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  • 1. A. Hosseini, V.
    et al.
    Karlsson, L.
    Örnek, Cem
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. Swerea KIMAB AB.
    Reccagni, P.
    Wessman, S.
    Engelberg, D.
    Microstructure and functionality of a uniquely graded super duplex stainless steel designed by a novel arc heat treatment method2018In: Materials Characterization, ISSN 1044-5803, E-ISSN 1873-4189, Vol. 139, p. 390-400Article in journal (Refereed)
    Abstract [en]

    A novel arc heat treatment technique was applied to design a uniquely graded super duplex stainless steel (SDSS), by subjecting a single sample to a steady state temperature gradient for 10 h. A new experimental approach was used to map precipitation in microstructure, covering aging temperatures of up to 1430 °C. The microstructure was characterized and functionality was evaluated via hardness mapping. Nitrogen depletion adjacent to the fusion boundary depressed the upper temperature limit for austenite formation and influenced the phase balance above 980 °C. Austenite/ferrite boundaries deviating from Kurdjumov–Sachs orientation relationship (OR) were preferred locations for precipitation of σ at 630–1000 °C, χ at 560–1000 °C, Cr2N at 600–900 °C and R between 550 °C and 700 °C. Precipitate morphology changed with decreasing temperature; from blocky to coral-shaped for σ, from discrete blocky to elongated particles for χ, and from polygonal to disc-shaped for R. Thermodynamic calculations of phase equilibria largely agreed with observations above 750 °C when considering nitrogen loss. Formation of intermetallic phases and 475 °C-embrittlement resulted in increased hardness. A schematic diagram, correlating information about phase contents, morphologies and hardness, as a function of exposure temperature, is introduced for evaluation of functionality of microstructures.

  • 2.
    Abdelhamid, Hani Nasser
    et al.
    Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden.;Assiut Univ, Dept Chem, Adv Multifunct Mat Lab, Assiut 71515, Egypt..
    El-Zohry, Ahmed M.
    Uppsala Univ, Dept Chem, Angstrom Labs, POB 523, S-75120 Uppsala, Sweden..
    Cong, Jiayan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Thersleff, Thomas
    Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden..
    Karlsson, Karl Martin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Kloo, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Zou, Xiaodong
    Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden..
    Towards implementing hierarchical porous zeolitic imidazolate frameworks in dye-sensitized solar cells2019In: Royal Society Open Science, E-ISSN 2054-5703, Vol. 6, no 7, article id 190723Article in journal (Refereed)
    Abstract [en]

    A one-pot method for encapsulation of dye, which can be applied for dye-sensitized solar cells (DSSCs), and synthesis of hierarchical porous zeolitic imidazolate frameworks (ZIF-8), is reported. The size of the encapsulated dye tunes the mesoporosity and surface area of ZIF-8. The mesopore size, Langmuir surface area and pore volume are 15 nm, 960-1500 m(2). g(-1) and 0.36-0.61 cm(3). g(-1), respectively. After encapsulation into ZIF-8, the dyes show longer emission lifetimes (greater than 4-8-fold) as compared to the corresponding non-encapsulated dyes, due to suppression of aggregation, and torsional motions.

  • 3.
    Abellan-Flos, Marta
    et al.
    Univ Namur, Dept Chim, Lab Chim Bioorgan, Rue Bruxelles 61, B-5000 Namur, Belgium.;PSL Univ, CNRS, ESPCI Paris, Mol Macromol Chem & Mat, 10 Rue Vauquelin, F-75005 Paris, France..
    Timmer, Brian J. J.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Altun, Samuel
    Attana AB, Bjornnasvagen 21, S-11419 Stockholm, Sweden..
    Aastrup, Teodor
    Attana AB, Bjornnasvagen 21, S-11419 Stockholm, Sweden..
    Vincent, Stephane P.
    Univ Namur, Dept Chim, Lab Chim Bioorgan, Rue Bruxelles 61, B-5000 Namur, Belgium..
    Ramström, Olof
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry. Univ Massachusetts, Dept Chem, One Univ Ave, Lowell, MA 01854 USA.;Linnaeus Univ, Dept Chem & Biomed Sci, SE-39182 Kalmar, Sweden..
    QCM sensing of multivalent interactions between lectins and well-defined glycosylated nanoplatforms2019In: Biosensors & bioelectronics, ISSN 0956-5663, E-ISSN 1873-4235, Vol. 139, article id 111328Article in journal (Refereed)
    Abstract [en]

    Quartz crystal microbalance (QCM) methodology has been adopted to unravel important factors contributing to the "cluster glycoside effect" observed in carbohydrate-lectin interactions. Well-defined, glycosylated nanostructures of precise sizes, geometries and functionalization patterns were designed and synthesized, and applied to analysis of the interaction kinetics and thermodynamics with immobilized lectins. The nanostructures were based on Borromean rings, dodecaamine cages, and fullerenes, each of which carrying a defined number of carbohydrate ligands at precise locations. The synthesis of the Borromeates and dodecaamine cages was easily adjustable due to the modular assembly of the structures, resulting in variations in presentation mode. The binding properties of the glycosylated nanoplatforms were evaluated using flow-through QCM technology, as well as hemagglutination inhibition assays, and compared with dodecaglycosylated fullerenes and a monovalent reference. With the QCM setup, the association and dissociation rate constants and the associated equilibrium constants of the interactions could be estimated, and the results used to delineate the multivalency effects of the lectin-nanostructure interactions.

  • 4.
    Abreu, Barbara
    et al.
    Univ Porto, Fac Sci, Dept Chem & Biochem, CIQUP, Rua Campo Alegre, P-4169007 Porto, Portugal..
    Rocha, Jessica
    Univ Porto, Fac Sci, Dept Chem & Biochem, CIQUP, Rua Campo Alegre, P-4169007 Porto, Portugal..
    Ferreira Fernandes, Ricardo Manuel
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Regev, Oren
    Ben Gurion Univ Negev, Dept Chem Engn, IL-84105 Beer Sheva, Israel.;Ben Gurion Univ Negev, Ilse Katz Inst Nanotechnol, IL-84105 Beer Sheva, Israel..
    Furo, Istvan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Marques, Eduardo F.
    Univ Porto, Fac Sci, Dept Chem & Biochem, CIQUP, Rua Campo Alegre, P-4169007 Porto, Portugal..
    Gemini surfactants as efficient dispersants of multiwalled carbon nanotubes: Interplay of molecular parameters on nanotube dispersibility and debundling2019In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 547, p. 69-77Article in journal (Refereed)
    Abstract [en]

    Surfactants have been widely employed to debundle, disperse and stabilize carbon nanotubes in aqueous solvents. Yet, a thorough understanding of the dispersing mechanisms at molecular level is still warranted. Herein, we investigated the influence of the molecular structure of gemini surfactants on the dispersibility of multiwalled carbon nanotubes (MWNTs). We used dicationic n-s-n gemini surfactants, varying n and s, the number of alkyl tail and alkyl spacer carbons, respectively; for comparisons, single-tailed surfactant homologues were also studied. Detailed curves of dispersed MWNT concentration vs. surfactant concentration were obtained through a stringently controlled experimental procedure, allowing for molecular insight. The gemini are found to be much more efficient dispersants than their single-tailed homologues, i.e. lower surfactant concentration is needed to attain the maximum dispersed MWNT concentration. In general, the spacer length has a comparatively higher influence on the dispersing efficiency than the tail length. Further, scanning electron microscopy imaging shows a sizeable degree of MWNT debundling by the gemini surfactants in the obtained dispersions. Our observations also point to an adsorption process that does not entail the formation of micelle-like aggregates on the nanotube surface, but rather coverage by individual molecules, among which the ones that seem to be able to adapt best to the nanotube surface provide the highest efficiency. These studies are relevant for the rational design and choice of optimal dispersants for carbon nanomaterials and other similarly water-insoluble materials.

  • 5. Addicoat, Matthew
    et al.
    Atkin, Rob
    Canongia Lopes, José Nuno
    Costa Gomes, Margarida
    Firestone, Millicent
    Gardas, Ramesh
    Halstead, Simon
    Hardacre, Christopher
    Hardwick, Laurence J.
    Holbrey, John
    Hunt, Patricia
    Ivaništšev, Vladislav
    Jacquemin, Johan
    Jones, Robert
    Kirchner, Barbara
    Lynden-Bell, Ruth
    MacFarlane, Doug
    Marlair, Guy
    Medhi, Himani
    Mezger, Markus
    Pádua, Agílio
    Pantenburg, Isabel
    Perkin, Susan
    Reid, Joshua E. S. J.
    Rutland, Mark W.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Saha, Satyen
    Shimizu, Karina
    Slattery, John M.
    Swadźba-Kwaśny, Malgorzata
    Tiwari, Shraeddha
    Tsuzuki, Seiji
    Uralcan, Betul
    van den Bruinhorst, Adriaan
    Watanabe, Masayoshi
    Wishart, James
    Structure and dynamics of ionic liquids: general discussion2018In: Faraday discussions (Online), ISSN 1359-6640, E-ISSN 1364-5498, Vol. 206, no 0, p. 291-337Article in journal (Refereed)
  • 6.
    Ahmad, Shargeel
    et al.
    Dalian Univ Technol, Inst Artificial Photosynthesis, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Liu, Jinxuan
    Dalian Univ Technol, Inst Artificial Photosynthesis, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Ji, Wei
    Dalian Univ Technol, Inst Artificial Photosynthesis, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    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. Dalian Univ Technol, Inst Artificial Photosynthesis, State Key Lab Fine Chem, Dalian 116024, Peoples R China.;KTH Royal Inst Technol, Sch Chem Sci & Engn, Dept Chem, S-10044 Stockholm, Sweden..
    Metal-Organic Framework Thin Film-Based Dye Sensitized Solar Cells with Enhanced Photocurrent2018In: Materials, ISSN 1996-1944, E-ISSN 1996-1944, Vol. 11, no 10, article id 1868Article in journal (Refereed)
    Abstract [en]

    Metal-organic framework thin film-based dye sensitized solar cell is fabricated with highly oriented, crystalline, and porous Zn-perylene metal-organic framework (MOF) thin film (SURMOF) which is integrated with Bodipy embedded in poly(methyl methacrylate). It has been demonstrated that the photocurrent can be enhanced by a factor of 5 relative to Zn-perylene MOF thin film due to triplet-triplet annihilation up-conversion between the Bodipy/PMMA sensitizer and the Zn-perylene MOF thin film acceptor using Co(bpy)(3)(2+/3+) as redox mediator.

