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Remediation of PCB-polluted soil using biochar: the uptake of PCBs in earthworms, plants and passive samplers 
Hjartardottir, Sigurbjørg (Master thesis / Masteroppgave, 2017)
Using Observations and Source-Specific Model Tracers to Characterize Pollutant Transport During FRAPPE and DISCOVER-AQ 
Pfister, GG; Reddy, PJ; Barth, MC; Flocke, FF; Fried, A; Herndon, SC; Sive, Barkley C.; Sullivan, JT; Thompson, A.M; Yacovitch, TI; Weinheimer, A.J.; Wisthaler, Armin (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Transport is a key parameter in air quality research and plays a dominant role in the Colorado Northern Front Range Metropolitan Area (NFRMA), where terrain-induced flows and recirculation patterns can lead to vigorous ...
On the Conductivity of KBaPO4 and Its Decomposition in Steam and Water 
Elstad, Aleksander A; Nguyen, Kevin; Sartori, Sabrina; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
KBaPO4 – recently reported to hydrate in steam at 80°C into a novel low-temperature protonic conductor – was synthesized by a solid state reaction and its electrical properties characterized by impedance spectroscopy. At ...
Biogenic isoprene emissions driven by regional weather predictions using different initialization methods: Case studies during the SEAC4RS and DiSCOVER-AQ airborne campaigns 
Huang, Min; Carmichael, Gregory R.; Crawford, James H.; Wisthaler, Armin; Zhan, Xiwu; Hain, Christopher R; Lee, Pius; Guenther, Alex B (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Land and atmospheric initial conditions of the Weather Research and Forecasting (WRF) model are often interpolated from a different model output. We perform case studies during NASA's SEAC4RS and DISCOVER-AQ Houston airborne ...
Airborne measurements of western U.S. wildfire emissions: Comparison with prescribed burning and air quality implications 
Liu, Xiaoxi; Huey, L. Gregory; Yokelson, Robert J.; Selimovic, Vanessa; Simpson, Isobel J.; Müller, Markus; Jimenez, José L.; Campuzano-Jost, Pedro; Beyersdorf, Andreas J.; Blake, Donald R.; Butterfield, Zachary; Choi, Yonghoon; Crounse, John D.; Day, Douglas A.; Diskin, Glenn S.; Dubey, Manvendra K.; Fortner, Edward; Hanisco, Thomas F.; Hu, Weiwei; King, Laura E.; Kleinman, Lawrence; Meinardi, Simone; Mikoviny, Tomas; Onasch, Timothy B.; Palm, Brett B.; Peischl, Jeff; Pollack, Ilana B.; Ryerson, Thomas B.; Sachse, Glen W.; Sedlacek, Arthur J.; Shilling, John D.; Springston, Stephen; St Clair, Jason M.; Tanner, David J.; Teng, Alexander P.; Wennberg, Paul O.; Wisthaler, Armin; Wolfe, Glenn M. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Wildfires emit significant amounts of pollutants that degrade air quality. Plumes from three wildfires in the western U.S. were measured from aircraft during the Studies of Emissions and Atmospheric Composition, Clouds and ...
Higher measured than modeled ozone production at increased NOx levels in the Colorado Front Range 
Baier, Bianca C; Brune, William H; Miller, David O; Blake, Donald; Long, Russell; Wisthaler, Armin; Cantrell, Christopher; Fried, Alan; Heikes, Brian; Brown, Steven; McDuffie, Erin; Flocke, Frank; Apel, Eric; Kaser, Lisa; Weinheimer, Andrew (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Chemical models must correctly calculate the ozone formation rate, P(O3), to accurately predict ozone levels and to test mitigation strategies. However, air quality models can have large uncertainties in P(O3) calculations, ...
Effect of PEGylation on Physical and Biological Behavior of Temperature-Responsive Nanogels 
Forooqi Motlaq, Vahid (Master thesis / Masteroppgave, 2017)
Inner projection techniques for the low-cost handling of two-electron integrals in quantum chemistry 
Aquilante, Francesco; Delcey, Mickaël G.; Pedersen, Thomas Bondo; Fdez Galvan, Ignacio; Lindh, Roland (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The density-fitting technique for approximating electron-repulsion integrals relies on the quality of auxiliary basis sets. These are commonly obtained through data fitting, an approach that presents some shortcomings. On ...
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 ...
