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Metathesis Activity Encoded in the Metallacyclobutane Carbon-13 NMR Chemical Shift Tensors 
Gordon, Christopher P.; Yamamoto, Keishi; Liao, Wei-Chih; Allouche, Florian; Andersen, Richard A; Copéret, Christophe; Raynaud, Christophe; Eisenstein, Odile (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Metallacyclobutanes are an important class of organometallic intermediates, due to their role in olefin metathesis. They can have either planar or puckered rings associated with characteristic chemical and physical properties. ...
Import, use, and emissions of PCBs in Switzerland from 1930 to 2100 
Glüge, Juliane; Steinlin, Christine; Schalles, Simone; Wegmann, Lukas; Josef, Tremp; Breivik, Knut; Hungerbühler, Konrad; Bogdal, Christian (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Polychlorinated biphenyls (PCBs) are persistent organic compounds that are ubiquitously found in the environment. Their use and manufacture were restricted or banned in many countries in the 1970±1980s, however, they still ...
Electrochemical performance of Co3O4/CeO2 electrodes in H2S/H2O atmospheres in a proton-conducting ceramic symmetrical cell with BaZr0.7Ce0.2Y0.1O3 solid electrolyte 
Kraia, Tzouliana; Wachowski, Sebastian Lech; Vøllestad, Einar; Strandbakke, Ragnar; Konsolakis, M.; Norby, Truls Eivind; Marnellos, G.E. (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The electrochemical performance of Co3O4/CeO2 mixed oxide materials as electrodes, when exposed to H2S/H2O atmospheres, was examined employing a proton conducting symmetrical cell, with BaZr0.7Ce0.2Y0.1O3 (BZCY72) as the ...
The Role of Solvent Polarity on Low-Temperature Methanol Synthesis Catalyzed by Cu Nanoparticles 
Ahoba-Sam, Christian; Olsbye, Unni; Jens, Klaus-Joachim (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Methanol syntheses at low temperature in a liquid medium present an opportunity for full syngas conversion per pass. The aim of this work was to study the role of solvents polarity on low-temperature methanol synthesis ...
Effect of Benzoic Acid as a Modulator in the Structure of UiO-66: An Experimental and Computational Study 
Atzori, Cesare; Shearer, Greig Charles; Maschio, Lorenzo; Civalleri, Bartolomeo; Bonino, Francesca; Lamberti, Carlo; Svelle, Stian; Lillerud, Karl Petter; Bordiga, Silvia (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The identification and quantification of defects are undoubtedly thorough challenges in the characterization of “defect-engineered” metal–organic frameworks (MOFs). UiO-66, known for its exceptional stability and defect ...
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models 
Høyvik, Ida-Marie; Heilemann Myhre, Rolf; Koch, Henrik (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
In this article, we present a black-box approach for the selection of orbital spaces when computing core excitation energies in the multilevel coupled cluster (MLCC) framework. Information available from the lower level ...
Thermogravimetric Analysis – A Viable Method for Screening Novel Materials for the Sorbent Enhanced Water-gas Shift Process 
Lundvall, Fredrik; Kalantzopoulos, Georgios N.; Wragg, David; Arstad, Bjørnar; Blom, Richard; Sjåstad, Anja Olafsen; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Pre-combustion CO2 capture technologies are becoming viable alternatives to more conventional post-combustion capture by gas emissions scrubbing. The sorbent enhanced water-gas shift (SEWGS) process is a promising future ...
1H, 13C, 15N backbone assignment of the human heat-labile enterotoxin B-pentamer and chemical shift mapping of neolactotetraose binding 
Hatlem, Daniel; Heggelund, Julie Elisabeth; Burschowsky, Daniel; Krengel, Ute; Kristiansen, Per Eugen (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The major virulence factor of enterotoxigenic Escherichia coli is the heat-labile enterotoxin (LT), an AB5 toxin closely related to the cholera toxin. LT consists of six subunits, the catalytically active A-subunit and ...
Structure-deactivation relationships in zeolites during the methanol–to-hydrocarbons reaction: Complementary assessments of the coke content 
Rojo-Gama, Daniel; Signorile, Matteo; Bonino, Francesca; Bordiga, Silvia; Olsbye, Unni; Lillerud, Karl Petter; Beato, Pablo; Svelle, Stian (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
Catalyst deactivation during the methanol-to-hydrocarbons (MTH) reaction was investigated using five different commercially prepared microporous catalysts, including Mordenite, ZSM-22, ZSM-5, zeolite Beta and SAPO-34. The ...
Methane to methanol: structure-activity relationships for Cu-CHA 
Pappas, Dimitrios; Borfecchia, Elisa; Dyballa, Michael Martin; Pankin, Ilia A.; Lomachenko, Kirill A.; Martini, Andrea; Signorile, Matteo; Teketel, Shewangizaw; Arstad, Bjørnar; Berlier, Gloria; Lamberti, Carlo; Bordiga, Silvia; Olsbye, Unni; Lillerud, Karl Petter; Svelle, Stian; Beato, Pablo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
Cu-exchanged zeolites possess active sites that are able to cleave the C–H bond of methane at temperatures ≤200 °C, enabling its selective partial oxidation to methanol. Herein we explore this process over Cu-SSZ-13 ...
Zn vacancy formation, Zn evaporation and decomposition of ZnSb at elevated temperatures: Influence on the microstructure and the electrical properties 
Song, Xin; Schrade, Matthias; Maso Carcases, Nahum; Finstad, Terje (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The influence of annealing on the microstructure and electrical properties of undoped polycrystalline ZnSb samples has been investigated by different experimental techniques. In situ XRD in an argon at- mosphere showed ...