  • 7.
    Alekseeva, L. A.
    et al.
    Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, 47 Nauky Ave, UA-61103 Kharkov, Ukraine..
    Dobryden, Illia
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Determination of the low-temperature self-diffusion coefficient in solid p-H-2 from creep experiments2018In: Low temperature physics (Woodbury, N.Y., Print), ISSN 1063-777X, E-ISSN 1090-6517, Vol. 44, no 9, p. 946-951Article in journal (Refereed)
    Abstract [en]

    Dependencies of the relative elongation epsilon under the constantly applied stress at T = 1.8 K on the endurance time t of polycrystalline parahydrogen (p-H-2, similar to 0.2% of o-H-2) of high purity (99.9999 mol.%), with varying deuterium content, were measured. The region of linear dependence between the measured creep rates (epsilon) over dot of samples and the applied stress s was revealed. The conclusion that the low-temperature creep of the studied p-H-2 possesses a vacancy-type diffusion character was made on the basis of linear dependence (epsilon) over dot similar to s. Determination of the low-temperature self-diffusion coefficient of vacancies D in solid p-H-2, which characterizes the rate of low-temperature mass transfer, was performed. The cases of migration of vacancies in the crystal bulk, along boundaries separating individual crystallites, as well as between dislocations existing in crystals, are considered. A significant decrease in the (epsilon) over dot and D values with an increase in the isotope concentration in the samples was observed, while maintaining the linear relationship between (epsilon) over dot and s for the studied p-H-2. Published by AIP Publishing.

  • 8.
    Almandoz-Gil, Leire
    et al.
    Uppsala Univ, Dept Publ Hlth & Caring Sci, Mol Geriatr, SE-75185 Uppsala, Sweden..
    Welander, Hedvig
    Uppsala Univ, Dept Publ Hlth & Caring Sci, Mol Geriatr, SE-75185 Uppsala, Sweden..
    Ihse, Elisabeth
    Uppsala Univ, Dept Publ Hlth & Caring Sci, Mol Geriatr, SE-75185 Uppsala, Sweden..
    Khoonsari, Payam Emami
    Uppsala Univ, Dept Med Sci, SE-75185 Uppsala, Sweden..
    Musunuri, Sravani
    Uppsala Univ, Dept Med Sci, SE-75185 Uppsala, Sweden..
    Lendel, Christofer
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Sigvardson, Jessica
    BioArctic AB, Warfvinges Vag 35, SE-11251 Stockholm, Sweden..
    Karlsson, Mikael
    Uppsala Univ, Dept Engn Sci, SE-75121 Uppsala, Sweden..
    Ingelsson, Martin
    Uppsala Univ, Dept Publ Hlth & Caring Sci, Mol Geriatr, SE-75185 Uppsala, Sweden..
    Kultima, Kim
    Uppsala Univ, Dept Med Sci, SE-75185 Uppsala, Sweden..
    Bergstrom, Joakim
    Uppsala Univ, Dept Publ Hlth & Caring Sci, Mol Geriatr, SE-75185 Uppsala, Sweden..
    Low molar excess of 4-oxo-2-nonenal and 4-hydroxy-2-nonenal promote oligomerization of alpha-synuclein through different pathways (vol 110, pg 421, 2017)2018In: Free Radical Biology & Medicine, ISSN 0891-5849, E-ISSN 1873-4596, Vol. 117, p. 258-258Article in journal (Refereed)
  • 9.
    Amaral, Sarah da Costa
    et al.
    Univ Fed Parana, Sect Biol Sci, Postgrad Program Biochem Sci, BR-81531990 Curitiba, PR, Brazil..
    Barbieri, Shayla Fernanda
    Univ Fed Parana, Sect Biol Sci, Postgrad Program Biochem Sci, BR-81531990 Curitiba, PR, Brazil..
    Ruthes, Andrea C.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. UF, GCREC, Dept Entomol & Nematol, Wimauma, FL USA..
    Bark, Juliana Mueller
    Univ Fed Parana, Sect Biol Sci, Postgrad Program Biochem Sci, BR-81531990 Curitiba, PR, Brazil..
    Brochado Winnischofer, Sheila Maria
    Univ Fed Parana, Sect Biol Sci, Postgrad Program Biochem Sci, BR-81531990 Curitiba, PR, Brazil.;Univ Fed Parana, Dept Biochem & Mol Biol, PB 19046, BR-81531980 Curitiba, PR, Brazil.;Univ Fed Parana, Postgrad Program Cellular & Mol Biol, BR-81531980 Curitiba, PR, Brazil..
    Meira Silveira, Joana Lea
    Univ Fed Parana, Sect Biol Sci, Postgrad Program Biochem Sci, BR-81531990 Curitiba, PR, Brazil.;Univ Fed Parana, Dept Biochem & Mol Biol, PB 19046, BR-81531980 Curitiba, PR, Brazil..
    Cytotoxic effect of crude and purified pectins from Campomanesia xanthocarpa Berg on human glioblastoma cells2019In: Carbohydrate Polymers, ISSN 0144-8617, E-ISSN 1879-1344, Vol. 224, article id UNSP 115140Article in journal (Refereed)
    Abstract [en]

    A new source of pectin with a cytotoxic effect on glioblastoma cells is presented. A homogeneous GWP-FP-S fraction (M-w, of 29,170 g mol(-1)) was obtained by fractionating the crude pectin extract (GW) from Campomanesia xanthocarpa pulp. According to the monosaccharide composition, the GWP-FP-S was composed of galacturonic acid (58.8%), arabinose (28.5%), galactose (11.3%) and rhamnose (1.1%), comprising 57.7% of homogalacturonans (HG) and 42.0% of type I rhamnogalacturonans (RG-I). These structures were characterized by chromatographic and spectroscopic methods; GW and GWP-FP-S fractions were evaluated by MIT and crystal violet assays for their cytotoxic effects. Both fractions induced cytotoxicity (15.55-37.65%) with concomitant increase in the cellular ROS levels in human glioblastoma cells at 25-400 mu g mL(-)(1), after 48 h of treatment, whereas no cytotoxicity was observed for normal NIH 3T3 cells. This is the first report of in vitro bioactivity and the first investigation of the antitumor potential of gabiroba pectins.

  • 10.
    Anantha, Krishnan Hariramabadran
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Örnek, Cem
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH).
    Ejnermark, Sebastian
    Uddeholms AB, Res & Dev, SE-68385 Hagfors, Sweden..
    Thuvander, Anders
    Uddeholms AB, Res & Dev, SE-68385 Hagfors, Sweden..
    Medvedeva, Anna
    Uddeholms AB, Res & Dev, SE-68385 Hagfors, Sweden..
    Sjostrom, Johnny
    Uddeholms AB, Res & Dev, SE-68385 Hagfors, Sweden..
    Pan, Jinshan
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Experimental and modelling study of the effect of tempering on the susceptibility to environment-assisted cracking of AISI 420 martensitic stainless steel2019In: Corrosion Science, ISSN 0010-938X, E-ISSN 1879-0496, Vol. 148, p. 83-93Article in journal (Refereed)
    Abstract [en]

    The resistance to environment-assisted cracking (EAC) of AISI 420 martensitic stainless steel (MSS) was investigated in 0.3 M NaCl solution (room temperature) at constant loads for 30 days. The steel tempered at 250 degrees C was superior to the 500 degrees C-temper, which showed corrosion pits favouring cracking. The fracture surface showed faceted grains, cleavage, striations, and inter- and transgranular cracks, suggesting a mixed stress corrosion cracking (SCC) and hydrogen embrittlement (HE) mechanism as the cause for EAC. Finite element modelling (FEM) indicated strain/stress localization at the mouth of deep pits and at the wall of shallow pits, displaying the favoured locations for pit-to-crack transition.

  • 11. Angiolini, L.
    et al.
    Valetti, S.
    Cohen, B.
    Feiler, Adam
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. Nanologica AB, Södertälje, Sweden.
    Douhal, A.
    Fluorescence imaging of antibiotic clofazimine encapsulated within mesoporous silica particle carriers: Relevance to drug delivery and the effect on its release kinetics2018In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, no 17, p. 11899-11911Article in journal (Refereed)
    Abstract [en]

    We report on the encapsulation of the antibiotic clofazimine (CLZ) within the pores of mesoporous silica particles having hydrophilic (CBET value of 137) and more hydrophobic (CBET value of 94 after calcination at 600 °C) surfaces. We studied the effect of pH on the released amount of CLZ in aqueous solutions and observed a maximum at pH 4.1 in correlation with the solubility of the drug. Less release of the drug was observed from the more hydrophobic particles which was attributed to a difference in the affinity of the drug to the carrier particles. Fluorescence lifetime imaging microscopy, emission spectra, and fluorescence lifetimes of single drug loaded particles provided detailed understanding and new knowledge of the physical form of the encapsulated drug and the distribution within the particles. The distribution of CLZ within the particles was independent of the surface chemistry of the particles. The confirmation of CLZ molecules as monomers or aggregates was revealed by controlled removal of the drug with solvent. Additionally, the observed optical "halo effect" in the fluorescent images was interpreted in terms of specific quenching of high concentration of molecules. The emission lifetime experiments suggest stronger interaction of CLZ with the more hydrophobic particles, which is relevant to its release. The results reported in this work demonstrate that tuning the hydrophilicity/hydrophobicity of mesoporous silica particles can be used as a tool to control the release without impacting their loading ability.

