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Absorption of CO2 in lyotropic liquid crystals 
Rodriguez Fabia, Sandra; Øyen, Marita; Winter-Hjelm, Nicolai; Norrman, Jens; Lund, Reidar; Sørland, Geir; Knuutila, Hanna; Sjøblom, Johan; Paso, Kristofer Gunnar (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Vapor–liquid equilibria data of three poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide)/water liquid crystals (LCs) with CO2 has been obtained up to 6 bar. The investigated LCs consist of 60% (EO)3(PO)50(EO)3 ...
Hamiltonian and alias-free hybrid particle-field molecular dynamics 
Bore, Sigbjørn Løland; Cascella, Michele (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Hybrid particle–field molecular dynamics combines standard molecular potentials with density-field models into a computationally efficient methodology that is well-adapted for the study of mesoscale soft matter systems. ...
Evaluation by metabolic profiling and in vitro autoradiography of two promising GnRH‐receptor ligands for brain SPECT imaging 
Fjellaksel, Richard; Moldes-Anaya, Angel; Vasskog, Terje; Oteiza, Ana; Martin-Armas, Maria Montserrat; Hjelstuen, Ole Kristian; Hansen, Jørn H; Riss, Patrick; Sundset, Rune (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The increased expression of gonadotropin releasing hormone receptor (GnRH‐R) in brain has been strongly linked to Alzheimer disease. Therefore, the development of radiolabeled imaging agents for GnRH‐R is relevant for early ...
Bioactive Metabolites of Marine Origin Have Unusual Effects on Model Membrane Systems 
Jakubec, Martin; Totland, Christian; Rise, Frode; Chamgordani, Elahe Jafari; Paulsen, Britt; Maes, Louis; Matheeussen, An; Gundersen, Lise-Lotte; Halskau, Øyvind (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Marine sponges and soft corals have yielded novel compounds with antineoplastic and antimicrobial activities. Their mechanisms of action are poorly understood, and in most cases, little relevant experimental evidence is ...
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems 
Olsen, Jógvan Magnus Haugaard; Reine, Simen Sommerfelt; Vahtras, Olav; Kjellgren, Erik; Reinholdt, Peter; Dundas, Karen O.H; Li, Xin; Cukras, Janusz; Ringholm, Magnus; Hedegård, Erik Donovan; Di Remigio, Roberto; List, Nanna H.; Faber, Rasmus; Tenorio, Bruno Nunes Cabral; Bast, Radovan; Pedersen, Thomas Bondo; Rinkevicius, Zilvinas; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Kongsted, Jacob; Coriani, Sonia; Ruud, Kenneth; Helgaker, Trygve; Jensen, Hans Jørgen Aa.; Norman, Patrick (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The Dalton Project provides a uniform platform access to the underlying full-fledged quantum chemistry codes Dalton and LSDalton as well as the PyFraME package for automatized fragmentation and parameterization of complex ...
The presence, emission and partitioning behavior of polychlorinated biphenyls in waste, leachate and aerosols from Norwegian waste-handling facilities 
Arp, Hans Peter; Morin, Nicolas; Andersson, Patrik L.; Hale, Sarah; Wania, Frank; Breivik, Knut; Breedveld, Gijs D. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Even though production and open use of polychlorinated biphenyls (PCBs) have been phased out in Western industrialised countries since the 1980s, PCBs were still present in waste collected from different waste handling ...
A highly asymmetric gold(III) η3‐allyl complex 
Holmsen, Marte Sofie; Nova, Ainara; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
A highly asymmetric AuIII η3‐allyl complex has been generated by treating Au(η1‐allyl)Br(tpy) (tpy=2‐(p‐tolyl)pyridine) with AgNTf2. The resulting η3‐allyl complex has been characterized by NMR spectroscopy and X‐ray ...
Synthesis, radiosynthesis, and positron emission tomography neuroimaging using 5-[18 F]fluoro-L-amino suberate 
Alluri, Santosh Reddy; Pitman, Kathinka; Malinen, Eirik; Riss, Patrick (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
System xc‐ (Sxc‐) has emerged as a new biological target for PET studies to detect oxidative and excitotoxic stress. Notably, applications have, thus far, been limited to tumour imaging although Sxc‐) may play a major role ...
Rational selection of co-catalysts for the deaminative hydrogenation of amides 
Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martin; Nova, Ainara (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The catalytic hydrogenation of amides is an atom economical method to synthesize amines. Previously, it was serendipitously discovered that the combination of a secondary amide co-catalyst with (iPrPNP)Fe(H)(CO) (iPrPNP = ...
Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions 
Franco-Ulloa, Sebastian; Tatulli, Giuseppina; Bore, Sigbjørn Løland; Moglianetti, Mauro; Pompa, Pier Paolo; Cascella, Michele; De Vivo, Marco (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Abstract The fundamental interactions underlying citrate-mediated chemical stability of metal nanoparticles, and their surface characteristics dictating particle dispersion/aggregation in aqueous solutions, are ...
Soil pollution at a major West African E-waste recycling site: Contamination pathways and implications for potential mitigation strategies 
Möckel, Claudia; Breivik, Knut; Nøst, Therese Haugdahl; Sankoh, Alhaji; Jones, Kevin C.; Sweetman, Andrew (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Organic contaminants (polycyclic aromatic hydrocarbons (PAHs), polybrominated diphenyl ethers (PBDEs), polychlorinated biphenyls (PCBs), and chlorinated paraffins (CPs)) and heavy metals and metalloids (Ag, Cd, Co, Cr, Cu, ...
Representation of the virtual space in extended systems – a correlation energy convergence study 
Hansen, Audun Skau; Baardsen, Gustav; Rebolini, Elisa; Maschio, Lorenzo; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
We present an investigation of the convergence behaviour of the local second-order Møller-Plesset perturbation theory (MP2) correlation energy toward the canonical result for three insulating crystals with either projected ...
Analysis of total microcystins and nodularins by oxidative cleavage of their ADMAdda, DMAdda, and Adda moieties 
Foss, Amanda J.; Miles, Christopher O.; Wilkins, Alistair Lawrence; Rise, Frode; Trovik, Kristian Wiedicke; Cieslik, Kamil; Aubel, Mark T. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Microcystins (MCs) and nodularins (NODs) exhibit high structural variability, including modifications of the Adda (3S-amino-9S-methoxy-2S,6,8S-trimethyl-10-phenyldeca-4E,6E-dienoic acid) moiety. Variations include ...
