISSN 1613-6810, E-ISSN 1613-6829, Vol. 11, no 13, 1526-1530 p.Article in journal (Refereed)
    Abstract [en]

    Absorbers for visible and near-infrared light are realized by depositing a thin iron layer on arrays of cones which are replicated from a porous template. The replicated conic structure itself is of several micrometers and ineffective at antireflection, but the subsequent deposition of iron on top generates nanometer-size columnar structures, and thus broadband absorption enhancement is achieved.

  • 20. Arabasadi, Z.
    et al.
    Khorasani, M.
    Akhlaghi, Shahin
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Fazilat, H.
    Gedde, Ulf W.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Hedenqvist, Mikael S.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Shiri, M. E.
    Prediction and optimization of fireproofing properties of intumescent flame retardant coatings using artificial intelligence techniques2013In: Fire safety journal, ISSN 0379-7112, E-ISSN 1873-7226, Vol. 61, 193-199 p.Article in journal (Refereed)
    Abstract [en]

    A multi-structured architecture of artificial intelligence techniques including artificial neural network (ANN), adaptive neuro-fuzzy-inference-system (ANFIS) and genetic algorithm (GA) were developed to predict and optimize the fireproofing properties of a model intumescent flame retardant coating including ammonium polyphosphate, pentaerythritol, melamine, thermoplastic acrylic resin and liquid hydrocarbon resin. By implementing ANN on heat insulation results of coating samples, prepared based on a L16 orthogonal array, mean fireproofing time (MFPT) values were properly predicted. The predicted data were then proved to be valid through performing closeness examinations on fuzzy inference systems results regarding their experimental counterparts. However, the possible deviations tapped into phenomena like foam detachment and char cracking were alleviated by ANFIS modeling embedded with pertinent fuzzy rules based on the sole and associative practical role of used additives. The contribution of each intumescent coating component on the formulation with optimized fireproofing behavior was then explored using GA modeling. A similar optimization procedure was also conducted using conventional Taguchi experimental design but the GA based optimized intumescent coating was found to exhibit higher MFPT value than that suggested by the Taguchi method.

  • 21.
    Arjmand, Mehdi
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Chemical Engineering.
    Moreno, Luis
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Chemical Engineering.
    Liu, Longcheng
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Chemical Engineering.
    Energy Saving in Crude Oil Atmospheric Distillation Columns by Modifying the Vapor Feed Inlet Tray2011In: Chemical Engineering & Technology, ISSN 0930-7516, E-ISSN 1521-4125, Vol. 34, no 8, 1359-1367 p.Article in journal (Refereed)
    Abstract [en]

    Optimization of a typical crude oil atmospheric distillation unit and reduction of energy conservation were carried out through modifying the implementation and change in the flash zone of the tower. A conventional procedure in such units involves the combination of liquid and vapor product of the prefractionation train surge drum upon introduction to the tower. However, it is theoretically illustrated and represented by simulation means that introducing the vapor feed into the upper stages of the distillation column separately can lead to an energy saving of 12.6% in the condenser duty, an increased liquid-to-gas flow (L/G) at certain points of the column, and hence to a reduction in diameter and investment costs of new tower designs of approximately US$ 0.7 million a(-1). The proposal can be put into practice without the need of additional equipments or additional cost of difficult rerouting the streams. An industrial case study of a steadystate crude oil distillation unit is given by simulation provision of AspenHysys (TM).

  • 22.
    Arjmand, Mehdi
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology.
    Moreno, Luis
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology.
    Liu, Longcheng
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology.
    Optimization for energy conservation of crude oil atmospheric distillation columns by modifying vapour feed inlet tray from pre-fractionation train2010In: 2010 AIChE Annual Meeting, 2010Conference paper (Refereed)
    Abstract [en]

    Optimization of a typical crude oil atmospheric distillation unit and reduction of energy conservation were carried out through modifying the implementation and change in the flash zone of the tower. Conventional procedure in such units involves combination of liquid and vapour product of the pre-fractionation train surge drum upon insertion to the tower. However it is theoretically illustrated and represented by simulation means that introducing the vapour feed into the upper stages of the distillation column separately can lead to an energy saving of 12.6% in the condenser duty, increased liquid to gas flow (L/G) at certain points of the column and hence a reduction in diameter and investment costs of new tower designs of approximately 0.7 × 10 6 $/y. The proposal can be put into practice without the need of additional equipments or additional cost of difficult re-routing the streams. An industrial case study of a steady-state crude oil distillation unit is given by simulation provision of AspenHysys™.