  • 12.
    Arafa, Wael Abdelgayed Ahmed
    et al.
    Jouf Univ, Coll Sci, Chem Dept, POB 72341, Sakaka, Aljouf, Saudi Arabia.;Fayoum Univ, Fac Sci, Chem Dept, POB 63514, Fayoum City, Egypt..
    Abdel-Magied, Ahmed Fawzy
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry. Nucl Mat Author, POB 530, Cairo, Egypt..
    An eco-compatible access to diversified bisoxazolone and bisimidazole derivatives2018In: ARKIVOC, ISSN 1551-7004, E-ISSN 1551-7012, p. 338-353Article in journal (Refereed)
    Abstract [en]

    An efficient, straight-forward and eco-friendly synthetic strategy for the assembly of novel bisoxazolones via a four-component, sequential reaction of dialdehydes, glycine, benzoyl chloride and acetic anhydride, using ultrasound radiation, is described. Additionally, a diverse group of new bisimidazoles has been synthesized in good yields by the sonication of diamines and (Z)-4-arylidene-2-phenyloxazol-5(4H)-ones. These approaches have resulted in a number of successful routes for the facile synthesis of bis-oxazolone and bis-imidazole frameworks within minutes of irradiation. Excellent outcomes using these environmentally-friendly parameters make these synthetic schemes ideal, sustainable, green-chemistry procedures and provide simple access towards the preparation of bisheterocycles. [GRAPHICS] .

  • 13. Armstronga, D. A.
    et al.
    Huie, R. E.
    Lymar, S.
    Koppenol, W. H.
    Merényi, Gabor
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Neta, P.
    Stanbury, D. M.
    Steenken, S.
    Wardman, P.
    Standard electrode potentials involving radicals in aqueous solution: Inorganic radicals2013In: BioInorganic Reaction Mechanisms, ISSN 2191-2491, Vol. 9, no 1-4, p. 59-61Article in journal (Refereed)
    Abstract [en]

    Inorganic radicals, such as superoxide and hydroxyl, play an important role in biology. Their tendency to oxidize or to reduce other compounds has been studied by pulse radiolysis; electrode potentials can be derived when equilibrium is established with a well-known reference compound. An IUPAC Task Group has evaluated the literature and produced the recommended standard electrode potentials for such couples as (O2/O2 ·-), (HO·, H+/H2O), (O3/O3 ·-), (Cl2/Cl2 ·-), (Br2 ·-/2Br-), (NO2 ·/NO2 -), and (CO3 ·-/CO3 2-). 

  • 14.
    Atapour, Masoud
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Wei, Zheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Chaudhary, Himanshu
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Lendel, Christofer
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Odnevall Wallinder, Inger
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Hedberg, Yolanda
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Metal release from stainless steel 316L in whey protein - And simulated milk solutions under static and stirring conditions2019In: Food Control, ISSN 0956-7135, E-ISSN 1873-7129, Vol. 101, p. 163-172Article in journal (Refereed)
    Abstract [en]

    Stainless steel is an important transport and processing contact material for bovine milk and dairy products. Release (migration) of metals, ions, complexes or wear debris/particles, and metal-induced protein aggregation in such environments are hence important to consider both from a corrosion and food safety perspective. This study aims on investigating the release of iron (Fe), chromium (Cr), and nickel (Ni) from AISI 316L stainless steel in contact with whey protein solutions relevant for protein drinks, and on how the whey proteins are influenced by stirring with a magnetic stir bar and metal release. Mechanistic insight is gained by parallel investigations of metal release from two reference non-protein containing solutions, a metal-complexing (citrate-containing) simulated milk solution (SMS) and a low complexing phosphate buffered saline solution (PBS). All immersion exposures were conducted at pH 6.8 for 0.5, 4, 24 and 48 hat room temperature at static and stirring conditions. All solutions and samples were investigated using different chemical, spectroscopic, microscopic, and electrochemical methods. Significantly higher amounts of Fe, Cr, and Ni were released into the whey protein solution (80 g/L) as compared to SMS and PBS. Strong enrichment of Cr in the surface oxide and reduction of the surface oxide thickness were associated with a higher amount of Ni release in the metal-complexing solutions (SMS and whey protein) compared with PBS. Stirring conditions resulted in higher amounts of metal release, enrichment of Cr in the surface oxide, and clear signs of wear of the 316L surface in all solutions compared to static conditions. The wear mechanism in the whey protein solution was different as compared to corresponding processes in SMS and PBS, involving an etching-like process and larger-sized wear debris. Electrochemical measurements at static conditions confirmed observed differences between the solutions, with the lowest corrosion resistance observed for coupons exposed in the whey protein solution, followed by SMS and PBS. Released metals in solution from the 316L coupons in contact with the whey protein solution resulted in enhanced rates of protein aggregation and precipitation of protein aggregates from solution. Further studies should be made to investigate other relevant test conditions and assess toxicological risks.

  • 15.
    Augusto, Ohara
    et al.
    Univ Sao Paulo, Inst Quim, Dept Bioquim, BR-5508000 Sao Paulo, Brazil..
    Goldstein, Sara
    Hebrew Univ Jerusalem, Chem Inst, IL-91904 Jerusalem, Israel..
    Hurst, James K.
    Oregon State Univ, Dept Biochem & Biophys, Corvallis, OR 97331 USA..
    Lind, Johan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH).
    Lymar, Sergei, V
    Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA..
    Merényi, Gabor
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Radi, Rafael
    Univ Republica, Dept Bioquim, Fac Med, Montevideo 11800, Uruguay.;Univ Republica, Ctr Free Rad & Biomed Res, Fac Med, Montevideo 11800, Uruguay..
    Carbon dioxide-catalyzed peroxynitrite reactivity - The resilience of the radical mechanism after two decades of research2019In: Free Radical Biology & Medicine, ISSN 0891-5849, Vol. 135, p. 210-215Article, review/survey (Refereed)
    Abstract [en]

    Peroxynitrite, ONOO-, formed in tissues that are simultaneously generating NO center dot and O-2(center dot-), is widely regarded as a major contributor to oxidative stress. Many of the reactions involved are catalyzed by CO2 via formation of an unstable adduct, ONOOC(O)O-, that undergoes O-O bond homolysis to produce NO2 center dot and CO3 center dot- radicals, whose yields are equal at about 0.33 with respect to the ONOO- reactant. Since its inception two decades ago, this radical-based mechanism has been frequently but unsuccessfully challenged. The most recent among these [Serrano-Luginbuehl et al. Chem. Res. Toxicol. 31: 721-730; 2018] claims that ONOOC(O)O- is stable, predicts a yield of NO2 center dot/CO3 center dot- of less than 0.01 under physiological conditions and, contrary to widely accepted viewpoints, suggests that radical generation is inconsequential to peroxynitrite-induced oxidative damage. Here we review the experimental and theoretical evidence that support the radical model and show this recently proposed alternative mechanism to be incorrect.

  • 16. Aung, S. H.
    et al.
    Zhao, L.
    Nonomura, K.
    Oo, T. Z.
    Zakeeruddin, S. M.
    Vlachopoulos, N.
    Sloboda, Tamara
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Svanström, S.
    Cappel, Ute B.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Hagfeldt, A.
    Grätzel, M.
    Toward an alternative approach for the preparation of low-temperature titanium dioxide blocking underlayers for perovskite solar cells2019In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 7, no 17, p. 10729-10738Article in journal (Refereed)
    Abstract [en]

    The anodic electrodeposition method is investigated as an alternative technique for the preparation of a titanium oxide (TiO 2 ) blocking underlayer (UL) for perovskite solar cells (PSCs). Extremely thin Ti IV -based films are grown from aqueous acidic titanium(iii) chloride in an electrochemical cell at room temperature. This precursor layer is converted to the UL (ED-UL), in a suitable state for PSC applications, by undertaking a sintering step at 450 °C for half an hour. PSCs with the composition of the light-absorbing material FA 0.85 MA 0.10 Cs 0.05 Pb(I 0.87 Br 0.13 ) 3 (FA and MA denote the formamidinium and methylammonium cations, respectively) based on the ED-UL are compared with PSCs with the UL of a standard type prepared by the spray-pyrolysis method at 450 °C from titanium diisopropoxide bis(acetylacetonate) (SP-UL). We obtain power conversion efficiencies (PCEs) of over 20% for mesoscopic perovskite devices employing both ED-ULs and SP-ULs. Slightly higher fill factor values are observed for ED-UL-based devices. In addition, ED-ULs prepared by the same method have also been applied in planar PSCs, resulting in a PCE exceeding 17%, which is comparable to that for similar PSCs with an SP-UL. The preparation of ED-ULs with a lower sintering temperature, 150 °C, has also been examined. The efficiency of a planar PSC incorporating this underlayer was 14%. These results point out to the possibility of applying ED-ULs in flexible planar PSCs in the future.

  • 17.
    Azeem, Muhammad
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry. Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad 22060, Pakistan.
    Barba Aliaga, Marina
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Industrial Biotechnology.
    Borg-Karlson, Anna-Karin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry. Division of Organic Chemistry, Institute of Technology, Tartu University, Tartu 50411, Estonia.
    Terenius, O.
    Broberg, A.
    Rajarao, Gunaratna Kuttuva
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Industrial Biotechnology.
    Heterobasidion-growth inhibiting Bacillus subtilis A18 exhibits medium- and age-dependent production of lipopeptides2019In: Microbiology Research, ISSN 0944-5013, E-ISSN 1618-0623, Vol. 223-225, p. 129-136Article in journal (Refereed)
    Abstract [en]

    Heterobasidion annosum s.s. and H. parviporum are severe pathogens of conifers causing butt rot and root rot thus reducing the economic value of timber. Here, the antifungal activity of Bacillus subtilis isolate A18 against these two Heterobasidion species was investigated. Five different culture media with different culture age were investigated to study the effect of substrate composition and culture age for metabolite production. Bacterial cultures and cell-free culture filtrates were tested for antifungal activity. Inhibition of fungal growth was analysed using the agar disc-diffusion method. MALDI-TOF and LC-HRMS analyses were used to identify the antifungal metabolites. Substrate composition and age of culture were found to be active variables with direct effect on the antifungal activity of bacterial culture extracts. High anti-fungal activity was observed when B. subtilis was cultured in PDB, SGB and LB media for four days. Mass-spectrometry analysis showed the presence of lipopeptides in culture filtrates identified as members of the surfactins, polymixins, kurstakins and fengycins. A culture filtrate containing fengycin-type lipopeptides showed the highest bioactivity against Heterobasidion species. Bacterial cultures had higher bioactivity compared to their respective cell free culture filtrates. The results of the present study suggest that B. subtilis A18 is a powerful biocontrol agent against Heterobasidion infections of tree wounds and stumps.