A Straightforward Descriptor for the Deactivation of Zeolite Catalyst H-ZSM-5 
Rojo-Gama, Daniel; Nielsen, Malte; Wragg, David; Dyballa, Michael Martin; Holzinger, Julian; Falsig, Hanne; Lundegaard, Lars Fahl; Beato, Pablo; Brogaard, Rasmus Yding; Lillerud, Karl Petter; Olsbye, Unni; Svelle, Stian (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
ZSM-5 is a widely used zeolite catalyst and is employed industrially for the methanol to gasoline (MTG) process. Even so, deactivation of ZSM-5 by coke formation constitutes a major technical and also fundamental challenge. ...
The α and γ plasma modes in plasma-enhanced atomic layer deposition with O2-N2 capacitive discharges 
Napari, M; Tarvainen, O; Kinnunen, S; Arstila, K; Julin, J; Fjellvåg, Øystein Slagtern; Weibye, Kristian; Nilsen, Ola; Sajavaara, T (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
Two distinguishable plasma modes in the O2–N2 radio frequency capacitively coupled plasma (CCP) used in remote plasma-enhanced atomic layer deposition (PEALD) were observed. Optical emission spectroscopy and spectra ...
Understanding of Cyclic Volatile Methyl Siloxane Fate in a High Latitude Lake Is Constrained by Uncertainty in Organic Carbon− Water Partitioning 
Krogseth, Ingjerd Sunde; Whelan, Mick; Christensen, Guttorm N; Breivik, Knut; Evenset, Anita; Warner, Nick A. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Cyclic volatile methyl siloxanes (cVMS) are emitted to aquatic environments with wastewater effluents. Here, we evaluate the environmental behavior of three cVMS compounds (octamethylcyclotetrasiloxane (D4), decamethylcy ...
Relating defect chemistry and electronic transport in the double perovskite Ba1-xGd0.8La0.2+xCo2O6-d (BGLC) 
Vøllestad, Einar; Schrade, Matthias; Segalini, Julie; Strandbakke, Ragnar; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
Rare earth double perovskites comprise a class of functional oxides with interesting physiochemical properties both for low- and high-temperature applications. However, little can be found relating electrical properties ...
A Sampling Line Artifact in Stack Emission Measurement of Alkanolamine-enabled Carbon Capture Facility: Surface Reaction of Amines with Formaldehyde 
Zhu, Liang; Mikoviny, Tomas; Wisthaler, Armin; Nielsen, Claus Jørgen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Laboratory experiments were carried out to study Schiff-base condensation reactions between amines and formaldehyde that occur on inlet lines of emission monitoring instruments. Primary amines and formaldehyde were found ...
Degradation and emission results of amine plant operations from MEA testing at the CO2 technology centre Mongstad 
Morken, Anne Kolstad; Pedersen, Steinar; Kleppe, Eirik Romslo; Wisthaler, Armin; Vernstad, Kai; Ullestad, Øyvind; Flø, Nina Enaasen; Faramarzi, Leila; Hamborg, Espen Steinseth (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
In 2015, the CO2 Technology Centre Mongstad (TCM DA), operated a test campaign using aqueous monoethanolamine (MEA) solvent at 30 wt%. The main objective was to demonstrate and document the performance of the TCM DA Amine ...
New insights into the column CH2O/NO2 ratio as an indicator of near-surface ozone sensitivity 
Schroeder, Jason R.; Crawford, James H.; Fried, Alan; Walega, James; Weinheimer, Andrew; Wisthaler, Armin; Muller, Markus; Mikoviny, Tomas; Chen, Gao; Shook, Michael; Blake, Donald R; Tonnesen, Gail S (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Satellite-based measurements of the column CH2O/NO2 ratio have previously been used to estimate near-surface ozone (O3) sensitivity (i.e., NOx or VOC limited), and the forthcoming launch of air quality-focused geostationary ...
In situ measurements of water uptake by black carbon-containing aerosol in wildfire plumes 
Perring, Anne E.; Schwarz, Joshua P.; Markovic, Milos Z.; Fahey, David W.; Jimenez, José L.; Campuzano-Jost, Pedro; Palm, Brett D.; Wisthaler, Armin; Mikoviny, Tomas; Diskin, Glenn; Sachse, Glen; Ziemba, Luke; Anderson, Bruce; Shingler, Taylor; Crosbie, Ewan; Sorooshian, Armin; Yokelson, Robert; Gao, Ru-Shan (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Water uptake by black carbon (BC)-containing aerosol was quantified in North American wildfire plumes of varying age (1 to ~40 h old) sampled during the SEAC4RS mission (2013). A Humidified Dual SP2 (HD-SP2) is used to ...
Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite 
Lukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The synthesis, characterization and catalytic performance of offretite with four distinct crystal morphologies (oval, hexagonal, broccoli-like, and spherical) are presented. As a member of the ABC-6 family of zeolite ...
Connections between variation principles at the interface of wave-function and density-functional theories 
Irons, Tom J P; Furness, James W.; Ryley, Matthew S.; Zemen, Jan; Helgaker, Trygve; Teale, Andrew Michael (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
A recently proposed variation principle [N. I. Gidopoulos, Phys. Rev. A 83, 040502(R) (2011)] for the determination of Kohn–Sham effective potentials is examined and extended to arbitrary electron-interaction strengths and ...
Conversion of methanol to hydrocarbons over zeolite ZSM-23 (MTT): Exceptional effects of particle size on catalyst lifetime. 
Molino, Andrea; Lukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Lillerud, Karl Petter; Olsbye, Unni; Bordiga, Silvia; Svelle, Stian; Beato, Pablo (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
A variety of synthetic procedures have been used to obtain zeolite ZSM-23 (MTT) catalysts with crystallite sizes ranging from the micrometer to nanometer scale. When the acidic zeolite is used as catalyst for the Methanol ...
From Colloidal Monodisperse Nickel Nanoparticles to Well-Defined Ni/Al2O3 Model Catalysts 
Zacharaki, Eirini; Beato, Pablo; Tiruvalam, Ramchandra R; Andersson, Klas J.; Fjellvåg, Helmer; Sjåstad, Anja Olafsen (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
In the past few decades, advances in colloidal nanoparticle synthesis have created new possibilities for the preparation of supported model catalysts. However, effective removal of surfactants is a prerequisite to evaluate ...