  • 23.
    Arvidsson, Martin
    et al.
    Department of Psychology, Stockholm University.
    Skedung, Lisa
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Aikala, Maiju
    Oy Keskuslaboratorio - Centrallaboratorium Ab.
    Danerlöv, Katrin
    YKI Institute for Surface Chemistry.
    Kettle, John
    Oy Keskuslaboratorio - Centrallaboratorium Ab.
    Rutland, Mark
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Berglund, Birgitta
    Department of Psychology, Stockholm University.
    Haptic perception of fine surface texture: Psychophysical interpretation of the multidimensional spaceManuscript (preprint) (Other academic)
  • 24.
    Asiimwe, Savina
    et al.
    Makerere Univ, Sch Biosci, Kampala, Uganda.
    Borg-Karlson, Anna-Karin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Azeem, Muhammad
    Mugisha, Maud Kamatenesi
    Namutebi, Agnes
    Gakunga, Ndukui James
    Chemical composition and Toxicological evaluation of the aqueous leaf extracts of Plectranthus amboinicus Lour: Spreng2014In: International Journal of Pharmaceutical Science Invention, ISSN 2319-6718, Vol. 3, no 2, 19-27 p.Article in journal (Refereed)
  • 25.
    Asiimwe, Savina
    et al.
    Makerere Univ, Sch Biosci, Kampala, Uganda.
    Borg-Karlson, Anna-Karin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Azeem, Muhammad
    Sofrata, Abier Hamed
    Byamukama, Robert
    Mugisha, Maud Kamatenesi
    Namutebi, Agnes
    Chemical composition and antimicrobial evaluation of the essential oil and fractions obtained from Plectranthus amboinicus(Lour.): Spreng traditionally used in the management of HIV/AIDS opportunistic infectionsManuscript (preprint) (Other academic)
  • 26.
    Asiimwe, Savina
    et al.
    Makerere Univ, Sch Biosci, Kampala, Uganda.
    Namutebi, Agnes
    Borg-Karlson, Anna-Karin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Mugisha, Maud Kamatenesi
    Kakudidi, Esezah Kyomugisha
    Hannington, Ortem-Origa
    Documentation and consensus of indigenous knowledge on medicinal plants used by the local communities of western Uganda2014In: Journal of Natural Product and Plant Resource, ISSN 2231-3184, Vol. 4, no 1, 34-42 p.Article in journal (Refereed)
    Abstract [en]

    An ethnobotanical study was conducted to document the uses of medicinal plants among the local communities of western Uganda. The aim of the study was to identify and document plant species used for treatment of various ailments in the study areas, identify the commonly used plants, parts used, preparation and administration of herbal drugs. To find out the level of consensus or agreement between informants regarding the uses of plants for particular disease categories. Information on the plants was gathered between December 2010 and May 2011 from 124 informants using semi-structured interviews and discussions. For analysis of general use of plants, factor informant consensus (Fic) was used. The reported plants were collected and identified. The study revealed 231plant species belonging to 72 families and 164 genera. These plants were used to treat various diseases and ailments grouped under 14 ailment categories, with the highest number of species (127) being used for gastrointestinal disorders followed by reproductive health disorders (75). The factor informant consensus highlighted low agreement in the use of plants. The highest Fic (0.61) was scored for the digestive problems, such as intestinal worms, stomachache and constipation. Aloe vera was used for malaria with the highest frequency of mention (26 mentions). Herbs (55%) were the main source of medicine followed by shrubs (18%). Leaves (65%) and roots (19%) were the main plant parts used in remedy preparation while decoction was the major form of preparation. Family Asteraceae accounted for 16% of the total species recorded. The majority of plants (53%) were harvested from wild habitats. The most important species according to their fidelity are Senna occidentalis (L.) Link for deworming, Aloe vera L. for malaria, Maytenus senegalensis (Lam) Exell for syphilis and Senecio hadiensis Forssk for miscarriages.The low consensus means the majority of informants do not agree or exchange information on the use of plant species and this may require bioactivity screening to justify the use for the reported ailments. The documented information regarding therapeutic uses provides basic data for further studies focused on pharmacological studies and conservation of the most important species.

  • 27.
    Asiimwe, Savina
    et al.
    Makerere Univ, Sch Biosci, Kampala, Uganda.
    Namutebi, Agnes
    Mugisha, Maud Kamatenesi
    Borg-Karlson, Anna-Karin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Phytochemical screening, antioxidant activities and mineral composition of nutri-medicinal plants used in the management of opportunistic ailments in HIV/AIDS patientsManuscript (preprint) (Other academic)
  • 28. Assali, S.
    et al.
    Laehnemann, J.
    Vu, T. T. T.
    Jöns, Klaus
    KTH, School of Engineering Sciences (SCI), Applied Physics. Delft University of Technology, Netherlands.
    Gagliano, L.
    Verheijen, M. A.
    Akopian, N.
    Bakkers, E. P. A. M.
    Haverkort, J. E. M.
    Crystal Phase Quantum Well Emission with Digital Control2017In: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 17, no 10, 6062-6068 p.Article in journal (Refereed)
    Abstract [en]

    One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier. The energy spacing between the sharp emission lines is uniform and is defined by the addition of single ZB monolayers. The controlled growth of identical quantum wells with atomically flat interfaces at predefined positions featuring digitally tunable discrete emission energies may provide a new route to further advance entangled photons in solid state quantum systems.