  • 18.
    Baath, Jenny Arnling
    et al.
    Chalmers Univ Technol, Div Ind Biotechnol, Dept Biol & Biol Engn, S-41296 Gothenburg, Sweden.;Chalmers Univ Technol, Wallenberg Wood Sci Ctr, S-41296 Gothenburg, Sweden..
    Martinez-Abad, Antonio
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    Berglund, Jennie
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Larsbrink, Johan
    Chalmers Univ Technol, Div Ind Biotechnol, Dept Biol & Biol Engn, S-41296 Gothenburg, Sweden.;Chalmers Univ Technol, Wallenberg Wood Sci Ctr, S-41296 Gothenburg, Sweden..
    Vilaplana, Francisco
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Olsson, Lisbeth
    Chalmers Univ Technol, Div Ind Biotechnol, Dept Biol & Biol Engn, S-41296 Gothenburg, Sweden.;Chalmers Univ Technol, Wallenberg Wood Sci Ctr, S-41296 Gothenburg, Sweden..
    Mannanase hydrolysis of spruce galactoglucomannan focusing on the influence of acetylation on enzymatic mannan degradation2018In: Biotechnology for Biofuels, ISSN 1754-6834, E-ISSN 1754-6834, Vol. 11, article id 114Article in journal (Refereed)
    Abstract [en]

    Background: Galactoglucomannan (GGM) is the most abundant hemicellulose in softwood, and consists of a backbone of mannose and glucose units, decorated with galactose and acetyl moieties. GGM can be hydrolyzed into fermentable sugars, or used as a polymer in films, gels, and food additives. Endo-beta-mannanases, which can be found in the glycoside hydrolase families 5 and 26, specifically cleave the mannan backbone of GGM into shorter oligosaccharides. Information on the activity and specificity of different mannanases on complex and acetylated substrates is still lacking. The aim of this work was to evaluate and compare the modes of action of two mannanases from Cellvibrio japonicus (CjMan5A and CjMan26A) on a variety of mannan substrates, naturally and chemically acetylated to varying degrees, including naturally acetylated spruce GGM. Both enzymes were evaluated in terms of cleavage patterns and their ability to accommodate acetyl substitutions. Results: CjMan5A and CjMan26A demonstrated different substrate preferences on mannan substrates with distinct backbone and decoration structures. CjMan5A action resulted in higher amounts of mannotriose and mannotetraose than that of CjMan26A, which mainly generated mannose and mannobiose as end products. Mass spectrometric analysis of products from the enzymatic hydrolysis of spruce GGM revealed that an acetylated hexotriose was the shortest acetylated oligosaccharide produced by CjMan5A, whereas CjMan26A generated acetylated hexobiose as well as diacetylated oligosaccharides. A low degree of native acetylation did not significantly inhibit the enzymatic action. However, a high degree of chemical acetylation resulted in decreased hydrolyzability of mannan substrates, where reduced substrate solubility seemed to reduce enzyme activity. Conclusions: Our findings demonstrate that the two mannanases from C. japonicus have different cleavage patterns on linear and decorated mannan polysaccharides, including the abundant and industrially important resource spruce GGM. CjMan26A released higher amounts of fermentable sugars suitable for biofuel production, while CjMan5A, producing higher amounts of oligosaccharides, could be a good candidate for the production of oligomeric platform chemicals and food additives. Furthermore, chemical acetylation of mannan polymers was found to be a potential strategy for limiting the biodegradation of mannan-containing materials.

  • 19.
    Badal Tejedor, Maria
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Res Inst Sweden, Stockholm, Sweden..
    Nordgren, Niklas
    RISE Res Inst Sweden, Stockholm, Sweden..
    Schuleit, Michael
    Novartis Pharma AG, Basel, Switzerland..
    Millqvist-Fureby, Anna
    RISE Res Inst Sweden, Stockholm, Sweden..
    Rutland, Mark W.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Res Inst Sweden, Stockholm, Sweden..
    AFM colloidal probe measurements implicate capillary condensation in punch-particle surface interactions during tableting2019In: Abstracts of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 257Article in journal (Other academic)
  • 20.
    Badal Tejedor, Maria
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Research Intitutes of Sweden.
    Pazesh, Samaneh
    Nordgren, Niklas
    Schuleit, Michael
    Rutland, Mark W.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Research Intitutes of Sweden.
    Alderborn, Göran
    Millqvist-Fureby, Anna
    Milling induced amorphisation andrecrystallization of α-lactose monohydrate2018In: International Journal of Pharmaceutics, ISSN 0378-5173, E-ISSN 1873-3476, Vol. 537, no 1-2, p. 140-147Article in journal (Refereed)
    Abstract [en]

    Preprocessing of pharmaceutical powders is a common procedure to condition the materials for a better manufacturing performance. However, such operations may induce undesired material properties modifications when conditioning particle size through milling, for example. Modification of both surface and bulk material structure will change the material properties, thus affecting the processability of the powder. Hence it is essential to control the material transformations that occur during milling. Topographical and mechanical changes in surface properties can be a preliminary indication of further material transformations. Therefore a surface evaluation of the alpha-lactose monohydrate after short and prolonged milling times has been performed. Unprocessed alpha-lactose monohydrate and spray dried lactose were evaluated in parallel to the milled samples as reference examples of the crystalline and amorphous lactose structure. Morphological differences between un-processed a-lactose, 1 h and 20 h milled lactose and spray dried lactose were detected from SEM and AFM images. Additionally, AFM was used to simultaneously characterize particle surface amorphicity by measuring energy dissipation. Extensive surface amorphicity was detected after 1 h of milling while prolonged milling times showed only a moderate particle surface amorphisation. Bulk material characterization performed with DSC indicated a partial amorphicity for the 1 h milled lactose and a fully amorphous thermal profile for the 20 h milled lactose. The temperature profiles however, were shifted somewhat in the comparison to the amorphous reference, particularly after extended milling, suggesting a different amorphous state compared to the spraydried material. Water loss during milling was measured with TGA, showing lower water content for the lactose amorphized through milling compared to spray dried amorphous lactose. The combined results suggest a surface-bulk propagation of the amorphicity during milling in combination with a different amorphous structural conformation to that of the amorphous spray dried lactose. The hardened surface may be due to either surface crystallization of lactose or to formation of a low-water glass transition.

  • 21.
    Barbieri, Shayla Fernanda
    et al.
    Univ Fed Parana, Biochem & Mol Biol Dept, BR-81531980 Curitiba, Parana, Brazil..
    Amaral, Sarah da Costa
    Univ Fed Parana, Biochem & Mol Biol Dept, BR-81531980 Curitiba, Parana, Brazil..
    Ruthes, Andrea Caroline
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. Univ Florida, Dept Entomol & Nematol, Gulf Coast Res & Educ Ctr GCREC UF, Wimauma, FL USA..
    de Oliveira Petkowicz, Carmen Lucia
    Univ Fed Parana, Biochem & Mol Biol Dept, BR-81531980 Curitiba, Parana, Brazil..
    Kerkhoven, Nicole Cristine
    Univ Fed Parana, Biochem & Mol Biol Dept, BR-81531980 Curitiba, Parana, Brazil..
    Assuncao da Silva, Elisangela Rodrigues
    Univ Fed Parana, Biochem & Mol Biol Dept, BR-81531980 Curitiba, Parana, Brazil..
    Meira Silveira, Joana Lea
    Univ Fed Parana, Biochem & Mol Biol Dept, BR-81531980 Curitiba, Parana, Brazil..
    Pectins from the pulp of gabiroba (Campomanesia xanthocarpa Berg): Structural characterization and rheological behavior2019In: Carbohydrate Polymers, ISSN 0144-8617, E-ISSN 1879-1344, Vol. 214, p. 250-258Article in journal (Refereed)
    Abstract [en]

    The pulp of gabiroba fruits was submitted to a hot water extraction, giving rise to a crude pectin named GW. GW was shown to be composed mainly of arabinose (54.5%), galacturonic acid (33.5%), galactose (7.6%), and rhamnose (1.6%). GW was characterized by chromatographic and spectroscopic methods indicating the presence of homogalacturonans (HG) with a degree of methyl-esterification (DM) of 60% and rhamnogalacturonans I (RG-I). HG domain represents 31.9% and RG-I domain 65.3%. Furthermore, GW was submitted to sequential fractionation methods, giving rise to GWP-TEP fraction, structurally characterized by the predominance of HG regions, and confirmed by NMR analysis. The rheological behavior of GW was analyzed at 1%, 3%, and 5% (w/v) concentration with 0.1 mol L-1 NaCl. All samples showed shear thinning behavior. In the oscillatory measurements, the 1% GW showed a liquid-like behavior, while the 3% presented a concentrated solution behavior and the 5% GW a gel behavior.