On the formation of inclusion complexes at the solid/liquid interface of anchored temperature-responsive PNIPAAM diblock copolymers with γ-cyclodextrin 
Lazzara, Giuseppe; Campbell, Richard A; Bayati, Solmaz; Zhu, Kaizheng; Nyström, Bo; Nylander, Tommy; Schillén, Karin (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
The thermal responsive behavior of adsorbed layers of diblock copolymers of poly(N-isopropylacrylamide) (PNIPAAM) and poly((3-acrylamidopropyl)trimethylammonium chloride) (PAMPTMA(+)) with γ-cyclodextrin (γ-CD) at the ...
Closed-shell paramagnetic porphyrinoids 
Valiev, Rashid R.; Fliegl, Heike; Sundholm, Dage (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Magnetizabilities and magnetically induced ring-current strength susceptibilities have been calculated at the Hartree–Fock, density functional theory and second order Møller–Plesset levels for a number of antiaromatic ...
Layered microstructures based on BaZr0.85Y0.15O3−δ by pulsed laser deposition for metal-supported proton ceramic electrolyser cells 
Stefan, Elena; Stange, Marit Synnøve Sæverud; Denonville, Christelle; Larring, Yngve; Hildenbrand, Nicolas; Norby, Truls Eivind; Haugsrud, Reidar (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
Planar metal-supported cell designs provide cost-effective scaling-up of solid oxide fuel cells and electrolysers. Here, we report on the fabrication of a BaZr0.85Y0.15O3−δ–NiO (BZY15–NiO) composite electrode and ...
Bioactive titaminates from molecular layer deposition 
Momtazi, Leva; Sønsteby, Henrik Hovde; Dartt, DA; Eidet, Jon Roger; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Organic–inorganic hybrid materials are an emerging class of materials suitable for deposition by the molecular layer deposition (MLD) technique. Their toolbox is now expanded to include linkers of amino acids, which when ...
Assessment of a novel device for onsite integrative large-volume solid phase extraction of water samples to enable a comprehensive chemical and effect-based analysis 
Schulze, Tobias; Ahel, Marijan; Ahlheim, Jorg; Ait-Aissa, Selim; Brion, Francois; Di Paolo, Carolina; Froment, Jean Francois; Hidasi, Anita O; Hollender, Juliane; Hollert, Henner; Hu, Meng; Kloss, Anett; Koprivica, Sanja; Krauss, Martin; Muz, Melis; Oswald, Peter; Petre, Margit; Schollee, Jennifer E; Seiler, Thomas-Benjamin; Shao, Ying; Slobodnik, Jaroslav; Sonavane, Manoj; Suter, Marc J-F; Tollefsen, Knut Erik; Tousova, Zuzana; Walz, Karl-Heinz; Brack, Werner (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
The implementation of targeted and nontargeted chemical screening analysis in combination with in vitro and organism-level bioassays is a prerequisite for a more holistic monitoring of water quality in the future. For ...
Luminescent YbVO4 by atomic layer deposition 
Getz, Michael; Hansen, Per-Anders; Ahmed, Mohammed Amin Karim; Fjellvåg, Helmer; Nilsen, Ola (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
UV to visible and near-infrared converting thin films of YbVO4 have been deposited by atomic layer deposition, using the precursor combinations Yb(thd)3 (thd = 2,2,6,6-tetramethyl-3,5-heptanedione) and O3, and VO(thd)2 and ...
Crystal structure of catena-poly[[[aqua­bis­(di­methyl­formamide-κO)magnesium(II)]-μ3-(2,2′-bi­pyridine-5,5′-di­carboxyl­ato-κ5O2:O2′:N,N′:O5)-[di­chlorido­platinum(II)]] di­methyl­formamide monosolvate] 
Lundvall, Fredrik; Tilset, Mats (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
The title compound, {[MgPtCl2(C12H6N2O4)(C3H7NO)2(H2O)] C3H7NO}n, is a one-dimensional coordination polymer. The structure consists of Pt-functionalized bipyridine ligands connected by MgII cations, as well as coordinating ...
Rugged Large Volume Injection for Sensitive Capillary LC-MS Environmental Monitoring 
Røberg-Larsen, Hanne; Abele, Silvija; Demir, Deniz; Dzabijeva, Diana; Amundsen, Sunniva Furre; Wilson, Steven Ray Haakon; Bartkevics, Vadims; Lundanes, Elsa (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
A rugged and high throughput capillary column (cLC) LC-MS switching platform using large volume injection and on-line automatic filtration and filter back-flush (AFFL) solid phase extraction (SPE) for analysis of environmental ...
On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability 
Wirz, Lukas Nico; Reine, Simen Sommerfelt; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The definiteness of the Mulliken and Dirac electron repulsion integral (ERI) matrices is examined for different classes of resolution-of-the-identity (RI) ERI approximations with particular focus on local fitting techniques. ...
trans-Mutation at Gold(III): A mechanistic study of a catalytic acetylene functionalization via a double insertion pathway 
Holmsen, Marte Sofie; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
The Au(III) complex Au(tpy)(OAcF)2 (OAcF = OCOCF3; tpy = 2-(p-tolyl)pyridine) catalyzes the anti addition of trifluoroacetic acid (HOAcF) to acetylene to furnish vinyl trifluoroacetate. The Au(III) vinyl complex ...
Structural characterization of bioactive heteropolysaccharides from the medicinal fungus Inonotus obliquus (Chaga). 