Comparing the Nature of Active Sites in Cu-loaded SAPO-34 and SSZ-13 for the Direct Conversion of Methane to Methanol 
Kvande, Karoline; Pappas, Dimitrios; Dyballa, Michael Martin; Buono, Carlo; Signorile, Matteo; Borfecchia, Elisa; Lomachenko, Kirill A.; Arstad, Bjørnar; Bordiga, Silvia; Berlier, Gloria; Olsbye, Unni; Beato, Pablo; Svelle, Stian (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
On our route towards a more sustainable future, the use of stranded and underutilized natural gas to produce chemicals would be a great aid in mitigating climate change, due to the reduced CO2 emissions in comparison to ...
Pseudo-ternary LiBH4-LiCl-P2S5 system as structurally disordered bulk electrolyte for all-solid-state lithium batteries 
El-Kharbachi, Abdelouahab; Wind, Julia; Ruud, Amund; Høgset, Astrid Bygdås; Nygård, Magnus Moe; Zhang, Junxian; Sørby, Magnus Helgerud; Kim, Sangryun; Cuevas, Fermin; Orimo, Shin-Ichi; Fichtner, Maximilian; Latroche, Michel; Fjellvåg, Helmer; Hauback, Bjørn (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The properties of the mixed system LiBH4–LiCl–P2S5 are studied with respect to all-solid-state batteries. The studied material undergoes an amorphization upon heating above 60 °C, accompanied with increased Li+ conductivity ...
Chemical stability of Ca3Co4−xO9+δ/CaMnO3−δ p–n junction for oxide-based thermoelectric generators 
Gunnæs, Anette Eleonora; Tofan, Raluca; Berland, Kristian; Gorantla, Sandeep Madhukar; Storaas, Thomas Aarflot; Desissa, Temesgen Debelo; Schrade, Matthias; Persson, Clas; Einarsrud, Mari-Ann; Wiik, Kjell; Norby, Truls Eivind; Kanas, Nikola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
An all-oxide thermoelectric generator for high-temperature operation depends on a low electrical resistance of the direct p–n junction. Ca3Co4−xO9+δ and CaMnO3−δ exhibit p-type and n-type electronic conductivity, respectively, ...
Identification of green pigments and binders in late medieval painted wings from Norwegian churches 
Platania, Elena; Streeton, Noëlle Lynn Wenger; Lluveras-Tenorio, Anna; Vila, Anna; Buti, David; Caruso, Francesco; Kutzke, Hartmut; Karlsson, Arne; Colombini, Maria Perla; Uggerud, Einar (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Greenpigmentsinmicro-samplestakenfromthreelate-medievalpaintedobjectsfromNorwegianchurcheshavebeen investigated with the aim to characterize their constituents and understand how they relate to damagesobserved in passages ...
Non-target and suspect characterisation of organic contaminants in Arctic air – Part 2: Application of a new tool for identification and prioritisation of chemicals of emerging Arctic concern in air 
Röhler, Laura; Schlabach, Martin; Haglund, Peter; Breivik, Knut; Kallenborn, Roland; Bohlin-Nizzetto, Pernilla (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The Norwegian Arctic possesses a unique environment for the detection of new potential chemicals of emerging Arctic concern (CEACs) due to remoteness, sparse population and the low number of local contamination sources. ...
A foundation for complex oxide electronics -low temperature perovskite epitaxy 
Sønsteby, Henrik H.; Skaar, Erik; Fjellvåg, Øystein; Bratvold, Jon E.; Fjellvåg, Helmer; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
As traditional silicon technology is moving fast towards its fundamental limits, all-oxide electronics is emerging as a challenger offering principally different electronic behavior and switching mechanisms. This technology ...
High power iron phosphate cathodes by atomic layer deposition 
Brennhagen, Anders; Kvamme, Kristian Breivik; Sverdlilje, Katja S. S.; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Amorphous thin films of FePO4 and Fe4(P2O7)3 show excellent power capabilities and good stability as cathode materials in Li-ion batteries. Within our tested range of materials, 10 nm FePO4 shows the best results and can ...
Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses 
Kristiansen, Håkon Emil; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
We investigate the numerical stability of time-dependent coupled-cluster theory for many-electron dynamics in intense laser pulses, comparing two coupled-cluster formulations with full configuration interaction theory. Our ...
Legacy and emerging flame retardants (FRs) in the urban atmosphere of Pakistan: Diurnal variations, gas-particle partitioning and human health exposure 
Syed, Jabir Hussain; Iqbal, Mehreen; Breivik, Knut; Chaudhry, Muhammad Jamshed Iqbal; Shahnawaz, Muhammad; Abbas, Zaigham; Nasir, Jawad; Rizvi, Syed Hussain Haider; Taqi, Malik Mumtaz Hussain; Li, Jun; Zhang, Gan (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Atmospheric concentration of legacy (LFRs) and emerging flame retardants (EFRs) including 8 polybrominated diphenyl ethers (PBDEs), 6 novel brominated flame retardants (NBFRs), 2 dechlorane plus isomers (DP), and 8 chlorinated ...
High-Temperature Structural and Electrical Properties of BaLnCo2O6 Positrodes 
Szpunar, Iga; Strandbakke, Ragnar; Sørby, Magnus Helgerud; Wachowski, Sebastian Lech; Balaguer, Maria; Tarach, Mateusz; Serra, José M.; Witkowska, Agnieszka; Dzik, Ewa; Norby, Truls Eivind; Gazda, Maria; Mielewczyk-Gryń, Aleksandra (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The application of double perovskite cobaltites BaLnCo2O6−δ (Ln = lanthanide element) in electrochemical devices for energy conversion requires control of their properties at operating conditions. This work presents a study ...
Quantification of Fatty Acids and their Regioisomeric Distribution in Triacylglycerols from Porcine and Bovine Sources Using 13C NMR Spectroscopy 
Kildahl-Andersen, Geir; Gjerlaug-Enger, Eli; Rise, Frode; Haug, Anna; Egelandsdal, Bjørg (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The uptake of specific fatty acids in humans is dependent on their position on the glycerol backbone. There is a great interest in methods that can access this information fast and accurately. By way of high‐resolution ...