  • 29.
    ASTORSDOTTER, JENNIFER
    et al.
    KTH, School of Chemical Science and Engineering (CHE).
    RICKNELL, JONAS
    KTH, School of Chemical Science and Engineering (CHE).
    YU, FIONA
    KTH, School of Chemical Science and Engineering (CHE).
    Forsgren, Axel
    KTH, School of Chemical Science and Engineering (CHE).
    Utformning av avgaskatalysator2015Independent thesis Basic level (degree of Bachelor), 10 credits / 15 HE creditsStudent thesis
    Abstract [sv]

    Naturgas är ett alternativ till oljebaserade bränslen. Ur ett miljöperspektiv är naturgasen fördelaktig eftersom den vid förbränning ger mindre utsläpp av miljöfarliga ämnen än olja. I en diesel dual-fuel motor används diesel och naturgas som bränsle. Naturgas består till största delen av metan. För att oskadliggöra den del av metangasen som inte förbränns i motorn krävs en avgaskatalysator som kan bryta ned det relativt stabila metanet vid låga temperaturer. Målet med det här kandidatexamensarbetet är att tillverka och testa tre olika avgaskatalysatorer för nedbrytning av metan. De tre katalysatorer som valdes för tillverkning och testning var Pd/Al2O3, Pd/SnO2 och In2O3/SnO2 (ITO). Valen baserade sig på att katalysatorerna som tillverkades skulle vara aktiva för nedbrytning av metan vid låga temperaturer. ITO sågs som en extra intressant kandidat eftersom In är billigare än ädelmetallen Pd. Pd/Al2O3 tillverkades med en kommersiell support och impregnering av Pd genom ”incipient wetness” (IW). Pd/SnO2 tillverkades på samma sätt. ITO tillverkades genom ”forward co-precipitation”. En monolit testades för varje katalysator. Vid ungefär 315 °C kunde 10 % omsättning av metan detekteras för alla tre katalysatorer. Pd/Al2O3 var den katalysator vars aktivitet förbättrades som mest då temperaturen ökade ytterligare. Katalysatorerna testades bara en gång. För att statistiskt säkerställa resultaten behöver upprepade tester göras. Resultaten överensstämmer delvis med tidigare studier. Slutsatsen av arbetet är att alla tre katalysatorer fungerar och att ITO skulle kunna vara en billigare men i övrigt likvärdig avgaskatalysator för en diesel dual-fuel lean burn motor vid 315 °C. Fler tester måste dock göras för att ta reda på om ITO verkligen är ett mer fördelaktigt alternativ. 

  • 30.
    Aulin, Christian
    et al.
    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.
    Karabulut, Erdem
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Tran, Amy
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Wågberg, Lars
    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.
    Lindström, Tom
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Transparent Nanocellulosic Multilayer Thin Films on Polylactic Acid with Tunable Gas Barrier Properties2013In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 5, no 15, 7352-7359 p.Article in journal (Refereed)
    Abstract [en]

    The layer-by-layer (LbL) deposition method was used for the build-up of alternating layers of nanofibrillated cellulose (NFC) or carboxymethyl cellulose (CMC) with a branched, cationic polyelectrolyte, polyethyleneimine (PEI) on flexible poly (lactic acid) (PLA) substrates. With this procedure, optically transparent nanocellulosic films with tunable gas barrier properties were formed. 50 layer pairs of PEI/NFC and PEI/CMC deposited on PLA have oxygen permeabilities of 0.34 and 0.71 cm(3).mu m/m(2).day.kPa at 23 degrees C and 50% relative humidity, respectively, which is in the same range as polyvinyl alcohol and ethylene vinyl alcohol. The oxygen permeability of these multilayer nanocomposites outperforms those of pure NFC films prepared by solvent-casting. The nanocellulosic LbL assemblies on PLA substrates was in detailed characterized using a quartz crystal microbalance with dissipation (QCM-D). Atomic force microscopy (AFM) reveals large structural differences between the PEI/NFC and the PEI/CMC assemblies, with the PEI/NFC assembly showing a highly entangled network of nanofibrils, whereas the PEI/CMC surfaces lacked structural features. Scanning electron microscopy images showed a nearly perfect uniformity of the nanocellulosic coatings on PLA, and light transmittance results revealed remarkable transparency of the LbL-coated PLA films. The present work demonstrates the first ever LbL films based on high aspect ratio, water-dispersible nanofibrillated cellulose, and water-soluble carboxymethyl cellulose polymers that can be used as multifunctional films and coatings with tailorable properties, such as gas barriers and transparency. Owing to its flexibility, transparency and high-performance gas barrier properties, these thin film assemblies are promising candidates for several large-scale applications, including flexible electronics and renewable packaging.