Wold, Christian Winther; Kjeldsen, Christian; Corthay, Alexandre; Rise, Frode; Christiansen, Bjørn E.; Duus, Jens Øllgaard; Inngjerdingen, Kari Tvete (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The aim of this paper was to perform a comprehensive characterization of polysaccharides isolated from the interior (IOI) and exterior (IOE) parts of the fungus Inonotus obliquus. Pre-extraction with DCM and MeOH, followed ...
First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs 
Bianchini, Federico; Fjellvåg, Helmer; Vajeeston, Ponniah (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
Sodium orthosilicates Na2MSiO4 (M = Mn, Fe, Co and Ni) have attracted much attention due to the possibility of exchanging two electrons per formula unit. They are also found to exhibit great structural stability due to a ...
First-principles study of structural stability, dynamical and mechanical properties of Li2FeSiO4 polymorphs 
Vajeeston, Ponniah; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h g−1). However, its development has faced significant challenges arising from structural ...
Computational Modeling of Novel Bulk Materials for the Intermediate-Band Solar Cells 
Rasukkannu, Murugesan; Velauthapillai, Dhayalan; Vajeeston, Ponniah (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Research communities have been studying materials with intermediate bands (IBs) in the middle of the band gap to produce efficient solar cells. Cells based on these materials could reach theoretical efficiencies up to ...
Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics 
Heggelund, Julie Elisabeth; Mackenzie, Alasdair; Martinsen, Tobias; Heim, Joël Benjamin; Cheshev, Pavel; Bernardi, Anna; Krengel, Ute (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Cholera is a life-threatening disease in many countries, and new drugs are clearly needed. C-glycosidic antagonists may serve such a purpose. Here we report atomic-resolution crystal structures of three such compounds in ...
Thermal and Structural Aspects of the Hydride-Conducting Oxyhydride La2LiHO3 Obtained via a Halide Flux Method 
Fjellvåg, Øystein Slagtern; Armstrong, Jeff; Slawinski, Wojciech Andrzej; Sjåstad, Anja Olafsen (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
Oxyhydrides, in which oxide and hydride anions share the same anionic lattice, are relatively rare compounds. La2LiHO3 belongs to this family. We report the synthesis of La2LiHO3 by means of an alkali halide flux method, ...
Luminescent properties of europium titanium phosphate thin films deposited by atomic layer deposition 
Getz, Michael; Hansen, Per-Anders; Fjellvåg, Helmer; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
In the present contribution we assess the luminescent properties of amorphous europium titanium phosphate thin films. The films have been deposited by atomic layer deposition, using the precursor combinations Eu(thd)3 (thd ...
Chemical Structures of Specific Sodium Ion Battery Components Determined by Operando Pair Distribution Function and X-ray Diffraction Computed Tomography 
Sottmann, Jonas; Di Michiel, Marco; Fjellvåg, Helmer; Malavasi, Lorenzo; Margadonna, Serena; Vajeeston, Ponniah; Vaughan, Gavin B M; Wragg, David (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
To improve lithium and sodium ion battery technology, it is imperative to understand how the properties of the different components are controlled by their chemical structures. Operando structural studies give us some of ...
Solid-state photoelectrochemical cell with TiO2 nanotubes for water splitting 
Xu, Kaiqi; Chatzitakis, Athanasios Eleftherios; Norby, Truls (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
We have fabricated and tested a photoelectrochemical (PEC) cell where the aqueous electrolyte has been replaced by a proton conducting hydrated Nafion® polymer membrane. The membrane was sandwiched between a TiO2-based ...
Optical and magnetic properties of antiaromatic porphyrinoids 
Valiev, Rashid R.; Fliegl, Heike; Sundholm, Dage (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
Magnetic and spectroscopic properties of a number of formally antiaromatic carbaporphyrins, carbathiaporphyrins and isophlorins with 4n π electrons have been investigated at density functional theory and ab initio levels ...
Assessing the photoelectrochemical properties of C, N, F codoped TiO2 nanotubes of different lengths 
Chatzitakis, Athanasios Eleftherios; Grandcolas, Mathieu; Xu, Kaiqi; Mei, Sen; Yang, Juan; Jensen, Ingvild Julie Thue; Simon, Christian; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
The aim of this work has been the photoelectrochemical (PEC) study of nanostructured photoanodes based on TiO2. Highly ordered and well adhered TiO2 nanotubes (TNTs) of different lengths (∼2–20 μm) were prepared in a ...
Anti-cancerous effect of albumin coated silver nanoparticles on MDA-MB 231 human breast cancer cell line 
Azizi, Marzieh; Ghourchian, Hedayatoallah; Yazdian, Fatemeh; Bagheri Fam, Shahla; Bekhradnia, Sara; Nyström, Bo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
With the aim of making specific targeting of silver nanoparticles as a drug for tumor cells and developing new anticancer agents, a novel nano-composite was developed. Albumin coated silver nanoparticles (ASNPs) were ...
Relation between Ring Currents and Hydrogenation Enthalpies for Assessing the Degree of Aromaticity 
Kumar, Chandan; Fliegl, Heike; Sundholm, Dage (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
Magnetically induced ring-current strength susceptibilities and nucleus independent chemical shifts (NICS) have been studied for 15 single-ring aromatic, antiaromatic, and nonaromatic molecules. The current densities have ...
Aromaticity introduced by antiferromagnetic ligand mediated metal–metal interactions. Insights from the induced magnetic response in [Cu6(dmPz)6(OH)6] 
Molina, Vanessa; Rauhalahti, Markus; Hurtado, John; Fliegl, Heike; Sundholm, Dage; Munoz-Castro, Alvaro (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
[trans-Cu(μ-OH)(μ-dmpz)]6 (1) exhibits six Cu(II) centers effectively coupled through a ligand mediated mechanism leading to a diamagnetic ground state over a wide temperature range. Here we investigate further magneto-structural ...