Zinc schiff base complexes derived from 2,2'-diaminobiphenyls: Solution behavior and reactivity towards nitrogen bases 
Hylland, Knut Tormodssønn; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Zn complexes of Schiff base ligands derived from 2,2'‐diaminobiphenyls and salicylaldehyde derivatives were synthesized and characterized by NMR and single‐crystal X‐ray diffraction analysis. The detailed NMR studies suggest ...
Effect ofl larger pore size on the sorption properties of isoreticular metal–organic frameworks with high number of open metal sites 
Dietzel, Pascal D.C.; Georgiev, Peter A.; Frøseth, Morten; Johnsen, Rune E.; Fjellvåg, Helmer; Blom, Richard (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Four isostructural CPO‐54‐M metal‐organic frameworks based on the larger organic linker 1,5‐dihydroxynaphthalene‐2,6‐dicarboxylic acid and divalent cations (M=Mn, Mg, Ni, Co) are shown to be isoreticular to the CPO‐27 ...
Enhancing giant magnetocaloric effect near room temperature by inducing magnetostructural coupling in Cu-doped MnCoGe 
Pal, Santosh Kumar; Frommen, Christoph; Kumar, Susmit; Hauback, Bjørn; Fjellvåg, Helmer; Helgesen, Geir (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
High performance magnetocaloric materials are crucial to realize the energy efficient and environment friendly magnetic cooling/refrigeration technology. We have designed Mn1-xCuxCoGe compounds possessing a giant magnetocaloric ...
3D cell culture models and organ-on-a-chip: Meet separation science and mass spectrometry 
Lin, Ann; Skottvoll, Frøydis Sved; Rayner, Simon; Pedersen-Bjergaard, Stig; Sullivan, Gareth; Krauss, Stefan; Wilson, Steven Ray Haakon; Harrison, Sean (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
In vitro derived simplified 3D representations of human organs or organ functionalities are predicted to play a major role in disease modeling, drug development, and personalized medicine, as they complement traditional ...
First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics 
Castro, Abril C; Balcells, David; Repisky, Michal; Helgaker, Trygve; Cascella, Michele (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
1H NMR spectroscopy has become an important technique for the characterization of transition-metal hydride complexes, whose metal-bound hydrides are often difficult to locate by X-ray diffraction. In this regard, the ...
Vesicular ATP-binding cassette transporters in human disease: relevant aspects of their organization for future drug development 
Stefan, Katja; Leck, Lionel Yi Wen; Namasivayam, Vigneshwaran; Bascuñana, Pablo; Huang, Michael Li-Hsuan; Riss, Patrick; Pahnke, Jens; Jansson, Patric Jan; Stefan, Sven Marcel (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Thermoelectric properties of A-site deficient La-doped SrTiO3 at 100–900 °C under reducing conditions 
Singh, Sathya Prakash; Kanas, Nikola; Desissa, Temesgen Debelo; Johnsson, Mats; Einarsrud, Mari-Ann; Norby, Truls Eivind; Wiik, Kjell (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Lanthanum doped strontium titanate is a potential n-type thermoelectric material at moderate and high temperatures. (La0.12Sr0.88)0.95TiO3 ceramics were prepared by two different routes, conventional sintering at 1500 °C ...
A state-specific multireference coupled-cluster method based on the bivariational principle 
Bodenstein, Tilmann; Kvaal, Simen (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
A state-specific multireference coupled-cluster (MRCC) method based on Arponen’s bivariational principle is presented, the bivar-MRCC method. The method is based on single-reference theory and therefore has a relatively ...
Crystallinity of silicon nanoparticles: Direct influence on the electrochemical performance of lithium ion battery anodes 
Ulvestad, Asbjørn; Reksten, Anita; Andersen, Hanne Flåten; Almeida Carvalho, Patricia; Jensen, Ingvild Julie Thue; Nagell, Marius Uv; Mæhlen, Jan Petter; Kirkengen, Martin; Koposov, Alexey (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The use of silicon (Si) in the form of nanoparticles is one of the most promising routes for boosting the capacity of modern Li‐ion batteries. Many parameters influence the performance of Si making the comparison of materials ...
How detergents dissolve polymeric micelles: Kinetic pathways of hybrid micelle formation in SDS and block copolymer mixtures 
Myhre, Synne; Amann, Matthias; Willner, Lutz; Knudsen, Kenneth Dahl; Lund, Reidar (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Mixtures of amphiphilic polymers and surfactants are used in a wide range of applications, e.g., pharmaceuticals, detergents, cosmetics, and drug delivery systems. Still, many questions remain on how the structure and, in ...
Tunable viscoelastic features of aqueous mixtures of thermosensitive ethyl(hydroxyethyl)cellulose and cellulose nanowhiskers 
Dashtimoghadam, Erfan; Salimi-Kenari, Hamed; Nasseri, Rasool; Knudsen, Kenneth Dahl; Mirzadeh, Hamid; Nyström, Bo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Ethyl(hydroxyethyl) cellulose (EHEC) is known to form reversible hydrogels in water at elevated temperatures in the presence of an ionic surfactant. However, the toxicity of common ionic surfactants (like SDS and CTAB) ...
Supramolecular Packing Drives Morphological Transitions of Charged Surfactant Micelles 
Schäfer, Ken; Kolli, Hima Bindu; Christensen, Mikkel Killingmoe; Bore, Sigbjørn Løland; Diezemann, Gregor; Gauss, Jürgen; Milano, Giuseppe; Lund, Reidar; Cascella, Michele (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The shape and size of self‐assembled structures upon local organization of their molecular building blocks are hard to predict in the presence of long‐range interactions. Combining small‐angle X‐ray/neutron scattering data, ...
Modern quantum chemistry with [Open]Molcas 
Aquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; de Vico, Luca; Delcey, Michael; Galván, Ignacio Fdez.; Ferré, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per-Åke; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas Bondo; Pedraza-Gonzalez, Laura; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Martí, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of computational methods from Hartree–Fock and density functional theory to various implementations of multiconfigurational theory. This ...
