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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 ...
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, ...
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. ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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, ...
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 = ...
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, ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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. ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
First observation of surface protonics on SrZrO3 perovskite under a H2 atmosphere 
Husai, Yudai; Murakami, Kota; Kamite, Yukiko; Ma, Quanbao; Vøllestad, Einar; Manabe, Ryo; Matsuda, Takumi; Ogo, Shuhei; Norby, Truls Eivind; Sekine, Yasushi (Journal article / PublishedVersion; Peer reviewed, 2020)
This is the first direct observation that surface proton hopping occurs on SrZrO3 perovskite even under a H2 (i.e. dry) atmosphere. Understanding proton conduction mechanisms on ceramic surfaces under a H2 atmosphere is ...
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 ...
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 ...
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 ...
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)
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) ...
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 ...
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 ...
Evolving the naturally compromised chorismate mutase from Mycobacterium tuberculosis to top performance 
Fahrig-Kamarauskaitė, Jūratė; Würth-Roderer, Kathrin; Thorbjørnsrud, Helen Vikdal; Mailand, Susanne; Krengel, Ute; Kast, Peter (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Chorismate mutase (CM), an essential enzyme at the branch-point of the shikimate pathway, is required for the biosynthesis of phenylalanine and tyrosine in bacteria, archaea, plants, and fungi. MtCM, the CM from Mycobacterium ...
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 ...
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 ...
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 ...
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 ...
Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti 
Manna, Dipankar; Cordara, Gabriele; Krengel, Ute (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The Marasmius oreades agglutinin (MOA) is the holotype of an emerging family of fungal chimerolectins and an active Ca2+/Mn2+-dependent protease, which exhibits a unique papain-like fold with special active site features. ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
Single-step approach to sensitized luminescence through bulk-embedded organics in crystalline fluorides 
Hansen, Per-Anders Stensby; Zikmund, Tomas; Yu, Ting; Kvalvik, Julie Nitsche; Aarholt, Thomas; Prytz, Øystein; Meijerink, Andries; Nilsen, Ola (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Abstract Luminescent materials enable warm white LEDs, molecular tagging, enhanced optoelectronics and can improve energy harvesting. With the recent development of multi-step processes like down- and upconversion ...
Synthesis, Characterization, and Reactivity of Cyclometalated Gold(III) Dihalide Complexes in Aqua Regia 
Levchenko, Vladimir; Nova, Ainara; Øien-Ødegaard, Sigurd; Balcells, David; Tilset, Mats (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
A range of N,C‐chelated, cyclometalated gold(III) complexes Au(ppyR)X2 have been prepared and characterized by spectroscopic, crystallographic, and computational means. Here, ppyH is 2‐phenylpyridine dicarboxylic acid ...
Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal–Organic Framework 
Gutterød, Emil Sebastian; Lazzarini, Andrea; Fjermestad, Torstein; Kaur, Gurpreet; Manzoli, Maela; Bordiga, Silvia; Svelle, Stian; Lillerud, Karl Petter; Skúlason, Egill; Øien-Ødegaard, Sigurd; Nova, Ainara; Olsbye, Unni (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Metal–organic frameworks (MOFs) show great prospect as catalysts and catalyst support materials. Yet, studies that address their dynamic, kinetic, and mechanistic role in target reactions are scarce. In this study, an ...
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, ...
Pancreas-on-a-Chip Technology for Transplantation Applications 
Abadpour, Shadab; Olsen, Petter Angell; Shoji, Kayoko; Wilson, Steven Ray Haakon; Krauss, Stefan; Scholz, Hanne Bjørnson (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Abstract Purpose of Review Human pancreas-on-a-chip (PoC) technology is quickly advancing as a platform for complex in vitro modeling of islet physiology. This review summarizes the current progress ...
A temporal analysis of products (TAP) study of C2-C4 alkene reactions with a well-defined pool of methylating species on ZSM-22 zeolite 
Redekop, Evgeniy; Lazzarini, Andrea; Bordiga, Silvia; Olsbye, Unni (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Reactions between alkenes and methanol or dimethyl ether (DME) on zeolite catalysts are involved in industrial processes that are highly relevant for the transition to renewable carbon sources, such as the Methanol-To-Hydrocarbons ...
Influence of Cu-speciation in mordenite on direct methane to methanol conversion: Multi-Technique characterization and comparison with NH3 selective catalytic reduction of NOx 
Pappas, Dimitrios; Kvande, Karoline; Kalyva, Maria Evangelou; Dyballa, Michael Martin; Lomachenko, Kirill A.; Arstad, Bjørnar; Borfecchia, Elisa; Bordiga, Silvia; Olsbye, Unni; Beato, Pablo; Svelle, Stian (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The direct conversion of methane to methanol has the potential of substantially reducing methane emissions and flaring, as such a process might provide an alternative for remote natural gas locations. In this report, we ...
Catalytic studies of cyclometalated gold(III) complexes and their related UiO-67 MOF 
Levchenko, Vladimir; Siah, Huey-San Melanie; Øien-Ødegaard, Sigurd; Kaur, Gurpreet; Fiksdahl, Anne; Tilset, Mats (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Cyclometalated gold(III) complexes Au(L)(OAcF)2 (L = phenylpyridine dicarboxylic diester (ppyde) or phenylpyridine dicarboxylic acid (ppydc)) have been prepared reacting Au(OAc)3 with corresponding phenyl pyridines (ppyde ...