Spatial and temporal variations in environmental variables in relation to phytoplankton community structure in a eutrophic river reservoir 
Zhao, Wenxi; Li, Yanying; Jiao, Yongjie; Zhou, Bin; Vogt, Rolf David; Liu, Honglei; Ji, Min; Ma, Zhe; Li, Anding; Zhou, Beihai; Xu, Yaping (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
This study assesses spatial and temporal variation in environmental variables in relation to phytoplankton community size and composition in a typically eutrophic river reservoir (Hai River, northern China). The aim is to ...
SAPO-37 microporous catalysts: revealing the structural transformations during template removal 
Kalantzopoulos, Georgios N.; Lundvall, Fredrik; Lind, Anna Maria; Arstad, Bjørnar; Chernyshov, Dmitry; Fjellvåg, Helmer; Wragg, David (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
We have studied the structural behavior of SAPO-37 during calcination using simultaneous in situ powder X-ray diffraction (PXRD) and mass spectroscopy (MS) in addition to ex situ thermogravimetric analysis (TGA) and ...
Liposomes coated with hydrophobically modified hydroxyethyl cellulose: Influence of hydrophobic chain length and degree of modification 
Smistad, Gro; Nyström, Bo; Zhu, Kaizheng; Grønvold, Marthe Karoline; Røv-Johnsen, Anne; Hiorth, Marianne (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
Nanoparticulate systems with an uncharged hydrophilic surface may have a great potential in mucosal drug delivery. In the present study liposomes were coated with hydrophobically modified hydroxyethyl cellulose (HM-HEC) ...
Comparison of Cu and Pt point-contact electrodes on proton conducting BaZr0.7Ce0.2Y0.1O3−δ 
Robinson, Shay Alexander; Kjølseth, Christian; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
© 2017. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
In situ polymerisation of isoeugenol as a green consolidation method for waterlogged archaeological wood 
McHale, Emily; Steindal, Calin Constantin; Kutzke, Hartmut; Benneche, Tore; Harding, Stephen Ernest (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Waterlogged archaeological wood is often in need of consolidation prior to drying to prevent shrinkage and cracking of the object. There is a need for new greener materials (than for example polyethylene glycol) and methods ...
Development of composite steam electrodes for electrolyzers based on barium zirconate 
Bausa, Nuria; Solis, Cecilia; Strandbakke, Ragnar; Serra, José Manuel (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
La0.6Sr0.4Co0.2Fe0.8O3 − δ (LSCF), La2NiO4 + δ (LNO), La0.87Sr0.13CrO4 (LSC), La0.8Sr0.2MnO3 − δ (LSM) and Ba0.5Sr0.5Co0.8Fe0.2O3 − δ (BSCF) composite anodes deposited on proton-conducting BaCe0.2Zr0.7Y0.1O3 − δ (BCZY27) ...
Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection 
Reimann, Sarah; Borgoo, Alex; Tellgren, Erik; Teale, Andrew Michael; Helgaker, Trygve (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
We study the effects of magnetic fields in the context of magnetic field density-functional theory (BDFT), where the energy is a functional of the electron density ρ and the magnetic field B. We show that this approach is ...
Intense NIR emission in YVO4:Yb3+ thin films by atomic layer deposition 
Getz, Michael; Hansen, Per-Anders Stensby; Fjellvåg, Øystein Slagtern; Ahmed, Mohammed Amin Karim; Fjellvåg, Helmer; Nilsen, Ola (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
We demonstrate controlled deposition by atomic layer deposition of YVO4:Yb3+ thin films exhibiting an intense NIR emission under UV excitation after post-deposition annealing at 1000 °C. The samples are deposited using the ...
High throughput online solid phase extraction-ultra high performance liquid chromatography-tandem mass spectrometry method for polyfluoroalkyl phosphate esters, perfluoroalkyl phosphonates, and other perfluoroalkyl substances in human serum, plasma, and whole blood 
Poothong, Somrutai; Lundanes, Elsa; Thomsen, Cathrine; Haug, Line Småstuen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
A rapid, sensitive and reliable method was developed for the determination of a broad range of poly- and perfluoroalkyl substances (PFASs) in various blood matrices (serum, plasma, and whole blood), and uses only 50 μL of ...
The Role of Information and Knowledge in Achieving Environmentally Sound Farming: A Chinese Case 
Orderud, Geir; Vogt, Rolf David; Tan, Hongze; Luo, Jing (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The paper analyzes the role of information–knowledge for making farming environmentally friendly, using eutrophication of the main drinking water reservoir of Tianjin, China as a case. The analysis considers information ...
Hypothesis: Hypoxia induces de novo synthesis of NeuGc gangliosides in humans through CMAH domain substitute 
Bousquet, Paula; Sandvik, Joe Alexander; Edin, Nina Frederike J; Krengel, Ute (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
Immunotherapy is a growing field in cancer research. A privileged tumor-associated antigen that has received much attention is N-glycolyl (NeuGc) GM3. This ganglioside is present in several types of cancer, but is almost ...
Mechanisms of Protonic Surface Transport in Porous Oxides: Example of YSZ 
Stub, Sindre Østby; Vøllestad, Einar; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
The electrical properties and the charge carrier mechanism of porous 8 mol% yttria-stabilized zirconia (8YSZ) ceramic samples have been investigated over wide ranges of relative humidity (RH) and temperature (25-400 ºC). ...
Reference data set of volcanic ash physicochemical and optical properties 
Vogel, Andreas; Diplas, Spyridon; Durant, Adam; Azar, Amin Shahrestani; Sunding, Martin Fleissner; Rose, William I.; Sytchkova, Anna Krasilnikova; Bonadonna, Costanza; Krüger, Kirstin; Stohl, Andreas (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
A family of papain-like fungal chimerolectins with distinct Ca2+-dependent activation mechanism 
Cordara, Gabriele; Manna, Dipankar; Krengel, Ute (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
An important function of fungal lectins is to protect their host. Marasmius oreades agglutinin (MOA) is toxic to nematodes and exerts its protective effect through protease activity. Its proteolytic function is associated ...