  • 31.
    Aulin, Christian
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Salazar-Alvarez, German
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Lindström, Tom
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    High strength, flexible and transparent nanofibrillated cellulose-nanoclay biohybrid films with tunable oxygen and water vapor permeability2012In: Nanoscale, ISSN 2040-3364, Vol. 4, no 20, 6622-6628 p.Article in journal (Refereed)
    Abstract [en]

    A novel, technically and economically benign procedure to combine vermiculite nanoplatelets with nanocellulose fibre dispersions into functional biohybrid films is presented. Nanocellulose fibres of 20 nm diameters and several micrometers in length are mixed with high aspect ratio exfoliated vermiculite nanoplatelets through high-pressure homogenization. The resulting hybrid films obtained after solvent evaporation are stiff (tensile modulus of 17.3 GPa), strong (strength up to 257 MPa), and transparent. Scanning electron microscopy (SEM) shows that the hybrid films consist of stratified nacre-like layers with a homogenous distribution of nanoplatelets within the nanocellulose matrix. The oxygen barrier properties of the biohybrid films outperform commercial packaging materials and pure nanocellulose films showing an oxygen permeability of 0.07 cm(3) mu m m(-2) d(-1) kPa(-1) at 50% relative humidity. The oxygen permeability of the hybrid films can be tuned by adjusting the composition of the films. Furthermore, the water vapor barrier properties of the biohybrid films were also significantly improved by the addition of nanoclay. The unique combination of excellent oxygen barrier behavior and optical transparency suggests the potential of these biohybrid materials as an alternative in flexible packaging of oxygen sensitive devices such as thin-film transistors or organic light-emitting diode displays, gas storage applications and as barrier coatings/laminations in large volume packaging applications.

  • 32.
    Aulin, Christian
    et al.
    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.
    Ström, Göran
    Multilayered Alkyd Resin/Nanocellulose Coatings for Use in Renewable Packaging Solutions with a High Level of Moisture Resistance2013In: Industrial & Engineering Chemistry Research, ISSN 0888-5885, E-ISSN 1520-5045, Vol. 52, no 7, 2582-2589 p.Article in journal (Refereed)
    Abstract [en]

    A surprisingly simple and rapid methodology for large-area, lightweight, and thin laminate coatings with remarkable moisture barrier properties is introduced. Commercially available paperboards are coated with thin layers of nanocellulose. The nanocellulose coating induces a surface smoothening effect on the coated sheets as characterized by environmental scanning electron microscopy and white light interferometry. A moisture-protective layer of renewable alkyd resins is deposited on the nanocellulose precoated sheets using a water-borne dispersion coating process or lithographic printing. Through an auto-oxidation process, the applied alkyd resins are transformed into moisture sealant layers. The moisture barrier properties are characterized in detail by water vapor permeability measurements at different levels of relative humidity. The water vapor barrier properties of the nanocellulose precoated substrates were significantly improved by thin layers of renewable alkyd resins. The effect of the alkyd resin properties, coating technologies, and base paper substrates on the final barrier performance of the sheets were studied. It was found that the nanocellulose coating had a notable effect on the homogeneity and barrier performance of the alkyd resin layers and in particular those alkyd resin layers that were applied by printing. The concept is environmentally friendly, energy-efficient, and economic and is ready for scaling-up via continuous roll-to-roll processes. Large-scale renewable coatings applicable for sustainable packaging solutions are foreseen.

  • 33.
    Azeem, Muhammad
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Borg-Karlson, Anna Karin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Kuttuva Rajarao, Gunaratna
    KTH, School of Biotechnology (BIO), Industrial Biotechnology.
    Sustainable bio-production of styrene from forest waste2013In: Bioresource Technology, ISSN 0960-8524, E-ISSN 1873-2976, Vol. 144, 684-688 p.Article in journal (Refereed)
    Abstract [en]

    A strain of Penicillium expansum was studied for the production of styrene using forest waste biomass as a feeding substrate. The fungal strain was cultivated on bark of various trees supplemented with yeast extract and the volatiles produced were collected on Tenax TA and analyzed by gas chromatography-mass spectrometry. Fungus cultured on grated soft bark of pine (Pinus sylvestris) stems (GPB) and mature bark of oak (Quercus robur) supplemented with yeast extract produced relatively the highest amounts of styrene. The maximum styrene production rate was 52.5 mu g/h, 41 mu g/h and 27 mu g/h from fungus cultivated on 50 mL liquid media with 10 g GPB or mature bark of oak and potato dextrose broth respectively. These promising results suggest that the fungal strain could be used to produce "green" styrene plastics using renewable forest waste biomass.