Spherical Micelles with Nonspherical Cores: Effect of Chain Packing on the Micellar Shape 
König, Nico; Willner, Lutz; Carlström, Göran; Zinn, Thomas; Knudsen, Kenneth Dahl; Rise, Frode; Topgaard, Daniel; Lund, Reidar (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Self-assembly of amphiphilic polymers into micelles is an archetypical example of a “self-confined” system due to the formation of micellar cores with dimensions of a few nanometers. In this work, we investigate the chain ...
Interpretation of Coupled-Cluster Many-Electron Dynamics in Terms of Stationary States 
Pedersen, Thomas Bondo; Kristiansen, Håkon Emil; Bodenstein, Tilmann; Kvaal, Simen; Schøyen, Øyvind Sigmundson (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
We demonstrate theoretically and numerically that laser-driven many-electron dynamics, as described by bivariational time-dependent coupled-cluster theory, may be analyzed in terms of stationary-state populations. Projectors ...
Synthesis and Evaluation of K-Promoted Co3-xMgxAl-Oxides as Solid CO2 Sorbents in the Sorption-Enhanced Water−Gas Shift (SEWGS) Reaction 
Arstad, Bjørnar; Blom, Richard; Håkonsen, Silje Fosse; Pierchala, Joanna; Cobden, Paul; Lundvall, Fredrik; Kalantzopoulos, Georgios N.; Wragg, David; Fjellvåg, Helmer; Sjåstad, Anja Olafsen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Hydrogen is essential in a variety of large-scale chemical processes. As a carbon-free energy carrier, hydrogen has a potential for wide use within power production and transportation. However, most of the recent production ...
Neutral Hexacoordinate Tin(IV) Halide Complexes with 4,4'‐Dimethy‐2,2'‐bipyridine 
Gómez-Alcocer, Fátima; Castro, Abril C.; Jimenez-Halla, J. Oscar C.; Saldaña-Piña, Noe; Basavanag, Murali V.; Báez-García, J. Eduardo; Bonilla-Cruz, José; López, Jorge A.; González-García, Gerardo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
A series of three neutral, hexacoordinate tin(IV) complexes were synthesized by the reaction of 4,4'‐dimethyl‐2,2'‐bipyridine (DMB) with SnX4, X = Cl, Br, and I, as starting materials. The complexes (DMB)SnX4 were characterized ...
Morphology engineering of silicon nanoparticles for better performance in Li-ion battery anodes 
Lai, Samson Yuxiu; Mæhlen, Jan Petter; Preston, Thomas; Skare, Marte Orderud; Nagell, Marius Uv; Ulvestad, Asbjørn; Lemordant, Daniel; Koposov, Alexey (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Amorphous silicon nanoparticles were synthesized through pyrolysis of silane gas at temperatures ranging from 575 to 675 °C. According to the used temperature and silane concentration, two distinct types of particles can ...
The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase 
Hammerstad, Marta; Gudim, Ingvild; Hersleth, Hans-Petter (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Low G+C Gram-positive Firmicutes, such as the clinically important pathogens Staphylococcus aureus and Bacillus cereus, use the low-molecular weight thiol bacillithiol (BSH) as a defense mechanism to buffer the intracellular ...
Exotic Compositional Ordering in Manganese–Nickel–Arsenic (Mn-Ni-As) Intermetallics 
Gonano, Bruno Raymond Gino; Fjellvåg, Øystein; Steciuk, Gwladys; Saha, Dipankar; Pelloquin, Denis; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
In this work we benefited from recent advances in tools for crystal‐structure analysis that enabled us to describe an exotic nanoscale phenomenon in structural chemistry. The Mn0.60Ni0.40As sample of the Mn1−xNixAs solid ...
tert-butoxides as precursors for atomic layer deposition of alkali metal containing thin films 
Sønsteby, Henrik Hovde; Bratvold, Jon Einar; Killi, Veronica Anne-Line Kathrine; Choudhury, Devika; Elam, Jeffrey W.; Fjellvåg, Helmer; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Alkali metal containing materials have become increasingly attractive in a world hunting for sustainable energy materials and green functional devices. Lithium- and sodium battery technology, lead-free piezo- and ferroelectric ...
Cholesterol-containing lipid nanodiscs promote an α-synuclein binding mode that accelerates oligomerization 
Jakubec, Martin; Bariås, Espen; Furse, Samuel Robert; Govasli Larsen, Morten Andreas; George, Vinnit; Turcu, Diana Cornelia; Iashchishyn, Igor A.; Morozova-Roche, Ludmilla A.; Halskau, Øyvind (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Dysregulation of the biosynthesis of cholesterol and other lipids has been implicated in many neurological diseases, including Parkinson's disease. Misfolding of α‐synuclein (α‐Syn), the main actor in Parkinson's disease, ...
Discovery of a lead brain-penetrating gonadotropin-releasing hormone receptor antagonist with saturable binding in brain 
Bekker, Roberto Bartholomeus Wilhelmus; Fjellaksel, Richard; Hjornevik, Trine; Nuruddin, Syed; Rafique, Waqas; Hansen, Jørn H; Sundset, Rune; Haraldsen, Ira Hebold; Riss, Patrick (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
We report the synthesis, radiosynthesis and biological characterisation of two gonadotropin‐releasing hormone receptor (GnRH−R) antagonists with nanomolar binding affinity. A small library of GnRH−R antagonists was synthesised ...
A toroidal Zr70 oxysulfate cluster and its diverse packing structures 
Øien-Ødegaard, Sigurd; Bazioti, Kalliopi; Redekop, Evgeniy; Prytz, Øystein; Lillerud, Karl Petter; Olsbye, Unni (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Herein, we report the discovery of a toroidal inorganic cluster of zirconium(IV) oxysulfate of unprecedented size with the formula Zr70(SO4)58(O/OH)146⋅x(H2O) (Zr70), which displays different packing of ring units and thus ...
Symmetry of three-center, four-electron bonds 
Holta, Ann Christin Reiersølmoen; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar; Fiksdahl, Anne; Lindh, Roland; Erdélyi, Máté (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Three-center, four-electron bonds provide unusually strong interactions; however, their nature remains ununderstood. Investigations of the strength, symmetry and the covalent versus electrostatic character of three-center ...