  • 22.
    Baroffio, C. A.
    et al.
    Agroscope, Rte Eterpys 18, CH-1964 Conthey, Switzerland..
    Sigsgaard, L.
    Univ Copenhagen, Dept Plant & Environm Sci, Thorvaldsensvej 40, DK-1871 Frederiksberg C, Denmark..
    Ahrenfeldt, E. J.
    Univ Copenhagen, Dept Plant & Environm Sci, Thorvaldsensvej 40, DK-1871 Frederiksberg C, Denmark..
    Borg-Karlson, A. -K
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Bruun, S. A.
    NIBIO Norwegian Inst Bloecon Res, NO-1431 As, Norway.;NMBU Norwegian Univ Life Sci, Fac Environm Sci & Nat Resource Management, NO-1432 As, Norway..
    Cross, J. V.
    NIAB EMR, New Rd, Kent ME19 6BJ, England..
    Fountain, M. T.
    NIAB EMR, New Rd, Kent ME19 6BJ, England..
    Hall, D.
    Univ Greenwich, Nat Resources Inst, Cent Ave, Chatham ME4 4TB, Kent, England..
    Mozuraitis, R.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Ralle, B.
    LPPRC Latvian Plant Protect Res Ctr, Struktoru Lela 14 A, LV-1039 Riga, Latvia..
    Trandem, N.
    NIBIO Norwegian Inst Bloecon Res, NO-1431 As, Norway.;NMBU Norwegian Univ Life Sci, Fac Environm Sci & Nat Resource Management, NO-1432 As, Norway..
    Wibe, A.
    NORSOK Norwegian Ctr Organ Agr, Gunnars Vei 6, NO-6630 Tingvoll, Norway..
    Combining plant volatiles and pheromones to catch two insect pests in the same trap: Examples from two berry crops2018In: Crop Protection, ISSN 0261-2194, E-ISSN 1873-6904, Vol. 109, p. 1-8Article in journal (Refereed)
    Abstract [en]

    Most horticultural crops are attacked by more than one insect pest. As broad-spectrum chemical control options are becoming increasingly restricted, there is a need to develop novel control methods. Semiochemical attractants are available for three important horticultural pests, strawberry blossom weevil, Anthonomus rubi Herbst (Coleoptera: Curculionidae), European tarnished plant bug, Lygus rugulipennis Poppius (Hemiptera: Miridae) and raspberry beetle, Byturus tomentostts deGeer (Coleoptera: Byturidae). Traps targeting more than one pest species would be more practical and economical for both monitoring and mass trapping than traps for single-species. In this study we aimed to (1) improve the effectiveness of existing traps for insect pests in strawberry and raspberry crops by increasing catches of each species, and (2) test if attractants for two unrelated pest species could be combined to capture both in the same trap without decreasing the total catches. Field tests were carried out in four European countries and different combinations of semiochemicals were compared. A volatile from strawberry flowers, 1,4 dimethoxybenzene (DMB), increased the attractiveness of the aggregation pheromone to both sexes of A. rubi. The host-plant volatile, phenylacetaldehyde (PAA), increased the attraction of female L. rugulipennis to the sex pheromone, and, in strawberry, there was some evidence that adding DMB increased catches further. Traps baited with the aggregation pheromone of A. rubi, DMB, the sex pheromone of L rugulipennis and PAA attracted both target species to the same trap with no significant difference in catches compared to those single-species traps. In raspberry, catches in traps baited with a combination of A. rubi aggregation pheromone, DMB and the commercially available lure for B. tomentosus, based on raspberry flower volatiles, were similar to those in single-species traps. In both crops the efficiency of the traps still needs improvement, but the multi species traps are adequate for monitoring and should not lead to confusion for the user as the target species are easy to distinguish from each other.

  • 23.
    Barreiro Fidalgo, Alexandre
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Jonsson, Mats
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Radiation induced dissolution of (U, Gd)O-2 pellets in aqueous solution - A comparison to standard UO2 pellets2019In: Journal of Nuclear Materials, ISSN 0022-3115, E-ISSN 1873-4820, Vol. 514, p. 216-223Article in journal (Refereed)
    Abstract [en]

    The behavior of spent nuclear fuel exposed to groundwater is crucial in the safety assessment of a deep geological repository for spent nuclear fuel. For this reason, leaching experiments on spent nuclear fuel as well as non-radioactive analogues have been conducted for several decades. Although the processes involved can be considered to be fairly well understood, there is a need for further experimental studies whenever new fuel types are introduced. Fuels with burnable absorbers are now in use but very little is known about their behavior under repository conditions. In this work, the impact of burnable absorbers doping (Gd, 3-8%wt.) on the oxidative dissolution of UO2 in an aqueous system was studied in H2O2 and gamma-irradiation induced dissolution experiments. The results showed a significant decrease in uranium dissolution and lower reactivity towards H2O2 for (U,Gd)O-2 pellets compared to standard UO2. The resulting decrease in the final oxidative dissolution yield was mainly attributed to decreased redox reactivity of the UO2-matrix upon doping. The results of the gamma radiation exposures display an even larger effect of Gd-doping. These findings indicate that other processes are involved in the radiation-induced dissolution of Gd-doped UO2 compared to pure UO2. 

  • 24. Bazant, Martin
    et al.
    Bennewitz, Roland
    Bocquet, Lydéric
    Brilliantov, Nikolay
    Dey, Ranabir
    Drummond, Carlos
    Dryfe, Robert
    Girault, Hubert
    Hatzell, Kelsey
    Kornev, Konstantin
    Kornyshev, Alexei A.
    Kratochvilova, Irena
    Kucernak, Anthony
    Kulkarni, Mohit
    Kumar, Sunny
    Lee, Alpha
    Lemay, Serge
    Medhi, Himani
    Mount, Andrew
    Mugele, Frieder
    Perkin, Susan
    Rutland, Mark W.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Schatz, George
    Schiffrin, David
    Smela, Elisabeth
    Smirnov, Evgeny
    Urbakh, Michael
    Yaroshchuk, Andriy
    Electrotunable wetting, and micro- and nanofluidics: general discussion2017In: Faraday discussions (Online), ISSN 1359-6640, E-ISSN 1364-5498, Vol. 199, no 0, p. 195-237Article in journal (Refereed)
  • 25.
    Beldowski, Piotr
    et al.
    UTP Univ Sci & Technol, Inst Math & Phys, Al Kaliskiego 7, PL-85796 Bydgoszcz, Poland..
    Weber, Piotr
    Gdansk Univ Technol, Atom & Opt Phys Div, Dept Atom Mol & Opt Phys, Fac Appl Phys & Math, Narutowicza 11-12, PL-80233 Gdansk, Poland..
    Dédinaité, Andra
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Res Inst Sweden, Box 5607, SE-11486 Stockholm, Sweden..
    Claesson, Per M.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Res Inst Sweden, Box 5607, SE-11486 Stockholm, Sweden..
    Gadomski, Adam
    UTP Univ Sci & Technol, Inst Math & Phys, Al Kaliskiego 7, PL-85796 Bydgoszcz, Poland..
    Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment2018In: Soft Matter, ISSN 1744-683X, E-ISSN 1744-6848, Vol. 14, no 44, p. 8997-9004Article in journal (Refereed)
    Abstract [en]

    Hyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and the small world network approach to investigate dynamic couplings using a distance map applied to oxygen atoms in a chain of hyaluronic acid in the presence of phospholipids and water. The distance characterizing the coupling can be defined in various ways to bring out the most evident differences between various scenarios of the polymer chain conformation We show herein a physical distance understood as H-bond length and classes of these distances which are defined in a coarse-grained picture of the molecule. Simulation results indicate that addition of phospholipids has little influence on hyaluronic acid crosslinking. However, longer chains and addition of lipids promote appreciably long lasting (resilient) networks that may be of importance in biological systems. Specific sites for hydrogen bonding of phospholipids to hyaluronic acid have also been identified.

  • 26.
    Belmonte, Rodrigo
    et al.
    Univ Aberdeen, Scottish Fish Immunol Res Ctr, Inst Biol & Environm Sci, Aberdeen, Scotland.;Univ Aberdeen, Inst Med Sci, Aberdeen Oomycete Lab, Aberdeen, Scotland..
    Wang, Tiehui
    Univ Aberdeen, Scottish Fish Immunol Res Ctr, Inst Biol & Environm Sci, Aberdeen, Scotland..
    Duncan, Gary J.
    Univ Aberdeen, Mass Spectrometry Grp, Rowett Inst Nutr & Hlth, Aberdeen, Scotland..
    Skaar, Ida
    Norwegian Vet Inst, Oslo, Norway..
    Melida, Hugo
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. Royal Inst Technol, Div Glycosci, Sch Biotechnol, Stockholm, Sweden..
    Bulone, Vincent
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. Royal Inst Technol, Div Glycosci, Sch Biotechnol, Stockholm, Sweden..
    van West, Pieter
    Univ Aberdeen, Inst Med Sci, Aberdeen Oomycete Lab, Aberdeen, Scotland..
    Secombes, Christopher J.
    Univ Aberdeen, Scottish Fish Immunol Res Ctr, Inst Biol & Environm Sci, Aberdeen, Scotland..
    Erratum to:: Role of Pathogen-Derived Cell Wall Carbohydrates and Prostaglandin E-2 in Immune Response and Suppression of Fish Immunity by the Oomycete Saprolegnia parasitica2015In: Infection and Immunity, ISSN 0019-9567, E-ISSN 1098-5522, Vol. 83, no 1, p. 454-454Article in journal (Refereed)
  • 27.
    Berglund, Jennie
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Azhar, Shoaib
    Lawoko, Martin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Lindström, Mikael
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Vilaplana, Francisco
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Wohlert, Jakob
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Henriksson, Gunnar
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    The structure of galactoglucomannan impacts the degradation under alkaline conditions2018In: Cellulose (London), ISSN 0969-0239, E-ISSN 1572-882XArticle in journal (Refereed)
    Abstract [en]

    Galactoglucomannan (GGM) from sprucewas studied with respect to the degradation behavior inalkaline solution. Three reference systems includinggalactomannan from locust bean gum, glucomannanfrom konjac and the linear water-soluble carboxymethylcellulose were studied with focus onmolecular weight, sugar composition, degradationproducts, as well as formed oligomers, to identifyrelative structural changes in GGM. Initially allmannan polysaccharides showed a fast decrease inthe molecular weight, which became stable in the laterstage. The degradation of the mannan polysaccharidescould be described by a function corresponding to thesum of two first order reactions; one slow that wasascribed to peeling, and one fast that was connectedwith hydrolysis. The galactose side group wasstable under conditions used in this study (150 min,90 C, 0.5 M NaOH). This could suggest that, apartfrom the covalent connection to C6 in mannose, thegalactose substitutions also interact non-covalentlywith the backbone to stabilize the structure againstdegradation. Additionally, the combination of differentbackbone sugars seems to affect the stability of thepolysaccharides. For carboxymethyl cellulose thedegradation was linear over time which furthersuggests that the structure and sugar composition playan important role for the alkaline degradation. Moleculardynamics simulations gave details about theconformational behavior of GGM oligomers in watersolution, as well as interaction between the oligomersand hydroxide ions.