Impact of inversion symmetry on a quasi-1D S = 1 system 
Kim, J.K.; Ranjith, K.M.; Burkhardt, U.; Prots, Yu; Baenitz, M.; Valldor, Björn Martin (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Here, we report the synthesis and magnetic properties of a novel, centrosymmetric, quasi-1D spin chain system La3VWS3O6, with hexagonal crystal structure (P63/m, a  =  9.460 76(3), c  =  5.518 09(2) Å). Pure powders were ...
Selective etching of nanostructured a-Si:Al and its effect on porosity, Al gradient and surface oxidation 
Kjeldstad, Torunn; Thøgersen, Annett; Stange, Marit Synnøve Sæverud; Jensen, Ingvild Julie Thue; Nilsen, Ola; Galeckas, Augustinas; Monakhov, Eduard (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Nanoporous amorphous silicon (a-Si) with <5 nm cylindrical pores have been fabricated by phase separation of aluminum (Al) and silicon, forming self-assembled Al nanowires (NWs), followed by subsequent removal of Al by wet ...
44-Methylgambierone, a new gambierone analogue isolated from Gambierdiscus australes 
Murray, J Sam; Selwood, Andrew I.; Harwood, D Tim; van Ginkel, Roel; Puddick, Jonathan; Rhodes, Lesley L; Rise, Frode; Wilkins, Alistair L. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
A new analogue of gambierone, 44-methylgambierone, was isolated from the benthic dinoflagellate Gambierdiscus australes collected from Raoul Island (Rangitahua/Kermadec Islands). This molecule has been previously reported ...
High performance and toxicity assessment of Ta3N5 nanotubes for photoelectrochemical water splitting 
Xu, Kaiqi; Chatzitakis, Athanasios Eleftherios; Risbakk, Sanne; Yang, Mingyi; Backe, Paul Hoff; Grandcolas, Mathieu; Bjørås, Magnar; Norby, Truls Eivind (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
In this work, Co-based cocatalysts are electrodeposited on mesoporous Ta3N5 nanotubes. The electrodeposition time is varied and the optimized photoelectrode reaches a photocurrent density of 6.3 mA/cm2 at 1.23 V vs. SHE, ...
The edible mushroom Albatrellus ovinus contains a α-L-fuco-α-D-galactan, α-D-glucan, a branched (1→6)-β-D-glucan and a branched (1→3)-β-D-glucan 
Samuelsen, Anne Berit C.; Rise, Frode; Wilkins, Alistair L.; Teveleva, Lioubov; Nyman, Anna Armika Tussilago; Aachmann, Finn Lillelund (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Albatrellus ovinus, the sheep polypore, is a large, dense mushroom being rich in cell wall material. Polysaccharides were isolated by sequential extraction, enzymatic treatment and analyzed with respect to monosaccharide ...
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 ...
Crystal structure of LaSr3Fe3O9 and its phase relation with LaSr3Fe3O10 
Fjellvåg, Øystein; Øygarden, Vegar; Sørby, Magnus Helgerud; Sjåstad, Anja Olafsen (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The Ruddlesden-Popper phase LaSr3Fe3O10 and its reduced derivatives with nominal composition LaSr3Fe3O10–x, with 0 < x < 1.21, are described in detail with respect to crystal structure, magnetic order, thermal stability ...
CENP‐C unwraps the human CENP‐A nucleosome through the H2A C‐terminal tail 
Ali Ahmad, Ahmad; Bilokapic, Silvija; Schafer, Ingmar B; Halic, Mario; Sekulic, Nikolina (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Centromeres are defined epigenetically by nucleosomes containing the histone H3 variant CENP ‐A, upon which the constitutive centromere‐associated network of proteins (CCAN ) is built. CENP ‐C is considered to be a central ...
Cooperativity during Melting and Molecular Exchange in Micelles with Crystalline Cores 
König, Nico; Willner, Lutz; Pipich, Vitaliy; Zinn, Thomas; Lund, Reidar (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Molecular exchange processes are important equilibration and transport mechanisms in both synthetic and biological self-assembled systems such as micelles, vesicles, and membranes. Still, these processes are not entirely ...
Physical properties of Ruddlesden-Popper (n = 3) nickelate: La4Ni3O10 
Kumar, Susmit; Fjellvåg, Øystein; Sjåstad, Anja Olafsen; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Nickelates, just like their isoelectronic cousins (the cuprate superconductors), are candidates for high temperature superconductivity. As charge density waves (CDW) and superconductivity might share a similar microscopic ...
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 ...
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. ...
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 ...
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 ...
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 ...
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. ...
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 ...
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 ...
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 ...
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 ...
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, ...
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 ...
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 ...
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 ...
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. ...
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 ...
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 ...
A biophysical study of the interactions between the antimicrobial peptide indolicidin and lipid model systems 
Nielsen, Josefine Eilsø; Lind, Tania Kjellerup; Lone, Abdullah; Gerelli, Yuri; Hansen, Paul Robert; Jenssen, Håvard; Cardenas, Marite; Lund, Reidar (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The naturally occurring peptide indolicidin from bovine neutrophils exhibits strong biological activity against a broad spectrum of microorganisms. This is believed to arise from selective interactions with the negatively ...
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 ...
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 ...
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 ...
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 ...
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 ...
Control of growth orientation in as-deposited epitaxial iron-rich nickel ferrite spinel 
Bratvold, Jon E.; Sønsteby, Henrik Hovde; Nilsen, Ola; Fjellvåg, Helmer (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The authors here report epitaxial growth of the ferrimagnet NixFe3–xO4 (NFO) by atomic layer deposition at low temperatures. Films grow epitaxially at a reactor temperature of 250 °C and require no further postannealing ...
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 ...
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 ...
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