Consistency and reproducibility in atomic layer deposition 
Sønsteby, Henrik Hovde; Yanguas-Gil, Angel; Elam, Jeffrey W. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Atomic layer deposition (ALD) is a thin film synthesis technique that can provide exquisite accuracy and precision in film thickness and composition even on complex, large area substrates. Based on self-limiting surface ...
Atomic Layer Deposition of GdCoO3 and Gd0.9Ca0.1CoO3 
Duparc, Marion Jeanne Louise; Sønsteby, Henrik Hovde; Nilsen, Ola; Sjåstad, Anja Olafsen; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Thin films of the catalytically interesting ternary and quaternary perovskites GdCoO3 and Gd0.9Ca0.1CoO3 are fabricated by atomic layer deposition using metal β-diketonates and ozone as precursors. The resulting thin films ...
Influence of Defects and H2O on the Hydrogenation of CO2 to Methanol over Pt Nanoparticles in UiO-67 Metal-Organic Framework 
Gutterød, Emil Sebastian; Pulumati, S.H.; Kaur, Gurpreet; Lazzarini, Andrea; Solemsli, B. G.; Gunnæs, Anette Eleonora; Ahoba-Sam, Christian; Kalyva, Maria Evangelou; Sannes, Johnny Andreas; Svelle, Stian; Skúlason, Egill; Nova, Ainara; Olsbye, Unni (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
In catalysts for CO2 hydrogenation, the interface between metal nanoparticles (NPs) and the support material is of high importance for the activity and reaction selectivity. In Pt NP-containing UiO Zr-metal–organic frameworks ...
On the conversion of CO2 to value added products over composite PdZn and H-ZSM-5 catalysts: excess Zn over Pd, a compromise or a penalty? 
Ahoba-Sam, Christian; Borfecchia, Elisa; Lazzarini, Andrea; Bugaev, Aram L.; Isah, Abdulrahman Adamu; Taoufik, Mostafa; Bordiga, Silvia; Olsbye, Unni (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
A challenge in converting CO2 into hydrocarbons (HC) via methanol (MeOH) is the gap between the optimal temperature for each step (i.e. ≤250 °C for MeOH and ≥350 °C for HC). The focus of this study is to elucidate the cause ...
Synthesis of ZSM-23 (MTT) zeolites with differentcrystal morphology and intergrowths: effects onthe catalytic performance in the conversion ofmethanol to hydrocarbons 
Molino, Andrea; Holzinger, J.; Lukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Gunnæs, Anette Eleonora; Skibsted, J.; Lundegaard, Lars Fahl; Svelle, Stian; Beato, Pablo; Bordiga, Silvia; Lillerud, Karl Petter (Journal article / Tidsskriftartikkel / SubmittedVersion, 2019)
A series of zeolite ZSM-23 samples prepared with different organic structure-directing agents, gave rise to crystalline phases, which show a large variety of particle dimensions. A detailed analysis of the structure of ...
Highly selective hydrogenation of amides catalysed by a molybdenum pincer complex: scope and mechanism 
Leischner, Thomas; Artus Suarez, Lluis; Spannenberg, Anke; Junge, Kathrin; Nova, Ainara; Beller, Matthias (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
A series of molybdenum pincer complexes has been shown for the first time to be active in the catalytic hydrogenation of amides. Among the tested catalysts, Mo-1a proved to be particularly well suited for the selective C–N ...
Synthesis and antimicrobial activities of N6-hydroxyagelasine analogs and revision of the structure of ageloximes 
Paulsen, Britt; Fredriksen, Kim Alex; Petersen, Dirk; Maes, Louis; Matheeussen, An; Naemi, Ali-Oddin; Scheie, Anne Aamdal; Simm, Roger; Ma, Rui; Wan, Baojie; Franzblau, Scott; Gundersen, Lise-Lotte (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
(+)-N6-Hydroxyagelasine D, the enantiomer of the proposed structure of (–)-ageloxime D, as well as N6-hydroxyagelasine analogs were synthesized by selective N-7 alkylation of N6-[tert-butyl(dimethyl)silyloxy]-9-methyl-9H ...
Spontaneous Formation and Rearrangement of Artificial Lipid Nanotube Networks as a Bottom-Up Model for Endoplasmic Reticulum 
Köksal, Elif; Belletati, Patrícia Fernandes; Reint, Ganna; Olsson, Ragni; Leitl, Kira; Kantarci, Ilayda; Gözen, Irep (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We present a convenient method to form a bottom-up structural organelle model for the endoplasmic reticulum (ER). The model consists of highly dense lipidic nanotubes that are, in terms of morphology and dynamics, reminiscent ...
Distinguishing Between Cyclopropylfentanyl and Crotonylfentanyl by Methods Commonly Available in the Forensic Laboratory 
Bergh, Marianne Skov-Skov; Bogen, Inger Lise; Wohlfarth, Ariane; Wilson, Steven Ray Haakon; Øiestad, Åse Marit Leere (Journal article / Tidsskriftartikkel / SubmittedVersion, 2019)
Background: The opioid analgesic fentanyl and its analogues pose a major health concern due to its high potency and the increasing number of overdose deaths worldwide. The analogues of fentanyl may differ in potency, ...
Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site 
Heim, Joel Benjamin; Hodnik, Vesna; Heggelund, Julie Elisabeth; Anderluh, Gregor; Krengel, Ute (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Cholera is a life-threatening diarrhoeal disease caused by the human pathogen Vibrio cholerae. Infection occurs after ingestion of the bacteria, which colonize the human small intestine and secrete their major virulence ...
Exploring the overlapping binding sites of ifenprodil and EVT‐101 in GluN2B‐containing NMDA receptors using novel chicken embryo forebrain cultures and molecular modeling 
Fjelldal, Marthe Fredheim; Freyd, Thibaud; Evenseth, Linn; Sylte, Ingebrigt; Ring, Avi; Paulsen, Ragnhild Elisabeth (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
N‐methyl‐d‐aspartate receptors (NMDAR) are widely expressed in the brain. GluN2B subunit‐containing NMDARs has recently attracted significant attention as potential pharmacological targets, with emphasis on the functional ...