  • 28.
    Berglund, Jennie
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Farahani, Saina Kishani
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    de Carvalho, Danila Morais
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Lawoko, Martin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Wohlert, Jakob
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Henriksson, Gunnar
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Lindström, Mikael
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Wågberg, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Vilaplana, Francisco
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. AlbaNova University Centre.
    The influence of acetylation and sugar composition on the (in)solubility of mannans, their interaction with cellulose surfaces and thermal propertiesManuscript (preprint) (Other academic)
  • 29.
    Berglund, Jennie
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Kishani, Saina
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    de Carvalho, Danila Morais
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Lawoko, Martin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Wohlert, Jakob
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Henriksson, Gunnar
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Lindström, Mikael
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Wågberg, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Vilaplana, Francisco
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    The influence of acetylation and sugar composition on the (in)solubility of mannans, their interaction with cellulose surfaces and thermal properties.Manuscript (preprint) (Other academic)
  • 30.
    Berglund, Jennie
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Fibre Technology.
    Mikkelsen, Deirdre
    Univ Queensland, Queensland Alliance Agr & Food Innovat, Ctr Nutr & Food Sci, ARC Ctr Excellence Plant Cell Walls, Brisbane, Qld, Australia..
    Flanagan, Bernadine
    Univ Queensland, Queensland Alliance Agr & Food Innovat, Ctr Nutr & Food Sci, ARC Ctr Excellence Plant Cell Walls, Brisbane, Qld, Australia..
    Dhital, Sushil
    Univ Queensland, Queensland Alliance Agr & Food Innovat, Ctr Nutr & Food Sci, ARC Ctr Excellence Plant Cell Walls, Brisbane, Qld, Australia..
    Henriksson, Gunnar
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Lindström, Mikael
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Yakubov, Gleb
    Univ Queensland, Sch Chem Engn, ARC Ctr Excellence Plant Cell Walls, Brisbane, Qld, Australia..
    Gidley, Michael
    Univ Queensland, Queensland Alliance Agr & Food Innovat, Ctr Nutr & Food Sci, ARC Ctr Excellence Plant Cell Walls, Brisbane, Qld, Australia..
    Vilaplana, Francisco
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Hydrogels of bacterial cellulose and wood hemicelluloses as a model of plant secondary cell walls2019In: Abstracts of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 257Article in journal (Other academic)
  • 31. Bergquist, Helen
    et al.
    Rocha, Cristina S. J.
    Álvarez-Asencio, Rubén
    Nguyen, Colleen Ramsey
    Rutland, Mark W.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Smith, C I Edvard
    Good, L.
    Nielsen, Peter Egil
    Zain, Rula
    Structure and Photoactivatable Probes for Nucleic Acids and Kinases2016In: Biochimie, Vol. 128, no 129, p. 133-137Article in journal (Refereed)
  • 32.
    Bernhem, Kristoffer
    et al.
    KTH, School of Engineering Sciences (SCI), Applied Physics. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Blom, H.
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Brismar, Hjalmar
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences (SCI), Applied Physics.
    Quantification of endogenous and exogenous protein expressions of Na,K-ATPase with super-resolution PALM/STORM imaging2018In: PLoS ONE, ISSN 1932-6203, E-ISSN 1932-6203, Vol. 13, no 4, article id e0195825Article in journal (Refereed)
    Abstract [en]

    Transient transfection of fluorescent fusion proteins is a key enabling technology in fluorescent microscopy to spatio-temporally map cellular protein distributions. Transient transfection of proteins may however bypass normal regulation of expression, leading to overexpression artefacts like misallocations and excess amounts. In this study we investigate the use of STORM and PALM microscopy to quantitatively monitor endogenous and exogenous protein expression. Through incorporation of an N-terminal hemagglutinin epitope to a mMaple3 fused Na,K-ATPase (α1 isoform), we analyze the spatial and quantitative changes of plasma membrane Na,K-ATPase localization during competitive transient expression. Quantification of plasma membrane protein density revealed a time dependent increase of Na,K-ATPase, but no increase in size of protein clusters. Results show that after 41h transfection, the total plasma membrane density of Na,K-ATPase increased by 63% while the endogenous contribution was reduced by 16%. © 2018 Bernhem et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

  • 33.
    Bernin, Diana
    et al.
    Swedish NMR Ctr, Gothenburg, Sweden..
    Bialik, Erik
    Lund Univ, Div Theoret Chem, Lund, Sweden..
    Stenqvist, Bjorn
    Lund Univ, Div Theoret Chem, Lund, Sweden..
    Fang, Yuan
    KTH.
    Ostlund, Asa
    SP Tech Res Inst Sweden, Stockholm, Sweden..
    Furo, Istvan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Lindman, Bjorn
    Lund Univ, Chem, Lund, Sweden..
    Lund, Mikael
    Lund Univ, Div Theoret Chem, Lund, Sweden..
    On the ionization of cellulose in aqueous alkali2017In: Abstracts of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 253Article in journal (Other academic)
  • 34. Bełdowski, P.
    et al.
    Weber, P.
    Dédinaité, Andra
    KTH, Superseded Departments (pre-2005), Chemistry.
    Claesson, Per M.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Gadomski, A.
    Correction: Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment (Soft Matter (2018) DOI: 10.1039/c8sm01388h)2018In: Soft Matter, Vol. 14, no 47Article in journal (Refereed)
    Abstract [en]

    Correction for 'Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment' by Piotr Bełdowski et al., Soft Matter, 2018, DOI: 10.1039/c8sm01388h. 

  • 35.
    Bhagavathiachari, Muthuraaman
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Elumalai, V.
    Gao, Jiajia
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Polymer-doped molten salt mixtures as a new concept for electrolyte systems in dye-sensitized solar cells2017In: ACS Omega, ISSN 2470-1343, Vol. 2, no 10, p. 6570-6575Article in journal (Refereed)
    Abstract [en]

    A conceptually new polymer electrolyte for dye-sensitized solar cells is reported and investigated. The benefits of using this type of electrolyte based on ionic liquid mixtures (ILMs) and room temperature ionic liquids are highlighted. Impedance spectroscopy and transient electron measurements have been used to elucidate the background of the photovoltaic performance. Even though larger recombination losses were noted, the high ion mobility and conductivity induced in the ILMs by the added polymer result in enhanced overall conversion efficiencies.

  • 36.
    Blomkvist, Björn
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Dinér, Peter
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    HBF4 center dot DEE-catalyzed formation of sulfinyl imines: Synthesis and mechanistic studies2018In: Tetrahedron Letters, ISSN 0040-4039, E-ISSN 1359-8562, Vol. 59, no 13, p. 1249-1253Article in journal (Refereed)
    Abstract [en]

    A mild acid-catalysed method is reported for the formation of sulfinyl imines from tert-butanesulfinamide and aromatic or aliphatic aldehydes using tetrafluoroboric acid diethyletherate (10 mol%) in dichloromethane. Reactions were performed at room temperature and gave the corresponding sulfinyl imines in excellent yield after 2 h. A DFT study was performed and a mechanism for the reaction is postulated. 

  • 37.
    Blomkvist, Björn
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Dinér, Peter
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Mild and Rapid Aniline/HBF4 center dot DEE-Catalysed Formation of Sulfinyl Imines2019In: ChemistrySelect, ISSN 2365-6549, Vol. 4, no 25, p. 7431-7436Article in journal (Refereed)
    Abstract [en]

    The combination of anline and tetrafluoroboric acid diethyl etherate (2.5 mol% and 5 mol%, respectively) significantly accelerates the formation of sulfinyl imines in dichloromethane and isopropylacetate at room temperature compared to previous procedures. A DFT and NMR spectroscopic study shows that the anilinium tetrafluoroborate complex is solvated by sulfinamide molecules in the initial state and that the rate-limiting step of the reaction is the addition of the sulfinamide molecule to the protonated aniline-based imine. In addition, the catalytic system was also utilised in a one-pot, two step reaction, where the in situ formed sulfinyl imine was arylated in a rhodium catalysed reaction with high diastereoselectivity.

  • 38. Boshkova, Katrin
    et al.
    Kronberg, Bengt
    Rutland, Mark W.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Imae, Toyoko
    Visco-elastic properties of thin surfactant films studied with the tribological surface force apparatus.2000Conference paper (Refereed)
  • 39.
    Brinck, Tore
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Nyberg Borrfors, Andre
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry. KTH Royal Inst Technol, CBH, Dept Chem, Appl Phys Chem, SE-10044 Stockholm, Sweden..
    Electrostatics and polarization determine the strength of the halogen bond: a red card for charge transfer2019In: JOURNAL OF MOLECULAR MODELING, Vol. 25, no 5, article id 125Article in journal (Refereed)
    Abstract [en]

    A series of 20 halogen bonded complexes of the types R-Br center dot center dot center dot Br- (R is a substituted methyl group) and R '-CC-Br center dot center dot center dot Br- are investigated at the M06-2X/6-311+G(d,p) level of theory. Computations using a point-charge (PC) model, in which Br- is represented by a point charge in the electronic Hamiltonian, show that the halogen bond energy within this set of complexes is completely described by the interaction energy (E-PC) of the point charge. This is demonstrated by an excellent linear correlation between the quantum chemical interaction energy and E-PC with a slope of 0.88, a zero intercept, and a correlation coefficient of R-2=0.9995. Rigorous separation of E-PC into electrostatics and polarization shows the high importance of polarization for the strength of the halogen bond. Within the data set, the electrostatic interaction energy varies between 4 and-18kcal mol(-1), whereas the polarization energy varies between -4 and-10kcal mol(-1). The electrostatic interaction energy is correlated to the sum of the electron-withdrawing capacities of the substituents. The polarization energy generally decreases with increasing polarizability of the substituents, and polarization is mediated by the covalent bonds. The lower (more favorable) E-PC of CBr4---Br- compared to CF3Br center dot center dot center dot Br- is found to be determined by polarization as the electrostatic contribution is more favorable for CF3Br center dot center dot center dot Br-. The results of this study demonstrate that the halogen bond can be described accurately by electrostatics and polarization without any need to consider charge transfer.