  • 34. Badri, Zahra
    et al.
    Pathak, Shubhrodeep
    Fliegl, Heike
    Rashidi-Ranjbar, Parviz
    Bast, Radovan
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Marek, Radek
    Foroutan-Nejad, Gina
    Ruud, Kenneth
    All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters2013In: Journal of Chemical Theory and Computation, ISSN 1549-9618, E-ISSN 1549-9626, Vol. 9, no 11, 4789-4796 p.Article in journal (Refereed)
    Abstract [en]

    We present new insight into the nature of aromaticity in metal clusters. We give computational arguments in favor of using the ring-current model over local indices, such as nucleus independent chemical shifts, for the determination of the magnetic aromaticity. Two approaches for estimating magnetically induced ring currents are employed for this purpose, one based on the quantum theory of atoms in molecules (QTAIM) and the other where magnetically induced current densities (MICD) are explicitly calculated. We show that the two-zone aromaticity/antiaromaticity of a number of 3d metallic clusters (Sc-3(-), Cu-3(+), and Cu-4(2-)) can be explained using the QTAIM-based magnetizabilities. The reliability of the calculated atomic and bond magnetizabilities of the metallic clusters are verified by comparison with MICD computed at the multiconfiguration self-consistent field (MCSCF) and density functional levels of theory. Integrated MCSCF current strength susceptibilities as well as a visual analysis of the calculated current densities confirm the interpretations based on the QTAIM magnetizabilities. In view of the new findings, we suggest a simple explanation based on classical electromagnetic theory to explain the anomalous magnetic shielding in different transition metal clusters. Our results suggest that the nature of magnetic aromaticity/antiaromaticity in transition-metal clusters should be assessed more carefully based on global indices.

  • 35.
    Bahar, Babak
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science.
    Odnevall Wallinder, Inger
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science.
    Leygraf, Christofer
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science.
    Corrosion-induced copper release from rain gutters2008In: Metall (Berlin. 1947), ISSN 0026-0746, Vol. 62, no 3, 129-135 p.Article in journal (Refereed)
    Abstract [en]

    While runoff rates from copper roofs have been extensively studied during the last years, corresponding studies from copper rain gutters have been missing. A laboratory investigation has been undertaken to examine the influence of important runoff water parameters on the copper runoff from rain gutters. At a given rainfall quantity, the release rate of copper increases with decreasing runoff water intensity and decreasing degree of gutter inclination, and with increasing runoff acidity and increasing Cu2+-ion concentration in the runoff water. A comparison of the predicted long-term copper release from the gutter-system compared to the roof on a real building suggests that less than 5% of the total copper runoff originates from the gutter. However, single rain events may result in higher release rates, especially during the initial rain portion.

  • 36. Baias, Maria
    et al.
    Dumez, Jean-Nicolas
    Svensson, Per Henrik
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Schantz, Staffan
    Day, Graeme M.
    Emsley, Lyndon
    De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography2013In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 135, no 46, 17501-17507 p.Article in journal (Refereed)
    Abstract [en]

    The crystal structure of form 4 of the drug 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid is determined using a protocol for NMR powder crystallography at natural isotopic abundance combining solid-state H-1 NMR spectroscopy, crystal structure prediction, and density functional theory chemical shift calculations. This is the first example of NMR crystal structure determination for a molecular compound of previously unknown structure, and at 422 g/mol this is the largest compound to which this method has been applied so far.

  • 37.
    Bergenstrahle-Wohlert, Malin
    et al.
    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.
    Vibrational spectrum of the cellulose-water interface investigated by atomistic simulations2014In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247, 190-CELL- p.Article in journal (Other academic)
  • 38.
    Berger, Patricia Sara
    et al.
    Procter & Gamble Company.
    Song, Brian Xiaoqing
    Procter & Gamble Company.
    Schwartz, James Robert
    Procter & Gamble Company.
    Corkery, Robert W.
    Procter & Gamble Company.
    Methods for treating glassware surfaces using corrosion protection agents.2004Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    A domestic, institutional, industrial, and/or com. method of reducing glassware surface corrosion in an automatic dishwashing appliance comprises the step of contacting a glassware surface with a corrosion protection agent comprising: (a) an effective amt. of a zinc-contg. layered material, said material having a particle size in the range of about 1 nm to about 100 nm and a crystallinity value of from about 0.4 to about 0.8625 FWHM units, at a 200 reflective peak; and (b) optionally, an adjunct ingredient and (c) a dispersant polymer: said contacting being done at a pH greater than 9 to about 14. Methods using corrosion protection agents that form a part of a treatment system and/or are incorporated in a compn. of matter are also provided. [on SciFinder(R)]

  • 39.
    Berger, Patricia Sara
    et al.
    Procter & Gamble Company.
    Song, Brian Xiaoqing
    Procter & Gamble Company.
    Schwartz, James Robert
    Procter & Gamble Company.
    Corkery, Robert William.
    Procter & Gamble Company.
    Zinc corrosion protection agents for treating glassware surfaces2006Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    Corrosion protection agents for treating glassware surfaces, for example dishes and glasses, esp. corrosion protection agents comprising zinc-contg. materials are provided. Treatment systems and compn. of matter, which incorporate these corrosion protection agents, are also provided. [on SciFinder(R)]