Small molecule piperazinyl-benzimidazole antagonists of the gonadotropin-releasing hormone (GnRH) receptor 
Fjellaksel, Richard; Boomgaren, Marc; Sundset, Rune; Haraldsen, Ira Hebold; Hansen, Jørn H; Riss, Patrick (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
In this communication, we report the synthesis and characterization of a library of small molecule antagonists of the human gonadotropin releasing hormone receptor based upon the 2-(4-tert-butylphenyl)-4-piperazinyl-benzimidazole ...
Quantum chemical modeling of the reaction path of chorismate mutase based on the experimental substrate/product complex 
Burschowsky, Daniel; Krengel, Ute; Uggerud, Einar; Balcells, David (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Chorismate mutase is a well‐known model enzyme, catalyzing the Claisen rearrangement of chorismate to prephenate. Recent high‐resolution crystal structures along the reaction coordinate of this enzyme enabled computational ...
Burst nucleation by hot injection for size controlled synthesis of ε-cobalt nanoparticles 
Zacharaki, Eirini; Kalyva, Maria; Fjellvåg, Helmer; Sjåstad, Anja O (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Comprehensive definition of oxidation state (IUPAC Recommendations 2016) 
Karen, Pavel; McArdle, Patrick; Takats, Josef (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Oxidation state (OS) is defined using ionic approximation of bonds. Two principal algorithms are outlined for OS determination in a chemical compound described by a Lewis formula or bond graph. Typical origins of ambiguous ...
Versatile, sensitive liquid chromatography mass spectrometry–Implementation of 10 μm OT columns suitable for small molecules, peptides and proteins 
Vehus, Tore; Røberg-Larsen, Hanne; Waaler, Jo; Aslaksen, Sigrid; Krauss, Stefan; Wilson, Steven Ray Haakon; Lundanes, Elsa (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence 
Heggelund, Julie Elisabeth; Burschowsky, Daniel; Bjørnestad, Victoria Ariel; Hodnik, Vesna; Anderluh, Gregor; Krengel, Ute (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Cholera is the prime example of blood-group-dependent diseases, with individuals of blood group O experiencing the most severe symptoms. The cholera toxin is the main suspect to cause this relationship. We report the ...
Thiophenone Attenuates Enteropathogenic Escherichia coli O103:H2 Virulence by Interfering with AI-2 Signaling 
Witsø, Ingun Lund; Rukke, Håkon Valen; Benneche, Tore; Scheie, Anne Aamdal (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Interference with bacterial quorum sensing communication provides an anti-virulence strategy to control pathogenic bacteria. Here, using the Enteropathogenic E. coli (EPEC) O103:H2, we showed for the first time that ...
Glutathione-Conjugates of Deoxynivalenol in Naturally Contaminated Grain Are Primarily Linked via the Epoxide Group 
Uhlig, Silvio; Stanic, Ana; Hofgaard, Ingerd S.; Kluger, Bernhard; Schuhmacher, Rainer; Miles, Christopher O. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
A glutathione (GSH) adduct of the mycotoxin 4-deoxynivalenol (DON), together with a range of related conjugates, has recently been tentatively identified by LC-MS of DON-treated wheat spikelets. In this study, we prepared ...
The role of plasma and urine metabolomics in identifying new biomarkers in severe newborn asphyxia: A study of asphyxiated newborn pigs following cardiopulmonary resuscitation 
Sachse, Daniel; Solevåg, Anne Lee; Berg, Jens Petter; Nakstad, Britt (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Background Optimizing resuscitation is important to prevent morbidity and mortality from perinatal asphyxia. The metabolism of cells and tissues is severely disturbed during asphyxia and resuscitation, and metabolomic ...
Synthesis and characterisation of lignin-like oligomers as a bio-inspired consolidant for waterlogged archaeological wood 
McHale, Emily; Steindal, Calin Constantin; Braovac, Susan; Kutzke, Hartmut; Benneche, Tore; Harding, Stephen E.; Gillis, Richard; Adams, Gary (Journal article / Tidsskriftartikkel / SubmittedVersion, 2016)
The development of new materials for the consolidation of waterlogged archaeological wood from sustainable sources is an important area of research, as the most widely used consolidant today is petroleum based. Ideally a ...
Proteomics tools reveal startlingly high amounts of oxytocin in plasma and serum 
Brandtzaeg, Ole Kristian; Johnsen, Elin Follaug; Røberg-Larsen, Hanne; Seip, Knut Fredrik; MacLean, Evan L.; Gesquiere, Laurence R.; Leknes, Siri; Lundanes, Elsa; Wilson, Steven Ray Haakon (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
The neuropeptide oxytocin (OT) is associated with a plethora of social behaviors, and is a key topic at the intersection of psychology and biology. However, tools for measuring OT are still not fully developed. We describe ...
Tracking the global distribution of Persistent Organic Pollutants accounting for e-waste exports to developing regions 
Breivik, Knut; Armitage, James M; Wania, Frank; Sweetman, Andrew J; Jones, Kevin C (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Elevated concentrations of various industrial-use persistent organic pollutants (POPs), such as polychlorinated biphenyls (PCBs), have been reported in some developing areas in sub-tropical and tropical regions known to ...
An Unusual Member of the Papain Superfamily: Mapping the Catalytic Cleft of the Marasmius oreades agglutinin (MOA) with a Caspase Inhibitor 
Cordara, Gabriele; van Eerde, André; Grahn, Elin; Winter, HC; Goldstein, IJ; Krengel, Ute (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Papain-like cysteine proteases (PLCPs) constitute the largest group of thiol-based protein degrading enzymes and are characterized by a highly conserved fold. They are found in bacteria, viruses, plants and animals and ...
