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Optimization of UiO-67 type Metal-Organic Frameworks for Catalysis 
Kaur, Gurpreet (Doctoral thesis / Doktoravhandling, 2020)
Materials with pores of controlled size and connectivity are of fundamental importance in chemical industry and research. The pores in microporous materials, which have the same dimensions as individual molecules, can be ...
Characterization of Heat Storage Materials with Neutron Scattering and Imaging Techniques 
Berdiyeva, Perizat (Doctoral thesis / Doktoravhandling, 2020)
Roughly, three-quarters of the energy produced in the world ends up as waste heat. However, the waste heat can be harvested, stored and reused using specially built heat storage reactors for high- or low-temperature ...
Artificial photosynthesis: Advanced nanomaterials and use of biocatalysts for novel photoelectrochemical cells 
Xu, Kaiqi (Doctoral thesis / Doktoravhandling, 2020)
The capture and storage of solar energy in chemical form by a photoelectrochemical (PEC) cell is an elegant and simple solution to the increasing energy demands and needs for chemicals and fuels from non-fossil sources. ...
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 ...
Removing Contaminants from non-ideal Hydrometallurgical Solutions: Assessment of Cd(II) Liquid-liquid Extraction with Aliquat 336 in Toluene 
Lerum, Hans Vigeland (Doctoral thesis / Doktoravhandling, 2020)
This dissertation aims to study methods of speciation and extraction of metals in industrial solutions. the metals studied has low concentration relative to the main product in the industrial solution. The result is species ...
Corrosion in CO2 transport pipeline: Formation of corrosive phases in dense phase CO2 
Morland, Bjørn Helge (Doctoral thesis / Doktoravhandling, 2020)
Carbon capture and storage is suggested as one of the solutions to reduce CO2 emissions. Material choice is an important part for the total cost of the transport system for CO2. The present work comprises investigations ...
A Computational Perspective on the Interplay Between Metal Dopant and Support in the Structure and Reactivity of Oxidized Cubanes Restricted Access
Skjelstad, Bastian Bjerkem (Master thesis / Masteroppgave, 2020)
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 ...
A targeted proteomics approach for the investigation of drug-induced liver injury in hepatic organoids using nano liquid chromatography mass spectrometry 
Schüller, Maria (Master thesis / Masteroppgave, 2020)
Late-stage drug attrition and post-market withdrawals attributed to drug-induced liver injury (DILI) has been a prevailing concern for the pharmaceutical industry. The current gaps in preclinical safety assessment impede ...
Synthesis and characterization of 2,6-NDC zirconium MOF 
Sannes, Dag Kristian (Master thesis / Masteroppgave, 2020)
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 = ...
NMR and spectrophotometric investigations of D-glyceraldehyde metabolism via methylglyoxal 
Reyes Cordero, Patricia (Master thesis / Masteroppgave, 2020)
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 ...
𝑪𝑶𝟐 adsorption and characterization of tailor-made metal-organic frameworks 
Sannes, Johnny Andreas (Master thesis / Masteroppgave, 2020)
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 ...
Advances in the Hybrid Particle-Field Approach: Towards Biological Systems 
Bore, Sigbjørn Løland (Doctoral thesis / Doktoravhandling, 2020)
This dissertation aims at advancing the capability of hybrid particle-field simulations of representing various physical phenomena relevant to biological systems. While hybrid particle-field simulations are computationally ...
Retention of nitramines on silica-based reversed phase materials and UiO-66 MOF materials Restricted Access
Flatval, Jonas (Master thesis / Masteroppgave, 2020)
Capturing and storing of CO2 can reduce the emissions of CO2 in the atmosphere. However, such facilities may emit amines that can be transformed into the potentially carcinogenic nitramines dimethylnitramine (DMA-NO2), ...
Synthesis of Phenanthridine-Containing Polycyclic Ring Systems through Intramolecular Diels-Alder Reaction on Furan (IMDAF) 
Gulbrandsen, Håkon Sætren (Doctoral thesis / Doktoravhandling, 2020)
The work described in this thesis focused on developing a method to synthesise a variety of organic molecules with imidazophenanthridine or pyrrolophenanthridine ring structures. These are complex structures with previously ...