  • 40. Berggren, D.
    et al.
    Bertling, Sofia
    KTH, Superseded Departments, Materials Science and Engineering.
    Heijerick, D.
    Herting, Gunilla
    KTH, Superseded Departments, Materials Science and Engineering.
    Koundakjian, P.
    Leygraf, Christofer
    KTH, Superseded Departments, Materials Science and Engineering.
    Odnevall Wallinder, Inger
    KTH, Superseded Departments, Materials Science and Engineering.
    Release of Chromium, Nickel and Iron from Stainless Steel Exposed under Atmospheric Conditions and The Environmental Interaction of these Metals: A Combined Field and Laboratory Investigation2004Report (Other academic)
  • 41.
    Berglund, Per
    et al.
    KTH, School of Biotechnology (BIO), Biochemistry (closed 20130101).
    Svedendahl Humble, Maria
    Branneby, Cecilia
    7.18 C-X Bond Formation: Transaminases as Chiral Catalysts: Mechanism, Engineering, and Applications2012In: Comprehensive Chirality, Elsevier, 2012, Vol. 7, 390-401 p.Chapter in book (Refereed)
    Abstract [en]

    Enantiomerically pure amines and amino acids are important building blocks in academic research as well as in industrial-scale chemical production. Transaminases are versatile enzymes providing access to such compounds of high enantiomeric excess. This chapter illustrates the available strategies with transaminases such as kinetic resolution or stereoselective synthesis and highlights many successful examples for amino acid and chiral amines synthesis. There are some known challenges linked to the use of transaminases, for example in terms of unfavorable equilibria and inhibition. Several successful examples to overcome these limitations are presented. Also, the classification of transaminases, mechanistic details, and various strategies for optimization are discussed.

  • 42.
    Bergström, L. Magnus
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Skoglund, Sara
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Edwards, Katarina
    Eriksson, Jonny
    Grillo, Isabelle
    Spontaneous Transformations between Surfactant Bilayers of Different Topologies Observed in Mixtures of Sodium Octyl Sulfate and Hexadecyltrimethylammonium Bromide2014In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 30, no 14, 3928-3938 p.Article in journal (Refereed)
    Abstract [en]

    The influence of adding salt on the self-assembly in sodium octyl sulfate (SOS)-rich mixtures of the anionic surfactant SOS and the cationic surfactant hexadecyltrimethylammonium bromide (CTAB) have been investigated with the two complementary techniques, small-angle neutron scattering (SANS) and cryo-transmission electron microscopy. We are able to conclude that addition of a substantial amount of inert salt, NaBr, mainly has three effects on the structural behaviors: (i) the micelles become much larger at the transition from micelles to bilayers, (ii) the fraction of bilayer disks increases at the expense of vesicles, and (iii) bilayer aggregates perforated with holes are formed in the most diluted samples. A novel form factor valid for perforated bilayer vesicles and disks is introduced for the first time and, as a result, we are able to directly observe the presence of perforated bilayers by means of fitting SANS data with an appropriate model. Moreover, we are able to conclude that the morphology of bilayer aggregates changes according to the following sequence of different bilayer topologies, vesicles --> disks --> perforated bilayers, as the electrolyte concentration is increased and surfactant mole fraction in the bilayer aggregates approaches equimolarity. We are able to rationalize this sequence of transitions as a result of a monotonous increase of the bilayer saddle-splay constant ((k) over bar (bi)(c)) with decreasing influence from electrostatics, in agreement with theoretical predictions as deduced from the Poisson-Boltzmann theory.

  • 43. Beye, Martin
    et al.
    Oberg, Henrik
    Xin, Hongliang
    Dakovski, Georgi L.
    Dell'Angela, Martina
    Foehlisch, Alexander
    Gladh, Jorgen
    Hantschmann, Markus
    Hieke, Florian
    Kaya, Sarp
    Kuehn, Danilo
    LaRue, Jerry
    Mercurio, Giuseppe
    Minitti, Michael P.
    Mitra, Ankush
    Moeller, Stefan P.
    Ng, May Ling
    Nilsson, Anders
    Nordlund, Dennis
    Norskov, Jens
    Ostrom, Henrik
    Ogasawara, Hirohito
    Persson, Mats
    Schlotter, William F.
    Sellberg, Jonas A.
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics.
    Wolf, Martin
    Abild-Pedersen, Frank
    Pettersson, Lars G. M.
    Wurth, Wilfried
    Chemical Bond Activation Observed with an X-ray Laser2016In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 7, no 18, 3647-3651 p.Article in journal (Refereed)
    Abstract [en]

    The concept of bonding and antibonding orbitals is fundamental in chemistry. The population of those orbitals and the energetic difference between the two reflect the strength of the bonding interaction. Weakening the bond is expected to reduce this energetic splitting, but the transient character of bond-activation has so far prohibited direct experimental access. Here we apply time-resolved soft X-ray spectroscopy at a free electron laser to directly observe the decreased bonding antibonding splitting following bond-activation using an ultrashort optical laser pulse.