  • 40.
    Brinck, Tore
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Stenlid, Joakim H.
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    The Molecular Surface Property Approach: A Guide to Chemical Interactions in Chemistry, Medicine, and Material Science2019In: ADVANCED THEORY AND SIMULATIONS, ISSN 2513-0390, Vol. 2, no 1, article id 1800149Article in journal (Refereed)
    Abstract [en]

    The current status of the molecular surface property approach (MSPA) and its application for analysis and prediction of intermolecular interactions, including chemical reactivity, are reviewed. The MSPA allows for identification and characterization of all potential interaction sites of a molecule or nanoparticle by the computation of one or more molecular properties on an electronic isodensity surface. A wide range of interactions can be analyzed by three properties, which are well-defined within Kohn-Sham density functional theory. These are the electrostatic potential, the average local ionization energy, and the local electron attachment energy. The latter two do not only reflect the electrostatic contribution to a chemical interaction, but also the contributions from polarization and charge transfer. It is demonstrated that the MSPA has a high predictive capacity for non-covalent interactions, for example, hydrogen and halogen bonding, as well as organic substitution and addition reactions. The latter results open u p applications within drug design and medicinal chemistry. The application of MSPA has recently been extended to nanoparticles and extended surfaces of metals and metal oxides. In particular, nanostructural effects on the catalytic properties of noble metals are rationalized. The potential for using MSPA in rational design of heterogeneous catalysts is discussed.

  • 41.
    Bronken, Ida Antonia Tank
    et al.
    Natl Museum Art Architecture & Design, Dept Collect Management, Holmenkollveien 37b, N-0376 Oslo, Norway..
    Boon, Jaap J.
    JAAP Enterprise Art Sci Studies, Amsterdam, Netherlands..
    Corkery, Robert
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Steindal, Calin Constantin
    Univ Oslo, Museum Cultural Hist, Oslo, Norway..
    Changing surface features, weeping and metal soap formation in paintings by Karel Appel and Asger Jorn from 1946-19712019In: Journal of Cultural Heritage, ISSN 1296-2074, E-ISSN 1778-3674, Vol. 35, p. 279-287Article in journal (Refereed)
    Abstract [en]

    This paper presents results from ongoing investigations of soft and dripping oil paint in art works by CoBrA's Karel Appel (1921-2006) and Asger Jorn (1914-1973). The work is part of the PhD-project Investigation of soft and dripping paint in paintings from 1946-1971 where twenty-four paintings are being investigated. The paintings were chosen to represent a large variety of conditions: some with slightly soft and mainly stable paints, and others with deforming and dripping paints. All paintings chosen had some paint with uneven fluorescence emitted from specific paint colours. Earlier studies have shown that fluorescence can be an indicator of softening paint. The softening paints and drips on the surface of some of these paintings show similar polarity features with mid-chain functionalized stearic acids and azelaic acid moieties. Our findings show there are several physical and chemical alterations within one degradation symptom that have to be understood when conservation treatments are considered in the future.

  • 42. Brumer, Harry
    et al.
    Rutland, Mark W.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Sinnot, Michael
    Teeri, Tuula
    Zhou, Qi
    Crosslinking involving a polymeric carbohydrate material2006Patent (Other (popular science, discussion, etc.))
  • 43.
    Busson, B.
    et al.
    Univ Paris Saclay, Univ Paris Sud, Lab Chim Phys, CNRS, Batiment 201 P2, F-91405 Orsay, France..
    Dalstein, Laetitia
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry. Univ Paris Saclay, Univ Paris Sud, Lab Chim Phys, CNRS, Batiment 201 P2, F-91405 Orsay, France.;KTH Royal Inst Technol, Dept Chem, Sch Chem Sci & Engn, SE-10044 Stockholm, Sweden.;Acad Sinica, Inst Phys, Taipei 11529, Taiwan..
    Nonlinear optical response of a gold surface in the visible range: A study by two-color sum-frequency generation spectroscopy. III. Simulations of the experimental SFG intensities2018In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 149, no 15, article id 154701Article in journal (Refereed)
    Abstract [en]

    We model the amplitude line shape and absolute phase of the infrared-visible sum-frequency signals produced by a thiolated polycrystalline gold surface as a function of the visible wavelength. We follow two hypotheses: in the interband scenario, the resonant features are attributed to interband transitions, whereas in the effective surface state scenario, they stem mostly from the excitation of surface transitions. We find that both scenarios lead to a satisfactory account of the experimental data and that only free electrons may spill out of the gold bulk, as expected. For the interband scenario, the balance between free and bound electron contributions to sum-frequency generation has to be adjusted to fit the data. The surface transitions are shown to take their origin inside gold and we investigate the surface states involved in such transitions, with a comparison to the silver surfaces. We finally provide a work program dedicated to discriminate between the two scenarios. Published by AIP Publishing.

  • 44.
    Butchosa, Nuria
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    Leijon, Felicia
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    Bulone, Vincent
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    Zhou, Qi
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Stronger cellulose microfibril network structure through the expression of cellulose-binding modules in plant primary cell walls2019In: Cellulose (London), ISSN 0969-0239, E-ISSN 1572-882X, Vol. 26, no 5, p. 3083-3094Article in journal (Refereed)
    Abstract [en]

    Cellulose-binding modules (CBMs) are non-catalytic domains typically occurring in glycoside hydrolases. Their specific interaction with diverse polysaccharides assists hydrolysis by the catalytic subunits. In this work, we have exploited the interactions between a CBM from family 3 (CBM3) and cell wall polysaccharides to alter the structure and mechanical properties of cellulose microfibrils from BY-2 tobacco cell suspension cultures. A CBM3 from Clostridium thermocellum was overexpressed in the cells using Agrobacterium-mediated transformation. Water suspensions of cellulose microfibrils were prepared by the removal of the non-cellulosic components of the primary cell walls, followed by mild disintegration using sonication. The morphology of the microfibrils was characterized by transmission electron microscopy and atomic force microscopy. These cellulose microfibrils were further hydrolyzed with 64wt% sulfuric acid to produce cellulose nanocrystals (CNCs). The average length of CNCs prepared from the CBM3-transformed cells was 201nm, higher than that from the wild-type cells (122nm). In addition, the mechanical properties and deformation mechanism of nanopapers prepared from suspensions of cellulose microfibrils were investigated. The nanopapers obtained from the CBM3-transformed cells exhibited enhanced tensile strength and work of fracture, 40% and 128% higher than those prepared from wild-type tobacco cells, respectively. [GRAPHICS] .

  • 45. Butchosa, Núria
    et al.
    Leijon, Felicia
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    Bulone, Vincent
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    Zhou, Qi
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Glycoscience.
    Stronger cellulose microfibrils network structure through the expression of cellulose-binding modules in plant primary cell wallsManuscript (preprint) (Other academic)
  • 46.
    Cai, Bin
    et al.
    DUT, DUT KTH Joint Educ & Res Ctr Mol Devices, Inst Artificial Photosynth, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Yang, Xichuan
    DUT, DUT KTH Joint Educ & Res Ctr Mol Devices, Inst Artificial Photosynth, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Jiang, Xiaoqing
    DUT, DUT KTH Joint Educ & Res Ctr Mol Devices, Inst Artificial Photosynth, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Yu, Ze
    DUT, DUT KTH Joint Educ & Res Ctr Mol Devices, Inst Artificial Photosynth, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Hagfeldt, Anders
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland..
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration2019In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 7, no 24, p. 14835-14841Article in journal (Refereed)
    Abstract [en]

    The development of facilely synthesized, dopant-free hole-transporting materials (HTMs) with high efficiency is of great significance for the potential application of perovskite solar cells (PSCs). Herein, we report two novel indolo[3,2-b]carbazole (ICZ) based small molecules obtained via a three-step reaction in a high yield without using expensive catalysts, namely C201 and C202, and further apply them as dopant-free HTMs in PSCs. Compared with C201, C202 contains two additional biphenylamino groups to improve its spatial configuration. It is found that the interplay between the molecular geometry and the aggregation behavior can exert a great influence on the film formation property and thus on the device performance. Strikingly, the champion devices employing C202 as the HTM deliver a much higher PCE of up to 17.7%, which is substantially higher than that of devices containing C201 (8.7%) under 100 mW cm(-2) illumination (AM 1.5G). It is revealed that the C202 capping layer exhibits a more homogeneous and uniform surface morphology as compared to that of C201, which effectively reduces the charge recombination losses and facilitates charge extraction, leading to a much-enhanced photovoltaic performance. This is the first example of ICZ core-based small molecules as dopant-free HTMs in PSCs. Moreover, the PSCs containing C202 as the HTM also exhibited good long-term stability under ambient conditions (40% RH) as compared to devices with doped spiro-OMeTAD, due largely to the hydrophobic nature of C202 which prevented moisture from destroying the perovskite film. This work offers a new avenue for developing cost-effective and stable HTMs for PSCs and other optoelectronic devices.

  • 47.
    Cai, Bin
    et al.
    DUT, State Key Lab Fine Chem, Inst Artificial Photosynth, DUT KTH Joint Educ & Res Ctr Mol Devices, Dalian 116024, Liaoning, Peoples R China..
    Yang, Xichuan
    DUT, State Key Lab Fine Chem, Inst Artificial Photosynth, DUT KTH Joint Educ & Res Ctr Mol Devices, Dalian 116024, Liaoning, Peoples R China..
    Wang, Haoxin
    DUT, State Key Lab Fine Chem, Inst Artificial Photosynth, DUT KTH Joint Educ & Res Ctr Mol Devices, Dalian 116024, Liaoning, Peoples R China..
    Wang, Weihan
    DUT, State Key Lab Fine Chem, Inst Artificial Photosynth, DUT KTH Joint Educ & Res Ctr Mol Devices, Dalian 116024, Liaoning, Peoples R China..
    An, Jincheng
    DUT, State Key Lab Fine Chem, Inst Artificial Photosynth, DUT KTH Joint Educ & Res Ctr Mol Devices, Dalian 116024, Liaoning, Peoples R China..
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry. DUT, State Key Lab Fine Chem, Inst Artificial Photosynth, DUT KTH Joint Educ & Res Ctr Mol Devices, Dalian 116024, Liaoning, Peoples R China.
    High isotropic dispiro structure hole transporting materials for planar perovskite solar cells2019In: Journal of Energy Challenges and Mechanics, ISSN 2095-4956, E-ISSN 2056-9386, Vol. 32, p. 152-158Article in journal (Refereed)
    Abstract [en]

    Two novel fluorene-based hole transporting materials (HTMs) were synthesized to be used in perovskite solar cells (PSCs). C102 was designed based on C101 by simply linking the two carbon-carbon single bonds to compose a "dispiro" structure. Their typically similar structures cause them sharing almost the same energy levels. However, their photovoltaic performances are quite different due to the small variations. The PSC that contained the "dispiro" structure, C102, reached a power conversion efficiency (PCE) of 17.4%, while the device contained C101, obtained a lower PCE of 15.5%. Electrochemical properties and Photovoltaic characterization of the two materials have been investigated to explain the result. It is shown that C102 has a stronger ability to transport holes and resist the charge recombination. Thus, the dispiro structure should be more appropriate being used as HTM in PSCs. Physics, Chinese Academy of Sciences.