Styrene maleic acid copolymer induces pores in biomembranes 
Rydmark, Marcella Orwick; Christensen, Mikkel Killingmoe; Köksal, Elif; Kantarci, Ilayda; Yantchev, Ventsislav; Jesorka, Aldo; Gözen, Irep (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We investigated the interactions between styrene–maleic acid (SMA) copolymers and phospholipid bilayers, using confocal microscopy and surface acoustic wave resonance (SAR) sensing. For the first time we experimentally ...
Control of potassium tantalate niobate thin film crystal phase and orientation by atomic layer deposition 
Bickford, Justin R; Sønsteby, Henrik Hovde; Strnad, Nicholas A; Zavalij, Peter Y; Hoffman, Robert C (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Due to its appreciable electro-optical properties, potassium tantalate niobate (KTN) thin films of high quality are expected to enhance the functionality of integrated photonics optical modulators. Unfortunately, they are ...
On the sources and sinks of atmospheric VOCs: an integratedanalysis of recent aircraft campaigns over North America 
Chen, Xin; Millet, Dylan B.; Singh, Hanwant B.; Wisthaler, Armin; Apel, Eric C.; Atlas, Elliot L.; Blake, Donald R.; Bourgeois, Ilann; Brown, Steven S.; Crounse, John D.; de Gouw, Joost A.; Flocke, Frank M.; Fried, Alan; Heikes, Brian G.; Hornbrook, Rebecca S.; Mikoviny, Tomas; Min, Kyung-Eun; Müller, Markus; Neuman, J. Andrew; O’Sullivan, Daniel W.; Peischl, Jeff; Pfister, Gabriele G.; Richter, Dirk; Roberts, James M.; Ryerson, Thomas B.; Shertz, Stephen R.; Thompson, Chelsea R.; Treadaway, Victoria; Veres, Patrick R.; Walega, James; Warneke, Carsten; Washenfelder, Rebecca A.; Weibring, Petter K.A.; Yuan, Bin (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We apply a high-resolution chemical transport model (GEOS-Chem CTM) with updated treatment of volatile organic compounds (VOCs) and a comprehensive suite of airborne datasets over North America to (i) characterize the VOC ...
Collective action of water molecules in zeolite dealumination 
Nielsen, Malte; Hafreager, Anders; Brogaard, Rasmus Yding; De Wispelaere, Kristof; Falsig, Hanne; Beato, Pablo; Van Speybroeck, Veronique; Svelle, Stian (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
When exposed to steam, zeolite catalysts are irreversibly deactivated by loss of acidity and framework degradation caused by dealumination. Steaming typically occurs at elevated temperatures, making it challenging to ...
Electric and magnetic properties of Lanthanum Barium Cobaltite 
Szpunar, Iga; Wachowski, Sebastian; Miruszewski, Tadeusz; Dzierzgowski, Kacper; Górnicka, Karolina; Klimczuk, Tomasz; Sørby, Magnus Helgerud; Balaguer, María; Serra, José M.; Strandbakke, Ragnar; Gazda, Maria; Mielewczyk-Gryń, Aleksandra (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The cubic Ba0.5La0.5CoO3‐δ was synthesized using solid state reaction. The structural properties were determined by the simultaneous refinement of Synchrotron Powder X‐ray Diffraction and Neutron Powder Diffraction data. ...
Formation and functioning of bimetallic nanocatalysts: The power of X-ray probes 
Filez, Matthias; Redekop, Evgeniy; Dendooven, Jolien; Ramachandran, Ranjith K.; Solano, Eduardo; Olsbye, Unni; Weckhuysen, Bert M.; Galvita, Vladimir V.; Poelman, Hilde; Detavernier, Christophe; Marin, Guy B. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Bimetallic nanocatalysts are key enablers of current chemical technologies, including car exhaust converters and fuel cells, and play a crucial role in industry to promote a wide range of chemical reactions. However, owing ...
Application of machine learning-based selective sampling to determine BaZrO3 grain boundary structures 
Bondevik, Tarjei; Kuwabara, Akihide; Løvvik, Ole Martin (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
A selective sampling procedure is applied to reduce the number of density functional theory calculations needed to find energetically favorable grain boundary structures. The procedure is based on a machine learning algorithm ...
Impaired LXRα Phosphorylation Attenuates Progression of Fatty Liver Disease 
Becares, Natalia; Cage, Matthew C; Voisin, Maud; Shrestha, Elina; Martin-Gutierrez, Lucia; Liang, Ning; Louie, Rikah; Pourcet, Benoit; Pello, Oscar M; Luong, Tu Vinh; Goni, Saioa; Pichardo-Almarza, Cesar; Røberg-Larsen, Hanne; Diaz-Zucccarini, Vanessa; Steffensen, Knut R.; O'Brien, Alastair; Garabedian, Michale J.; Rombouts, Krista; Treuter, Eckardt; Pineda-Torra, Ines (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Non-alcoholic fatty liver disease (NAFLD) is a very common indication for liver transplantation. How fat-rich diets promote progression from fatty liver to more damaging inflammatory and fibrotic stages is poorly understood. ...
Cyclopropanation–ring expansion of 3-chloroindoles with α-halodiazoacetates: novel synthesis of 4-quinolone-3-carboxylic acid and norfloxacin 
Peeters, Sara; Berntsen, Linn Neerbye; Rongved, Pål; Bonge-Hansen, Tore (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We present a short and efficient way of synthesizing two synthetically versatile 4-quinolone-3-carboxylate building blocks by cyclopropanation-ring expansion of 3-chloroindoles with α-halodiazoacetates as the key step. ...
Evolution of Pt and Pd species in functionalized UiO-67 metal-organic frameworks 
Bugaev, Aram L.; Skorynina, Alina A.; Braglia, Luca; Lomachenko, Kirill A.; Guda, Alexander; Lazzarini, Andrea; Bordiga, Silvia; Olsbye, Unni; Lillerud, Karl Petter; Soldatov, Alexander V.; Lamberti, Carlo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Functionalization of metal-organic frameworks (MOFs) with noble metals is a promising way for producing new versatile catalysts that will combine the outstanding porosity and specific surface area of MOFs with high catalytic ...
Controlling the Synthesis of Metal−Organic Framework UiO-67 by Tuning Its Kinetic Driving Force 
Kaur, Gurpreet; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Chavan, Sachin Maruti; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The successful synthesis of metal−organic framework (MOF) compounds relies on an intricate interplay between the components of the synthesis liquor at the given synthesis conditions. Herein, we explore the interdependence ...
Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions 
Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions with a Moreau-Yosida regularized universal Lieb functional and an adaptive damping step is shown to converge to the correct ...
Ta3N5/Co(OH)x composites as photocatalysts for photoelectrochemical water splitting 
Xu, Kaiqi; Chatzitakis, Athanasios Eleftherios; Jensen, Ingvild Julie Thue; Grandcolas, Mathieu; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / SubmittedVersion, 2019)
Ta3N5 nanotubes (NTs) were obtained from nitridation of Ta2O5 NTs, which were grown directly on Ta foil through a 2-step anodization procedure. With Co(OH)x decoration, a photocurrent density as high as 2.3 mA cm−2 (1.23 ...
Chemical Uniformity in Ferroelectric KxNa1−xNbO3 Thin Films 
Sønsteby, Henrik Hovde; Nilsen, Ola; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Potassium sodium niobate (KNN) has long been considered a viable candidate for replacing lead‐based materials in piezo‐ and ferroelectric devices. The introduction of KNN on an industrial scale is highly awaited; however, ...
Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry 
Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
n quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schrödinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze ...
Characterization and evaluation of synthetic Dawsonites as CO2 sorbents 
Lundvall, Fredrik; Kalantzopoulos, Georgios N.; Wragg, David; Arstad, Bjørnar; Blom, Richard; Sjåstad, Anja Olafsen; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The sorbent enhanced water-gas shift (SEWGS) process has great potential for CO2 capture and is thereby a realistic alternative to conventional post-combustion capture by gas emission scrubbing. Nevertheless, better ...
Single-site metal-organic framework catalysts for the oxidative coupling of arenes: Via C-H/C-H activation 
Van Velthoven, Niels; Waitschat, Steve; Chavan, Sachin Maruti; Liu, Pei; Smolders, Simon; Vercammen, Jannick; Bueken, Bart; Bals, Sara; Lillerud, Karl Petter; Stock, Norbert; De Vos, Dirk E. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
C–H activation reactions are generally associated with relatively low turnover numbers (TONs) and high catalyst concentrations due to a combination of low catalyst stability and activity, highlighting the need for recyclable ...
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory 
Pedersen, Thomas Bondo; Kvaal, Simen (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The formulation of the time-dependent Schrödinger equation in terms of coupled-cluster theory is outlined, with emphasis on the bivariational framework and its classical Hamiltonian structure. An indefinite inner product ...
Zircon and quartz inclusions in garnet used for complementary Raman thermobarometry: application to the Holsnøy eclogite, Bergen Arcs, Western Norway 
Zhong, Xin; Andersen, Niels Højmark; Dabrowski, Marcin; Jamtveit, Bjørn (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Mineral inclusions are common and have been widely used to investigate complex geological history. When a rock undergoes cooling and decompression after the entrapment of an inclusion into a host mineral, residual pressure ...
Specificity of Escherichia coli heat-Labile enterotoxin investigated by single-site mutagenesis and crystallography 
Heggelund, Julie Elisabeth; Heim, Joel Benjamin; Bajc, Gregor; Hodnik, Vesna; Anderluh, Gregor; Krengel, Ute (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Diarrhea caused by enterotoxigenic Escherichia coli (ETEC) is one of the leading causes of mortality in children under five years of age and is a great burden on developing countries. The major virulence factor of the ...
Controlling luminescence and quenching mechanisms in subnanometer multilayer structure of europium titanate thin films 
Hansen, Per-Anders Stensby; Granerød, Cecilie Skjold; Prytz, Øystein; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We have investigated how layered structures of TiO2 and Eu2O3 on the subnanometer scale control the optical absorption, energy transfer, emission and quenching mechanisms in sensitized lanthanide luminescence systems. By ...
A DFT Perspective on Diels-Alder Organocatalysts Based on Substituted Phosphoramides 
Wåhlander, Jakob Karl Kristoffer; Amedjkouh, Mohamed; Balcells, David (Journal article / Tidsskriftartikkel / SubmittedVersion, 2019)
Phosphoramides are an interesting alternative to the thiourea motif that has long been used in organocatalysis. In the R1N(H)-P(O)(R3)-N(H)R2 formulation, phosphoramides give the advantage of having a third variable ...
The coupled-cluster formalism – a mathematical perspective 
Laestadius, Andre; Faulstich, Fabian Maximilian (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The Coupled-Cluster (CC) theory is one of the most successful high precision methods used to solve the stationary Schrödinger equation. In this article, we address the mathematical foundation of this theory with focus on ...
Development of custom made bimetallic alloy model systems based on platinum-rhodium for heterogeneous catalysis 
Kumar, Susmit; Waller, David; Fjellvåg, Helmer; Sjåstad, Anja Olafsen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The current study extends the insight into solid-state diffusion in alloys of the Platinum Group Metals (PGMs). Thereby, we pave the way for tailor making surface compositions of binary platinum (Pt) – rhodium (Rh) model ...
The synergistic catalyst-carbonates effect on the direct bituminous coal fuel cell performance 
Kaklidis, N.; Strandbakke, Ragnar; Arenillas, A.; Menendez, Javier A; Konsolakis, M.; Marnellos, G.E. (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The current work explores the feasibility to improve the performance of a Direct Carbon Fuel Cell (DCFC): CO2 + bituminous coal|Co-CeO2/YSZ/Ag|Air by infusing a gasification catalyst (Co/CeO2) and/or Li-K carbonates mixture ...
Airborne measurements of particulate organic matter by proton-transfer-reaction mass spectrometry (PTR-MS): a pilot study 
Piel, Felix; Muller, Markus; Mikoviny, Tomas; Pusede, Sally E.; Wisthaler, Armin (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Herein we report on the first successful airborne deployment of the CHemical Analysis of AeRosol ONline (CHARON) particle inlet which allowed us to measure the chemical composition of atmospheric submicrometer particles ...
Anisotropy of the proton kinetic energy in ice Ih 
Yacov, Finkelstein; Raymond, Moreh; Bianchini, Federico; Vajeeston, Ponniah (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The partial vibrational density of states (pVDOS) of ice Ih, as simulated by first principle modeling based on density functional theory (DFT), is utilized for computing the Cartesian components of the proton and oxygen ...