  • 44.
    Bhagavathiachari, Muthuraaman
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Elumalai, Viswanathan
    Vlachopoulos, Nick
    Safdari, Majid
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Gao, Jiajia
    KTH, School of Chemical Science and Engineering (CHE), Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Gardner, James M.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    A quasi-liquid polymer-based cobalt redox mediator electrolyte for dye-sensitized solar cells2013In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 15, no 40, 17419-17425 p.Article in journal (Refereed)
    Abstract [en]

    Recently, cobalt redox electrolyte mediators have emerged as a promising alternative to the commonly used iodide/triiodide redox shuttle in dye-sensitized solar cells (DSCs). Here, we report the successful use of a new quasi-liquid, polymer-based electrolyte containing the Co3+/Co2+ redox mediator in 3-methoxy propionitrile solvent in order to overcome the limitations of high cell resistance, low diffusion coefficient and rapid recombination losses. The performance of the solar cells containing the polymer based electrolytes increased by a factor of 1.2 with respect to an analogous electrolyte without the polymer. The performances of the fabricated DSCs have been investigated in detail by photovoltaic, transient electron measurements, EIS, Raman and UV-vis spectroscopy. This approach offers an effective way to make high-performance and long-lasting DSCs.

  • 45.
    Biler, Michal
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Biedermann, David
    Valentova, Katerina
    Kren, Vladimir
    Kubala, Martin
    Quercetin and its analogues: optical and acido-basic properties2017In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 39, 26870-26879 p.Article in journal (Refereed)
    Abstract [en]

    This study is focused on eight structurally analogous natural flavonoids that exhibit a wide range of biological activities, which are of interest in pharmacy, cosmetics and the food industry. Using both experimental and theoretical approaches, we relate their fundamental physico-chemical properties to the structural motifs, with particular focus on UV/Vis absorption properties and pH dependence. We highlight the role of the C2-C3 double bond, whose presence or absence is responsible for the switch between absorption bands in the UVB and UVA regions, which is rationalized by strong modification of the involved molecular orbitals. After deprotonation in an alkaline environment, a typical switch in intensity at the maximum absorption wavelength (lambda(max)) is observed enabling the calculation of pK(a) values for compounds with a C2-C3 single bond, whereas a bathochromic shift of lambda(max) vs. pH is observed for the C2-C3 double bond containing compounds. These behaviors are also rationalized and understood by MO analysis. Interestingly, high pH (above 11 for ampelopsin and above 9 for myricetin) induces the formation of a long-wavelength peak arising from double and/or triple deprotonation. Substitution at position C3 by the OH group has almost no effect on lambda(max) for taxifolin and eriodictyol, whereas the effect is larger for quercetin and luteolin. An additional sugar moiety at C3 has a stabilizing effect and induces only minor changes in spectral behavior.

  • 46.
    Björkbacka, Åsa
    KTH, School of Chemical Science and Engineering (CHE).
    Radiation induced corrosion of copper2011Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
    Abstract [en]

    The Swedish concept for storage of highly radioactive spent nuclear fuel is called the KBS-3 program. The proposed procedure is that the waste will be stored in a deep repository, 500 meters down in the Swedish bedrock, for 100 000 years. The fuel will be sealed inside cast iron cylinders surrounded by copper. The iron-copper canisters will then be placed one by one in holes and embedded in bentonite clay. The environment in the deep repository will be that of an underground rock cave, there will be groundwater and low amounts of oxygen present.

    Substances which are likely to react with the copper canister and cause corrosion are oxygen, sulphides and reactive water radiolysis products. Gamma radiation from the spent nuclear fuel will penetrate through the canister and further into the bentonite clay. When the gamma radiation comes in contact with the water in the bentonite clay, water radiolysis will occur. Corrosive radiolysis products are for example hydroxyl radicals, solvated electrons and hydrogen peroxide.

    The main purpose of this work was to study the effect of gamma radiation on copper pieces, in an aqueous environment, both under oxic and anoxic conditions. The surfaces of the copper pieces were characterized using scanning electron microscopy (SEM) and infrared absorption spectroscopy (IRAS). The dissolution of copper was measured using inductively coupled plasma spectroscopy (ICP).

    A second study was also performed where the reactions of three different oxidants; hydrogen peroxide, permanganate and iridium hexachloride, were studied in the presence of copper in an inert environment. All of the reactions were studied spectrophotometrically and the dissolution of copper was measured using inductively coupled plasma spectroscopy (ICP).

    The SEM measurements showed corrosion products on the irradiated copper pieces both under oxic and anoxic conditions. Under anoxic conditions the corrosion products had a center of a small cavity which was surrounded by a larger, flat, circular area. From that area, wider cavities were spreading out in apparently random directions. SEM-EDS measurements detected oxygen on the surface of the corrosion products. ICP measurements of the water phase showed that the water from irradiated samples contained higher levels of copper than unirradiated samples. ICP measurements from the reactions of copper in the presence of oxidants showed that copper was only dissolved in the presence of iridium hexachloride.