High performance analytical tools for small molecules in biosamples 
Johnsen, Elin Follaug (Doctoral thesis / Doktoravhandling, 2017)
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
Improvement of the methanol-to-hydrocarbons catalytic performance for one-dimensional zeolites obtained by post-synthetic modifications 
Huertas, Pablo del Campo (Doctoral thesis / Doktoravhandling, 2017)
The relatively short lifetime of unidimensional 10-ring zeolite catalysts in the methanol to hydrocarbons reaction is improved by a factor of ~20 by introducing mesoporosity in the zeolites via sequential desilication and ...
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. ...
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 ...
Laboratory diagnostics: Maximizing sensitivity of a Q-Exactive Orbitrap mass spectrometer for untargeted metabolomics of dried blood spots 
Skogvold, Hanne Bendiksen (Master thesis / Masteroppgave, 2017)
Biological samples consist of an unknown, but large, number of regulated metabolites. It is of great interest scientifically and clinically to determine the composition and dynamics of this “metabolome”. Metabolomics is ...
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 ...
Evaluation of exosome isolation techniques for hydrophilic interaction liquid chromatography-mass spectrometry based metabolomics 
Bjørseth, Kamilla (Master thesis / Masteroppgave, 2017)
Defects and Transport in SrFe1-xMoxO3-δ 
Emhjellen, Linn Katinka Susanne Shi (Master thesis / Masteroppgave, 2017)
Critical evaluation of isolation and characterization techniques of breast cancer exosomes 
Skottvoll, Frøydis Sved (Master thesis / Masteroppgave, 2017)
Exosomes represent a distinct class of extracellular vesicles of endocytic origin secreted by multiple cell types, including tumour cells. An increased release of exosomes, which appears to be a rich source of biomarkers, ...
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 ...
Radiofluorination of amines via hypervalent iodonium (III) ylides, reduction and activating group approach 
Grønnevik, Gaute (Master thesis / Masteroppgave, 2017)
Piezo- and Ferroelectric A+B5+O3 Thin Films 
Sønsteby, Henrik Hovde (Doctoral thesis / Doktoravhandling, 2017)
This thesis summarizes atomic layer deposition (ALD) of thin films of a set of alkali metal niobates and tantalates with technologically important physical properties. ALD of LiNbO3 is presented first, where we showcase ...
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 ...
Preparation of Thiol Conjugates of the Mycotoxin Deoxynivalenol and their Occurrence in Nature 
Stanic, Ana (Doctoral thesis / Doktoravhandling, 2017)
Cereal crops (such as oats, wheat, barley, rye, corn etc.) are often contaminated with toxigenic fungi during field or storage conditions, which can consequently lead to food and feed contamination with mycotoxins and to ...
Determination of REEs, Th, and U in Seawater after Off-Line SPE by ICP-MS 
Varonina, Sviatlana (Master thesis / Masteroppgave, 2017)
Investigations of the Long Term Catalytic Activity and Stability of Zeolite-based Catalysts in the Conversion of Methanol-to-Hydrocarbons. 
Rojo Gama, Daniel (Doctoral thesis / Doktoravhandling, 2017)
Biosynthesis of gold and palladium nanoparticles via bacteria 
Torgeman, Eric (Master thesis / Masteroppgave, 2017)
The Role of Natural Organic Matter and Phosphorus in a Changing Environment 
Mohr, Christian Wilhelm (Doctoral thesis / Doktoravhandling, 2017)
Eutrophication is globally a growing concern, as freshwater bodies are becoming more and more exposed to nutrient pollution. Excessive P loading is often the main cause of eutrophication, as P is often the limiting nutrient ...
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 ...
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 ...
Determination of partitioning coefficients and protein binding using high performance liquid chromatography: Towards in vitro pharmacology in radiotracer development 
Spilhaug, Mona Milde (Master thesis / Masteroppgave, 2017)
We present RP-HPLC methods for the determination of the distribution coefficient at pH 7.4, as log D, and plasma protein binding. Although there are several methods available to determine distribution coefficient (log D) ...
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 ...
Synthesis and characterization of Pt1-xPdx nanoparticles and their suitability for NH3 oxidation catalysis 
Jensen, Martin (Master thesis / Masteroppgave, 2017)
In this master project, bimetallic nanoparticles with nominal composition Pt1-xPdx NPs (0 ≤ x ≤ 1) have been synthesized via a polyol method. PVP was used as the stabilizer/capping agent, Pt(acac)2 and Pd(acac)2 as metal ...
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 ...
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 ...
Development of Cu-based electrodes for proton-conducting membrane reactors 
Robinson, Shay Alexander (Doctoral thesis / Doktoravhandling, 2017)
This dissertation is submitted in partial fulfilment of the requirements for the degree of Philosophiae Doctor (PhD) at Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Oslo, Norway. The ...