  • 48.
    Cao, Yanhui
    et al.
    Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Dept Chem, Coll Chem & Chem Engn, Xiamen 361005, Fujian, Peoples R China..
    Zheng, Dajiang
    Xiamen Univ, Coll Mat, Xiamen 361005, Fujian, Peoples R China..
    Dong, Shigang
    Xiamen Univ, Coll Energy, Xiamen 361005, Fujian, Peoples R China.;Xiamen Univ, Sch Energy Res, Xiamen 361005, Fujian, Peoples R China..
    Zhang, Fan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Lin, Jinyan
    Xiamen Univ, Coll Mat, Xiamen 361005, Fujian, Peoples R China..
    Wang, Cheng
    Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Dept Chem, Coll Chem & Chem Engn, Xiamen 361005, Fujian, Peoples R China..
    Lin, Changjian
    Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Dept Chem, Coll Chem & Chem Engn, Xiamen 361005, Fujian, Peoples R China.;Xiamen Univ, Coll Mat, Xiamen 361005, Fujian, Peoples R China.;Xiamen Univ, Coll Energy, Xiamen 361005, Fujian, Peoples R China.;Xiamen Univ, Sch Energy Res, Xiamen 361005, Fujian, Peoples R China..
    A Composite Corrosion Inhibitor of MgAl Layered Double Hydroxides Co-Intercalated with Hydroxide and Organic Anions for Carbon Steel in Simulated Carbonated Concrete Pore Solutions2019In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111, Vol. 166, no 11, p. C3106-C3113Article in journal (Refereed)
    Abstract [en]

    Corrosion of steel in concrete has resulted in shorter service life of concrete constructions and it may also cause serious safety accident. Chloride attack and carbonation of the concrete are two of the most crucial trigger factors for the initiation of corrosion. In order to protect the reinforced steel in concrete from corrosion, in this work, a composite inhibitor of layered double hydroxides (LDHs) intercalated with organic phthalates (PTL) and hydroxide ions (MgAl-LDHs-OH-PTL) were synthesized by calcination-reconstruction methods in ambient atmosphere. The structure, composition and morphology of the prepared MgAl-LDHs-OH-PTL were obtained by X-ray diffraction, Fourier transform infrared spectroscopy and Scanning Electron Microscopy, respectively. The electrochemical measurements indicated that the inhibition efficiency of MgAl-LDHs-OH-PTL for carbon steel in the simulated carbonated concrete pore (SCCP) solutions reached more than 90% when its concentration was 20 g/L. It was found that the MgAl-LDHs-OH-PTL possessed multifunctional protection roles for the carbon steel in concrete, which mainly included decrease of aggressive Cl-ions, increase of the pH of SCCP solutions and release of PTL anions to the solution gradually. The work indicated the promising potential of LDHs compounds as effective multifunctional inhibitors in the field of corrosion protection of reinforced concrete.

  • 49.
    Cappellini, Francesca
    et al.
    Karolinska Inst, Inst Environm Med, Stockholm, Sweden..
    Hedberg, Yolanda
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. Karolinska Inst, Inst Environm Med, Stockholm, Sweden.
    McCarrick, Sarah
    Karolinska Inst, Inst Environm Med, Stockholm, Sweden..
    Hedberg, Jonas
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Derr, Remco
    Toxys, Leiden, Netherlands..
    Hendriks, Giel
    Toxys, Leiden, Netherlands..
    Odnevall Wallinder, Inger
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Karlsson, Hanna L.
    Karolinska Inst, Inst Environm Med, Stockholm, Sweden..
    Mechanistic insight into reactivity and (geno)toxicity of well-characterized nanoparticles of cobalt metal and oxides2018In: Nanotoxicology, ISSN 1743-5390, E-ISSN 1743-5404, Vol. 12, no 6, p. 602-620Article in journal (Refereed)
    Abstract [en]

    An increasing use of cobalt (Co)-based nanoparticles (NPs) in different applications and exposures at occupational settings triggers the need for toxicity assessment. Improved understanding regarding the physiochemical characteristics of Co metal NPs and different oxides in combination with assessment of toxicity and mechanisms may facilitate decisions for grouping during risk assessment. The aim of this study was to gain mechanistic insights in the correlation between NP reactivity and toxicity of three different Co-based NPs (Co, CoO, and Co3O4) by using various tools for characterization, traditional toxicity assays, as well as six reporter cell lines (ToxTracker) for rapid detection of signaling pathways of relevance for carcinogenicity. The results showed cellular uptake of all NPs in lung cells and induction of DNA strand breaks and oxidative damage (comet assay) by Co and CoO NPs. In-depth studies on the ROS generation showed high reactivity of Co, lower for CoO, and no reactivity of Co3O4 NPs. The reactivity depended on the corrosion and transformation/dissolution properties of the particles and the media highlighting the role of the surface oxide and metal speciation as also confirmed by in silico modeling. By using ToxTracker, Co NPs were shown to be highly cytotoxic and induced reporters related to oxidative stress (Nrf2 signaling) and DNA strand breaks. Similar effects were observed for CoO NPs but at higher concentrations, whereas the Co3O4 NPs were inactive at all concentrations tested. In conclusion, our study suggests that Co and CoO NPs, but not Co3O4, may be grouped together for risk assessment.

  • 50.
    Chang, Tingru
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science.
    Atmospheric corrosion of copper and copper-based alloys in architecture: from native surface oxides to fully developed patinas2018Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Copper and copper-based alloys are commonly used in both ancient and modern architecture. This requires an in-depth fundamental and applied understanding on their atmospheric corrosion behavior at different climatic, environmental and pollutant levels and how these parameters influence e.g. corrosion initiation, patina characteristics, aesthetic appearances, corrosion rates, and runoff rates. This doctoral thesis elucidates the role of native surface oxides on the corrosion performance, corrosion initiation, formation and evolution of corrosion products from hours to months, years and even centuries, to diffuse dispersion of metals from Cu metal/Cu alloy surfaces focusing on the roles of alloying elements, microstructure, and deposition of chlorides. In-depth investigations have been performed at both laboratory and field conditions on commercial Cu metal and copper-based alloys of a golden alloy (Cu5Zn5Al1Sn) and Sn-bronzes (Cu4Sn, Cu6Sn). Patina characteristics and relations to the presence of microstructural inclusions have in addition been investigated for historic patinas of Cu metal roofing of different age and origin, highlighted with data for a 400 years old Cu patina exposed at urban conditions.

    A multi-analytical approach comprising microscopic, spectroscopic and electrochemical methods was employed for in-depth investigations of surface characteristics and bulk properties. Electron backscattered diffraction (EBSD) was utilized to characterize the microstructure. Auger electron spectroscopy (scanning-AES), X-ray photoelectron spectroscopy (XPS), glow discharge optical emission spectroscopy (GDOES) were employed for surface chemical compositional analysis, and atomic absorption spectroscopy (AAS) to assess the amount of metal release from the patinas. Cathodic reduction (CR) and electrochemical impedance spectroscopy (EIS) were used to assess the amount and corrosion resistance of corrosion products formed at laboratory conditions. Confocal Raman micro-spectroscopy (CRM), infrared reflection absorption spectroscopy (IRAS) and grazing incidence X-ray diffraction (GIXRD) were used to identify the phases of corrosion products. Colorimetry was used to assess surface appearances.

    Cu5Zn5Al1Sn and Cu4Sn/Cu6Sn exhibit favorable bulk properties with respect to corrosion in terms of smaller grain size compared with Cu metal and show non-significant surface compositional variations. The presence of multi-component native oxides predominantly composed of Cu2O enriched with Sn-oxides on Cu4Sn/Cu6Sn, and with ZnO, SnO2 and Al2O3 on Cu5Zn5Al1Sn, improves the barrier properties of the native surface oxides and the overall corrosion resistance of Cu4Sn/Cu6Sn and Cu5Zn5Al1Sn. The formation of Zn/Al/Sn-containing corrosion products (e.g. Zn5(CO3)2(OH)6 and Zn6Al2(OH)16CO3·4H2O) significantly reduces the corrosion rate of Cu5Zn5Al1Sn in chloride-rich environments. Alloying with Sn reduces the corrosion rate of Sn-bronze at urban environments of low chloride levels but results in enhanced corrosion rates at chloride-rich marine conditions.

    A clear dual-layer structure patina was observed for centuries-old naturally patinated copper metal with an origin from the roof of Queen Anne's Summer Palace in Prague, the Czech Republic. The patina comprises an inner sub-layer of Cu2O and an outer sub-layer of Cu4SO4(OH)6/Cu3SO4(OH)4. Abundant relatively noble inclusions (mainly rosiaite (PbSb2O6)) were observed and incorporated in both the copper matrix and the patina. The largest inclusions of higher nobility than the surrounding material create significant micro-galvanic effects that result in a fragmentized patina and large thickness ratios between the Cu4SO4(OH)6/Cu3SO4(OH)4 and the Cu2O sub-layer, investigated via a statistical analysis of inclusions and patina characteristics of eight different historic urban copper patinas.

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