The “Making a Murderer” Case: A Brief Description on How EDTA Is Measured in Blood 
Wilson, Steven Ray Haakon; Tolley, Luke (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Modeling Repeatedly Flaring δ Sunspots 
Chatterjee, Piyali; Hansteen, Viggo; Carlsson, Mats (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Active regions (ARs) appearing on the surface of the Sun are classified into α, β, γ, and δ by the rules of the Mount Wilson Observatory, California on the basis of their topological complexity. Amongst these, the δ sunspots ...
Atomic layer deposition of (K,Na)(Nb,Ta)O3 thin films 
Sønsteby, Henrik Hovde; Nilsen, Ola; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Thin films of complex alkali oxides are frequently investigated due to the large range of electric effects that are found in this class of materials. Their piezo- and ferroelectric properties also place them as sustainable ...
Unravelling the fundamentals of thermal and chemical expansion of BaCeO3 from first principles phonon calculations 
Løken, Andreas; Haugsrud, Reidar; Bjørheim, Tor Svendsen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Differentiating chemical and thermal expansion is virtually impossible to achieve experimentally. While thermal expansion stems from a softening of the phonon spectra, chemical expansion depends on the chemical composition ...
On the relationship between chemical expansion and hydration thermodynamics of proton conducting perovskites 
Bjørheim, Tor Svendsen; Løken, Andreas; Haugsrud, Reidar (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
In this contribution, we determine the compositional dependence of the chemical expansion and entropy of hydration of the proton conducting perovskites BaZrO3, BaSnO3, BaCeO3, and SrZrO3 by first principles phonon calculations. ...
Alkali metals as efficient A-site acceptor dopants in proton conducting BaZrO3 
Løken, Andreas; Saeed, Sarmad Waheed; Norderhaug, Marit; Liu, Xin; Bjørheim, Tor Svendsen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
In the present contribution, we assess the efficiency of the alkali metals (Na, K, Rb and Cs) as A-site acceptor dopants in proton conducting BaZrO3 by first principles calculations. The calculated acceptor–proton complexes ...
The structure of low-lying states in 140Sm studied by Coulomb excitation 
Klintefjord, Malin; Hadyńska-Klęk, Katarzyna; Görgen, Andreas; Bauer, C.; Bello Garrote, Frank Leonel; Bönig, S.; Bounthong, B.; Damyanova, A.; Delaroche, J.-P.; Fedosseev, V.; Fink, D.A.; Giacoppo, Francesca; Girod, M.; Hoff, Per; Imai, N.; Korten, W.; Larsen, Ann-Cecilie; Libert, J.; Lutter, R.; Marsh, B.A.; Molkanov, P.L.; Naïdja, H.; Napiorkowski, P.; Nowacki, F.; Pakarinen, J.; Rapisarda, E.; Reiter, P.; Renstrøm, Therese; Rothe, S.; Seliverstov, M.D.; Siebeck, B.; Siem, Sunniva; Srebrny, J.; Stora, T.; Thöle, P.; Tornyi, Tamas Gabor; Tveten, Gry Merete; Van Duppen, P.; Vermeulen, M.J.; Voulot, D.; Warr, N.; Wenander, F.; DeWitte, H.; Zielińska., M. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
The electromagnetic structure of Sm140 was studied in a low-energy Coulomb excitation experiment with a radioactive ion beam from the REX-ISOLDE facility at CERN. The 2+ and 4+ states of the ground-state band and a second ...
Structural and magnetic aspects of La4(Co1-xNix)3O10+δ (0 ≤ x ≤ 1) 
Nagell, Marius Uv; Kumar, Susmit; Sørby, Magnus Helgerud; Fjellvåg, Helmer; Sjåstad, Anja Olafsen (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2015)
The Ruddlesden–Popper (RP3) type oxides, La4Co3O10+δ and La4Ni3O10+δ, form a complete solid solution. Powder X-ray and neutron diffraction data show that La4(Co1−xNix)3O10+δ is isostructural to the monoclinic La4Co3O10+δ ...
Investigation of Theoretical Models for the Elastic Stiffness of Nanoparticle-Modified Polymer Composites 
Thorvaldsen, Tom; Johnsen, Bernt Brønmo; Olsen, Torbjørn; Hansen, Finn Knut (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Mathematical models are investigated and suggested for the calculation of the elastic stiffness of polymer nanocomposites. Particular emphasis is placed on the effect on the elastic stiffness from agglomerates and the ...
Liquid chromatography-mass spectrometry platform for both small neurotransmitters and neuropeptides in blood, With Automatic and robust solid phase extraction 
Johnsen, Elin Follaug; Lundanes, Elsa; Wilson, Steven Ray Haakon; Leknes, Siri (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Neurons communicate via chemical signals called neurotransmitters (NTs). The numerous identified NTs can have very different physiochemical properties (solubility, charge, size etc.), so quantification of the various NT ...
Mechanisms of recognition and binding of α-TTP to the plasma membrane by multi-scale molecular dynamics simulations 
Lamprakis, Christos; Stocker, Achim; Cascella, Michele (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
We used multiple sets of simulations both at the atomistic and coarse-grained level of resolution to investigate interaction and binding of α-tochoperol transfer protein (α-TTP) to phosphatidylinositol phosphate lipids ...
Synthetic Routes to N-9 Alkylated 8-Oxoguanines; Weak Inhibitors of the Human DNA Glycosylase OGG1 
Mahajan, Tushar R.; Ytre-Arne, Mari Eknes; Strøm-Andersen, Pernille; Dalhus, Bjørn; Gundersen, Lise-Lotte (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
The human 8-oxoguanine DNA glycosylase OGG1 is involved in base excision repair (BER), one of several DNA repair mechanisms that may counteract the effects of chemo- and radiation therapy for the treatment of cancer. We ...