    These results show that gamma radiation causes corrosion of copper in an aqueous environment, both under oxic and anoxic conditions. It can also be concluded that hydrogen peroxide is not the radiolysis product that causes the dissolution of copper when copper is irradiated in an aqueous and inert environment.

  • 47.
    Bohn Lima, Raquel
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Li, Jiebing
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Khan, Mohammed A.
    Core-shell ceria-carbonates nanocomposite electrolyte for Lignin based fuel cell2014In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247, 66-ENFL- p.Article in journal (Other academic)
  • 48. Bosmans, Toon J.
    et al.
    Stepan, Agnes M.
    Toriz, Guillermo
    Renneckar, Scott
    Karabulut, Erdem
    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.
    Wågberg, Lars
    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.
    Gatenholm, Paul
    Nanoparticles based on linear xylans and their assembly onto cellulose surfaces2014In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247, 207-CELL- p.Article in journal (Other academic)
  • 49.
    Boström, Fanny
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Industrial Ecology.
    Lundström, Johanna
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Industrial Ecology.
    Biokols struktur och dess förmåga att adsorbera näringsämnen2017Independent thesis Basic level (degree of Bachelor), 10 credits / 15 HE creditsStudent thesis
    Abstract [en]

    The aim of this project is to create a deeper understanding of biochar’s ability to adsorbnutrients. In the long run the aim is to find a way to use the most suitable structures of biocharfor a maximum adsorption of different kinds of nutrients. The objective of this project is tofind, through case studies and practical experiments, an effective method to examine andanalyze the structure of biochars and their ability to adsorb nitrates and phosphates.

    The conclusion of the project was that analysis of the biochar’s ability to adsorb is a complexmatter. The BET-analysis is a good method to find the structure of the biochar. However, iodinenumber analysis could be a better alternative to directly find a value on the biochar’s ability toadsorb. The ICP-analysis of the solutions only works for phosphor, therefore spectroscopywould be a better alternative since it also can detect nitrogen and the different compounds.

  • 50.
    Boujemaoui, Assya
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Sanchez, Carmen Cobo
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Engström, Joakim
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Bruce, Carl
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Fogelström, Linda
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Carlmark, Anna
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology. RISE Innventia AB, Stockholm, Sweden.
    Malmström, Eva
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Polycaprolactone Nanocomposites Reinforced with Cellulose Nanocrystals Surface-Modified via Covalent Grafting or Physisorption: A Comparative Study2017In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 9, no 40, 35305-35318 p.Article in journal (Refereed)
    Abstract [en]

    In the present work, cellulose nanocrystals (CNCs) have been surface-modified either via covalent grafting or through physisorption of poly(n-butyl methacrylate) (PBMA) and employed as reinforcement in PCL. Covalent grafting was achieved by surface-initiated atom transfer radical polymerization (SI-ATRP). Two approaches were utilized for the physisorption: using either micelles of poly(dimethyl aminoethyl methacrylate)-block-poly(n-butyl methacrylate) (PDMAEMA-b-PBMA) or latex nanoparticles of poly(dimethyl aminoethyl methacrylate-co-methacrylic acid)-block-poly(n-butyl methacrylate) (P(DMAEMA-co-MAA)-b-PBMA). Block copolymers (PDMAEMA-b-PBMA)s were obtained by ATRP and subsequently micellized. Latex nanoparticles were produced via reversible addition-fragmentation chain-transfer (RAFT) mediated surfactant-free emulsion polymerization, employing polymer-induced self-assembly (PISA) for the particle formation. For a reliable comparison, the amounts of micelles/latex particles adsorbed and the amount of polymer grafted onto the CNCs were kept similar. Two different chain lengths of PBMA were targeted, below and above the critical molecular weight for chain entanglement of PBMA (M-n,M-c similar to 56 000 g mo1(-1)). Poly(epsilon-caprolactone) (PCL) nanocomposites reinforced with unmodified and modified CNCs in different weight percentages (0.5, 1, and 3 wt %) were prepared via melt extrusion. The resulting composites were evaluated by UV-vis, scanning electron microscopy (SEM), thermal gravimetric analysis (TGA), and tensile testing. All materials resulted in higher transparency, greater thermal stability, and stronger mechanical properties than unfilled PCL and nanocomposites containing unmodified CNCs. The degradation temperature of PCL reinforced with grafted CNCs was higher than that of micelle-modified CNCs, and the latter was higher than that of latex-adsorbed CNCs with a long PBMA chain length. The results clearly indicate that covalent grafting is superior to physisorption with regard to thermal and mechanical properties of the final nanocomposite. This unique study is of great value for the future design of CNC-based nanocomposites with tailored properties.

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