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. ...
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 ...
Biodegradability and Spectroscopic Properties of Dissolved Natural Organic Matter Fractions Linked to Hg and MeHg Transport and Uptake. 
Martinez, Elena Frances (Master thesis / Masteroppgave, 2017)
Design and Growth of Luminescent Thin Films by Atomic Layer Deposition 
Getz, Michael (Doctoral thesis / Doktoravhandling, 2017)
Luminescent materials have become an integral part of our society, being for instance used to light up our buildings and electronic displays. The process of absorbing ultra-violet light and converting it to visible or near ...
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 ...
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 ...
Characteristics and Bioavailability of Dissolved Natural Organic Matter in a Boreal Stream during Storm Flow 
Håland, Alexander (Master thesis / Masteroppgave, 2017)
Mechanistic and kinetic investigations on the role of methanol and dimethyl ether in the Methanol-To-Hydrocarbons reaction 
Espín, Juan Salvador Martínez (Doctoral thesis / Doktoravhandling, 2017)
This PhD thesis deeply analyzes the mechanistic and kinetic behavior of methanol and dimethyl ether (DME) in the industrially relevant Methanol-To-Hydrocarbons (MTH) reaction, which employs zeolitic materials as catalysts. ...
Theoretical and experimental studies of intermediates in the atmospheric degradation of imines: Degradation of methyl methanimine and N-methyl ethanimine by OH radicals 
Reijrink, Nina Gwendolyn (Master thesis / Masteroppgave, 2017)
Amine-based CO2 capture has been suggested as a way to mitigate global warming. This project aims to improve the understanding of the atmospheric photo-oxidation of two of the simplest imines by OH radicals. Laboratory ...
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 ...
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 ...
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 ...
High-throughput EDA – automated approaches to directly link fractionation, biotesting and identification 
Froment, Jean (Doctoral thesis / Doktoravhandling, 2017)
Around three decades ago, environmental chemists developed a new technique to identify pollutants present in complex environmental mixtures: effect-directed analysis (EDA). EDA uses chemical tools (for the extraction, ...
Structure Elucidation of Three Microcystins by NMR Spectroscopy 
Jaabæk, Jon Atle Hoff (Master thesis / Masteroppgave, 2017)
Automatic capillary liquid chromatography tandem mass spectrometry method for pharmaceutical products in environmental water samples 
Demir, Deniz (Master thesis / Masteroppgave, 2017)
Abstract The use of active pharmaceutical ingredients (APIs) is increasing continuously and thereby constitutes a potential source of surface water contamination. Environmental concentrations of APIs are usually at trace ...
Students and teachers use of instructional videos: Suggestions for further development of instructional videos to promote active learning 
Hofstad, Øyvind (Master thesis / Masteroppgave, 2017)
The use of technology in education (so-called e-learning) has seen a rapid development over the last decades. From being small systems that might assist lectures it has developed into systems that could potentially replace ...
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 ...
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 ...
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 ...
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 ...
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) ...
Reactions between simple models of biomolecular compounds and small water clusters of the superoxide anion 
Otterstad, Marius Friberg (Master thesis / Masteroppgave, 2017)
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 ...
Preparations for Next Generation Liquid-phase Studies of Super-heavy Elements; Combining the New Flow Solvent Extractor with the SISAK Alpha-Detection System 
Wulff, Solveig Birgitte Aker (Master thesis / Masteroppgave, 2017)
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, ...
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 ...
Investigation of Leaching of Rare Earth Elements from Phosphate Rock with Nitric Acid using Neutron Activation Restricted Access
Ræstad, Svein Harald (Master thesis / Masteroppgave, 2017)
Synthesis Directed towards Potential hOGG1 Inhibitors 
Endsjø, Janine Moløkken Munthe (Master thesis / Masteroppgave, 2017)
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
Sikkerhetsaspekter i litiumionbatterier 
Lian, Torleif (Master thesis / Masteroppgave, 2017)
Forsvarlig bruk av litiumionbatterier krever innsikt og kunnskap om batterienes spesielle egenskaper. Tradisjonelt har man antatt at rask varmeutvikling korresponderer med verste fysiske reaksjon (ventilering, brann, ...
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 ...
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). ...
Protonic Conduction in Porous Oxides 
Stub, Sindre Østby (Doctoral thesis / Doktoravhandling, 2017)
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 ...
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)
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 ...
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) ...
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 ...
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 ...
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 ...
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 ...
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