Nano liquid chromatography columns 
Wilson, Steven Ray Haakon; Olsen, Christine; Lundanes, Elsa (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Nano liquid chromatography (nanoLC), with columns having an inner diameter (ID) of ≤100 μm, can provide enhanced sensitivity and enable analysis of limited samples. NanoLC has become an established tool in omics research, ...
Mixed proton and electron conducting double perovskite anodes for stable and efficient tubular proton ceramic electrolysers 
Vøllestad, Einar; Strandbakke, Ragnar; Tarach, Mateusz; Catalán-Martinez, David; Fontaine, Marie-Laure; Beeaff, Dustin; Clark, Daniel Ryan; Serra, José M.; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Hydrogen production from water electrolysis is a key enabling energy storage technology for the large-scale deployment of intermittent renewable energy sources. Proton ceramic electrolysers (PCEs) can produce dry pressurized ...
Differences in self‐assembly features of thermoresponsive anionic triblock copolymers synthesized via one‐pot or two‐pot by atom transfer radical polymerization 
Motlaq, Vahid F.; Momtazi, Leva; Zhu, Kaizheng; Knudsen, Kenneth Dahl; Nyström, Bo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The self‐assembly process in aqueous solutions of the methoxyl‐poly(ethylene glycol)‐block ‐poly(2‐acrylamido‐2‐methyl‐1‐propanesulfonic sodium)‐block ‐poly(N ‐isopropyl acrylamide) (PNIPAAM) triblock copolymer, synthesized ...
Recent Advances in the Use of Black TiO2 for Production of Hydrogen and Other Solar Fuels 
Chatzitakis, Athanasios Eleftherios; Sartori, Sabrina (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Black TiO2 has emerged as one of the most promising photocatalysts recently discovered. The reason behind its catalytic activity is considered to be due to the presence of defects and Ti3+ species at the surface of black ...
A cellular automaton for modeling non-trivial biomembrane ruptures 
Gupta, Abhay; Gözen, Irep; Taylor, Michael (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
A novel cellular automaton (CA) for simulating biological membrane rupture is proposed. Constructed via simple rules governing deformation, tension, and fracture, the CA incorporates ideas from standard percolation models ...
First-Principles Study of the Structural Stability and Dynamic Properties of Li2MSiO4 (M = Mn, Co, Ni) Polymorphs 
Vajeeston, Ponniah; Bianchini, Federico; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
In recent years, the scientific community has shown an increasing interest in regards to the investigation of novel materials for the intercalation of lithium atoms, suitable for application as cathodes in the new generations ...
Towards a satellite formaldehyde - In situ hybrid estimate for organic aerosol abundance 
Liao, Jin; Hanisco, Thomas F.; Wolfe, Glenn M.; Clair, Jason M. St.; Jimenez, José L.; Campuzano-Jost, Pedro; Nault, Benjamin A.; Fried, Alan; Marais, Eloise A.; Gonzalez Abad, Gonzalo; Chance, Kelly V.; Jethva, Hiren T; Ryerson, Thomas B.; Warneke, Carsten; Wisthaler, Armin (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Organic aerosol (OA) is one of the main components of the global particulate burden and intimately links natural and anthropogenic emissions with air quality and climate. It is challenging to accurately represent OA in ...
Investigation of the electrostatic potential of a grain boundary in Y-substituted BaZrO3 using inline electron holography 
Bondevik, Tarjei; Ness, Heine H.; Bazioti, Kalliopi; Norby, Truls Eivind; Løvvik, Ole Martin; Koch, Christoph T.; Prytz, Øystein (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
We apply inline electron holography to investigate the electrostatic potential across an individual BaZr0.9Y0.1O3 grain boundary. With holography, we measure a grain boundary potential of −1.3 V. Electron energy loss ...
Characterization of Inulin-Type Fructan from Platycodon grandiflorus and Study on Its Prebiotic and Immunomodulating Activity 
Pang, Di-Jiang; Huang, Chao; Chen, Mei-Ling; Chen, Yu-Long; Fu, Yu-Ping; Paulsen, Berit Smestad; Rise, Frode; Zhang, Bing-Zhao; Chen, Zheng-Li; Jia, Ren-Yong; Li, Li-Xia; Song, Xu; Feng, Bin; Ni, Xue-Qin; Yin, Zhong-Qiong; Zou, Yuan-Feng (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Platycodon grandiflorus is a plant widely used in traditional Chinese medicine, of which polysaccharides are reported to be the main components responsible for its bio-functions. In this work, the inulin-type fructan (PGF) ...
Challenges for measuring oxytocin: The blind men and the elephant? 
MacLean, Evan L.; Wilson, Steven Ray Haakon; Martin, W. Lance; Davis, John; Nazarloo, Hossein P.; Carter, C. Sue (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Since its discovery more than a century ago, oxytocin has become one of the most intensively studied molecules in behavioral biology. In the last five years, Psychoneuroendocrinology has published more than 500 articles ...
Fast liquid chromatography-mass spectrometry reveals side chain oxysterol heterogeneity in breast cancer tumour samples 
Solheim, Stian; Hutchinson, Samantha A; Lundanes, Elsa; Wilson, Steven Ray Haakon; Thorne, James L; Røberg-Larsen, Hanne (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Oxysterols can contribute to proliferation of breast cancer through activation of the Estrogen Receptors, and to metastasis through activation of the Liver X Receptors. Endogenous levels of both esterified and free ...
A Research-Inspired Biochemistry Laboratory Module - Combining Expression, Purification, Crystallization, Structure-Solving, and Characterization of a Flavodoxin-like Protein 
Hammerstad, Marta; Kjendseth, Åsmund Røhr; Hersleth, Hans-Petter (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Many laboratory courses consist of short and seemingly unconnected individual laboratory exercises. To increase the course consistency, relevance, and student engagement, we have developed a research‐inspired and project‐based ...
Biocompatible organic-inorganic hybrid materials based on nucleobases and titanium developed by molecular layer deposition 
Momtazi, Leva; Sønsteby, Henrik Hovde; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We have constructed thin films of organic–inorganic hybrid character by combining titanium tetra-isopropoxide (TTIP) and the nucleobases thymine, uracil or adenine using the molecular layer deposition (MLD) approach. Such ...
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