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 ...
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 ...
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 ...
A Study of Catalytic Pt Nanoparticles inside a Nano-porous Functionalized UiO MOF-matrix for CO2-Hydrogenation 
Solemsli, Bjørn Gading (Master thesis / Masteroppgave, 2020)
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 ...
Functional Properties and Electrochemical Performance of New Positrode Materials for Proton Ceramic Electrochemical Cells 
Andersen, Håkon (Master thesis / Masteroppgave, 2020)
Determination of liver organoid- and spheroid induced drug metabolites using liquid chromatography-mass spectrometry Restricted Access
Boger, Ida Caroline Sneis (Master thesis / Masteroppgave, 2020)
The liver is the main metabolizing organ in the human body, and several in vitro models have been developed to resemble hepatic drug metabolism. However, commonly used in vitro models such as human liver microsomes (HLMs), ...
Mathematical Aspects of Coupled-Cluster Theory in Chemistry 
Faulstich, Fabian Maximilian (Doctoral thesis / Doktoravhandling, 2020)
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 ...
Synthesis and evaluation of radiopharmaceuticals for targeted radionuclide therapy Restricted Access
Hartvig, Karoline (Master thesis / Masteroppgave, 2020)
Nowadays, radionuclides play an important role in oncology, especially in the developing field of targeted radionuclide therapy (TRT). In this master thesis, the focus is to evaluate different radiolabeled targeting molecules ...
Local Møller-Plesset perturbation theory for periodic systems - a study of long-range interactions and convergence. Restricted Access
Aurbakken, Einar (Master thesis / Masteroppgave, 2020)
Rational Design of MOFs for CO2 Capture 
Brevik, Robert (Master thesis / Masteroppgave, 2020)
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 ...
Total Synthesis of Agelasine F and Synthesis Directed towards ent-Ageloxime D: Two Natural Products with Interesting Biological Activities 
Paulsen, Britt (Doctoral thesis / Doktoravhandling, 2020)
The work described in this thesis has focused on total synthesis directed towards two different classes of secondary metabolites isolated from the Agelas sponge, ageloxime D and analogs, and agelasine F. Ageloximes were ...
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 ...
Investigating the Lipid Coverage of the Dried Blood Spot Metabolome using Liquid Chromatography – Mass Spectrometry for Global Metabolomics 
Haugan, Hege Sofie (Master thesis / Masteroppgave, 2020)
Development and implementation of open tubular columns for high-sensitivity liquid chromatography-mass spectrometry proteomics of liver organoids 
Hermansen, Astrid (Master thesis / Masteroppgave, 2020)
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 ...
Synthesis and Characterization of Amine-Functionalized Linkers for Zr-based Metal-Organic Frameworks 
Filipowicz, Karolina Magdalena (Master thesis / Masteroppgave, 2020)
Prospective synthesis of pyridine and pyrimidine derived trifluoromethyl ketones 
Vassilakis, Madelene Svendsen (Master thesis / Masteroppgave, 2020)
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)
Potential endocrine disrupting activity of cyanobacteria: Possible roles for microcystins 
Mallia, Vittoria (Doctoral thesis / Doktoravhandling, 2020)
This thesis investigated the connection between two major global concerns: the infamous cyanobacteria (“blue-green algae”), and the endocrine disruptors, compounds able to interfere with the hormonal system. Do cyanobacteria ...
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 ...
UiO-66 metal-organic framework materials as stationary phases in liquid chromatography 
Andersen, Kari Anne (Master thesis / Masteroppgave, 2020)
Potentiometric acid-base titration as a tool to characterize porous solid acids Restricted Access
Kumar, Sushant (Master thesis / Masteroppgave, 2020)
Potentiometric acid-base titration was introduced to measure pKa values (Brønsted acidity) of protons in Zr_6-based metal-organic frameworks (MOFs), including UiO-type MOFs and MOF-808. The pKa values of three typical types ...
Synthesis and Characterization of Halogenated NHC-Au(I) Complexes and Investigation for use in Atomic Layer Deposition 
Nyrud, Jeroen Ingolf Ketele (Master thesis / Masteroppgave, 2020)
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 ...