Consistency of the recent ATLAS Z + Emiss T excess in a simplified GGM model 
Allanach, Ben; Raklev, Are; Kvellestad, Anders (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
The reactions of N-methylformamide and N,N-dimethylformamide with OH and their photo-oxidation under atmospheric conditions: experimental and theoretical studies 
Bunkan, Arne Joakim Coldevin; Hetzler, Jens; Mikoviny, Tomas; Wisthaler, Armin; Nielsen, Claus Jørgen; Olzmann, Matthias (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
The reactions of OH radicals with CH3NHCHO (N-methylformamide, MF) and (CH3)2NCHO (N,N-dimethylformamide, DMF) have been studied by experimental and computational methods. Rate coefficients were determined as a function ...
Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complex 
Freitag, Leon; Knecht, Stefan; Keller, Sebastian F.; Delcey, Mickaël G.; Aquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland; Reiher, Markus; González, Leticia (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Complete active space self-consistent field (CASSCF) wavefunctions and an orbital entanglement analysis obtained from a density-matrix renormalisation group (DMRG) calculation are used to understand the electronic structure, ...
Green synthesis of zirconium-MOFs 
Reinsch, Helge; Bueken, Bart; Vermoortele, Frederik; Stassen, Ivo; Lieb, Alexandra; Lillerud, Karl Petter; De Vos, Dirk (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
The synthesis of Zr-MOFs under green, industrially feasible conditions was investigated. Two new compounds with bcu-topology and the fluorinated analogue of UiO-66 exhibiting fcu-topology were obtained and characterised. ...
An in-depth assessment into simultaneous monitoring of dissolved reactive phosphorus (DRP) and low-molecular-weight organic phosphorus (LMWOP) in aquatic environments using diffusive gradients in thin films (DGT) 
Mohr, Christian Wilhelm; Vogt, Rolf David; Røyset, Oddvar; Andersen, Tom; Parekh, Neha (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Long-term laborious and thus costly monitoring of phosphorus (P) fractions is required in order to provide reasonable estimates of the levels of bioavailable phosphorus for eutrophication studies. A practical solution to ...
Nucleophilic Addition of Thiols to Deoxynivalenol 
Stanic, Ana; Uhlig, Silvio; Solhaug, Anita; Rise, Frode; Wilkins, Alistair L.; Miles, Christopher O. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Conjugation of deoxynivalenol (DON) with sulfur compounds is recognized as a significant reaction pathway, and putative DON–glutathione (DON–GSH) conjugates have been reported in planta. To understand and control the ...
Morphology-induced shape selectivity in zeolite catalysis 
Teketel, Shewangizaw; Lundegaard, Lars Fahl; Skistad, Wegard; Chavan, Sachin Maruti; Olsbye, Unni; Lillerud, Karl Petter; Beato, Pablo; Svelle, Stian (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2015)
Zeolites are crystalline aluminosilicates that are widely used as shape-selective catalysts in the refinery and petrochemical industries. By synthesizing a series of structurally related zeolite catalyst and applying them ...
Anthropogenically Enhanced Chemical Weathering and Carbon Evasion in the Yangtze Basin 
Guo, Jingheng; Wang, Fushun; Vogt, Rolf David; Zhang, Yuhang; Liu, Cong-Qaing (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Chemical weathering is a fundamental geochemical process regulating the atmosphere-land-ocean fluxes and earth’s climate. It is under natural conditions driven primarily by weak carbonic acid that originates from atmosphere ...
Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements 
Bugeanu, Monica; Di Remigio, Roberto; Mozgawa, Krzysztof; Reine, Simen Sommerfelt; Harbrecht, Helmut; Frediani, Luca (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
The simplicity of dielectric continuum models has made them a standard tool in almost any Quantum Chemistry (QC) package. Despite being intuitive from a physical point of view, the actual electrostatic problem at the cavity ...
Rietveld Analysis of Computed Tomography and its Application to Methanol to Olefin Reactor Beds 
Wragg, David; Bleken, Francesca Lønstad; O'Brien, Matthew G.; Di Michiel, Marco (Journal article / Tidsskriftartikkel / SubmittedVersion, 2015)
This article reports the creation of tomographic reconstructions giving three-dimensional data on the distribution of various structural features for SAPO-34 zeolite catalyst beds used in the commercially important methanol ...
Spectroscopy of low-lying states in 140Sm 
Klintefjord, Malin; Hadyńska-Klęk, Katarzyna; Samorajczyk, J.; Görgen, Andreas; Droste, C.; Srebrny, J.; Abraham, T.; Bello Garrote, Frank Leonel; Giacoppo, F.; Grodner, E.; Hoff, Per; Kisieliński, M.; Komorowska, M.; Korten, W.; Kowalczyk, M.; Kownacki, J.; Larsen, Ann-Cecilie; Marchlewski, T.; Napiorkowski, P.; Renstrøm, Therese; Siebeck, B.; Siem, Sunniva; Szenborn, R.; Tucholski, A.; Thöle, P.; Tornyi, Tamas Gabor; Tveten, Gry Merete; Zielińska, M. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Electromagnetic transition strengths and spectroscopic quadrupole moments for 140Sm were measured by means of multi-step Coulomb excitation with radioactive beam at the ISOLDE facility at CERN. A complementary experiment ...
Crystal structure of seleno-L-cystine dihydrochloride 
Gorbitz, Carl Henrik; Levchenko, Vladimir; Semjonovs, Jevgenijs; Sharif, Mohamed Yusuf (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Interpreting a CMS excess in lljj+ missing -transverse-momentum with the golden cascade of the minimal supersymmetric standard model 
Allanach, Ben; Kvellestad, Anders; Raklev, Are (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Hyper-expanded interlayer separations in superconducting barium intercalates of FeSe 
Yusenko, Kirill; Sottmann, Jonas; Emerich, Hermann; Crichton, WA; Malavasi, Lorenzo; Margadonna, Serena (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Intercalation of Ba in β-FeSe by ammonothermal synthesis results in the formation of different superconducting phases with interlayer distance ranging between 8.4 and 13.1 Å. The values of Tc are primarily dependent on Ba ...
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