Theoretical Investigations of Molecular Electronic Structure in a Magnetic Field 
Austad, Jon (Doctoral thesis / Doktoravhandling, 2020)
Most available literature on molecular systems in magnetic fields are limited to special cases: Either small or highly symmetric species of specific orientation to the field, or fields of low intensity - or combinations ...
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) ...
Structure and Exchange Kinetics of Nanocrystalline Micelles, Telechelic Hydrogels and Self-Assembling Antimicrobial Peptides 
König, Nico (Doctoral thesis / Doktoravhandling, 2020)
Self-assembly represents an easy way to create large quantities of various kinds of nanoparticles. Small molecules are “programmed” to self-organize into nanostructures, without external manipulation. These nanostructures ...
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 ...
Follow the Light - Tracking 14F7’s cellular journey with luminescence 
Pesci, Giacomo (Master thesis / Masteroppgave, 2020)
Cancer is one of the leading causes of premature death in the world and its incidence and mortality are rapidly growing worldwide. Despite the biological heterogeneity of cancer, most patients are still treated with generic ...
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 ...
Studying spatial trends of heavy metals in soil from a tropical region Restricted Access
Jørgensen, Susanne Jøntvedt (Master thesis / Masteroppgave, 2020)
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 ...
Biodegradability and spectroscopic properties of DNOM affected by mercury transport and uptake Restricted Access
Færgestad, Eline Mosleth (Master thesis / Masteroppgave, 2019)
Dissolved natural organic matter (DNOM) is a complex mixture of heterogeneous organic macromolecules that are formed in the environment, mainly by decay of plant and animal remains. All freshwaters contain a certain amount ...
Studying the Kinetic Pathways for Micellar Solubilisation Using Small Angle Scattering Techniques: Interaction Between an Anionic Surfactant and Polymer Micelles 
Myhre, Synne (Master thesis / Masteroppgave, 2019)
Polymer micelles can be used in pharmaceuticals, detergents, cosmetics and have a potential for drug delivery systems. In many applications of polymeric micelles, there are also surfactant molecules present. Still, it is ...
Extraction of zinc from highly saline and acidic solutions 
Raskovic-Lovre, Zeljka (Master thesis / Masteroppgave, 2019)
Oxyhydrides – Synthesis, Crystal Structure and Properties 
Fjellvåg, Øystein Slagtern (Doctoral thesis / Doktoravhandling, 2019)
This thesis focus on the research of the new and scarcely explored material class oxyhydrides, where the anionic lattice consists of both oxide and hydride anions. Selected oxyhydrides described by the formula La2‑xNdxLiHO3 ...
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 ...
Simple Models for Biological CO₂-fixation: Gas-Phase Carboxylation of Deprotonated Glycolaldehyde and Its Reverse Analogs Restricted Access
Løyland, Sverre (Master thesis / Masteroppgave, 2019)
In this work a simple model for biological CO₂-fixation by RuBisCO has been studied where the usual C₅-substrate has been replaced by the C₂-carbohydrate glycolaldehyde in its deprotonated form which is the simplest ion ...
Immunocapture of oxytocin followed by liquid chromatography-mass-spectrometric detection Restricted Access
Riddervold, Jan Thomas (Master thesis / Masteroppgave, 2019)
Egnethet av en minigasskromatograf i kjemi programfag i norsk videregående skole 
Tveit, Svein (Master thesis / Masteroppgave, 2019)
Praktisk gjennomføring av kromatografi i videregående skole blir vanligvis gjort ved at elevene får gjennomføre papir- eller tynnsjiktkromatografi. Med økt tilgang på billige gasskromatografer til undervisningsformål bør ...
4G9: An antibody that potentially imitates a cancer-related carbohydrate 
Solbakke, Kristoffer Gudesen (Master thesis / Masteroppgave, 2019)
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 ...
Towards a Model System for Lamellar Magnetism by Atomic Layer Deposition 
Bratvold, Jon Einar (Doctoral thesis / Doktoravhandling, 2019)
We have developed the first atomic layer deposition (ALD) processes for thin films of iron in a +2 oxidation state (Fe2+), as well as nickel titanate (NiTiO3). These materials are important for the understanding and ...
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