Nye registreringer

  • Cryptophanes for Methane and Xenon Encapsulation: A Comparative Density Functional Theory Study of Binding Properties and NMR Chemical Shifts 

    Demissie, Taye Beyene; Ruud, Kenneth; Hansen, Jørn H. (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-11-27)
    The host-guest chemistry of cryptophanes is an active research area because of its applications in sensor design, targeting small molecules and atoms in environmental and medical sciences. As such, the computational ...
  • Anomalous phosphorescence from an organometallic white-light phosphor 

    Paul, Lopa; Chakrabarti, Swapan; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-09-25)
    We report theoretical results on the possible violation of Kasha’s rule in the phosphorescence process of (acetylacetonato)bis(1-methyl-2-phenylimidazole)iridium(III), and show that the anomalous emission from both the ...
  • Entropy and Enzyme Catalysis 

    Åqvist, Johan; Kazemi, Masoud; Isaksen, Geir Villy; Brandsdal, Bjørn Olav (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-02-07)
    The role played by entropy for the enormous rate enhancement achieved by enzymes has been debated for many decades. There are, for example, several confirmed cases where the activation free energy is reduced by around 10 ...
  • Complete Genome Sequences of Seven Vibrio anguillarum Strains as Derived from PacBio Sequencing 

    Holm, Kåre Olav; Bækkedal, Cecilie; Johansson Söderberg, Jenny; Haugen, Peik (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-04-07)
    We report here the complete genome sequences of seven Vibrio anguillarum strains isolated from multiple geographic locations, thus increasing the total number of genomes of finished quality to 11. The genomes were de novo ...
  • Rhodium-Catalyzed Synthesis of Sulfur Ylides via in Situ Generated Iodonium Ylides 

    Vaitla, Janakiram; Hopmann, Kathrin H.; Bayer, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-11-22)
    A convenient strategy for the synthesis of sulfur ylides via rhodium-catalyzed coupling of in situ generated iodonium ylides with sulfides or sulfoxides has been developed. A wide range of sulfur ylides were obtained in ...
  • Synthesis of Indoles and Pyrroles Utilizing Iridium Carbenes Generated from Sulfoxonium Ylides 

    Vaitla, Janakiram; Bayer, Annette; Hopmann, Kathrin Helen (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-03-20)
    Metal carbenes can undergo a myriad of synthetic transformations. Sulfur ylides are potential safe precursors of metal carbenes. Herein, we report cascade reactions that involve carbenoids derived from sulfoxonium ylides ...
  • Structural insights into TMB-1 and the role of residues 119 and 228 in substrate and inhibitor binding 

    Skagseth, Susann; Christopeit, Tony; Akhter, Sundus; Bayer, Annette; Samuelsen, Ørjan; Leiros, Hanna-Kirsti S. (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-05-30)
    Metallo-β-lactamases (MBLs) threaten the effectiveness of β-lactam antibiotics, including carbapenems, and are a concern for global public health. β-Lactam/β-lactamase inhibitor combinations active against class A and class ...
  • A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design 

    Ahkter, Sundus; Lund, Bjarte Aarmo; Ismael, Aya; Langer, Manuel; Isaksson, Johan; Christopeit, Tony; Leiros, Hanna-Kirsti S.; Bayer, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-02-10)
    β-Lactam antibiotics are of utmost importance when treating bacterial infections in the medical community. However, currently their utility is threatened by the emergence and spread of β-lactam resistance. The most ...
  • 3,4-Dihydroquinoxalin-2-ones: recent advances in synthesis and bioactivities 

    Kristoffersen, Tone; Hansen, Jørn H. (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-04-26)
    A summary of recent synthesis approaches to 3,4-dihydroquinoxaline-2-ones is discussed herein along with highlights of biological activity. The synthetic approaches include access to enantiopure heterocycles from chiral ...
  • Characterization of a neuraminic acid synthase from the psychrophilic organism Moritella viscosa 

    Berg, Tor Olav (Master thesis; Mastergradsoppgave, 2013-05-15)
    Sialic acids are family of nine carbon α-keto acids found to have important roles mammals and bacteria. They are negatively charged sugars which have found to play critical roles in the cognitive development, as well as ...
  • EURODELTA-Trends, a multi-model experiment of air quality hindcast in Europe over 1990-2010 

    Colette, Augustin; Andersson, Camilla; Manders, Astrid; Mar, Kathleen; Mircea, Mihaela; Pay, Maria-Teresa; Raffort, Valentin; Tsyro, Svetlana G.; Cuvelier, Cornelius; Adani, Mario; Bessagnet, Bertrand; Bergström, Robert; Briganti, Gino; Butler, Tim; Cappelletti, Andrea; Couvidat, Florian; D'Isidoro, Massimo; Doumbia, Thierno; Fagerli, Hilde; Granier, Claire; Heyes, Chris; Klimont, Zig; Ojha, Narendra; Otero, Noelia; Schaap, Martijn; Sindelarova, Katarina; Stegehuis, Annemiek I.; Roustan, Yelva; Vautard, Robert; Van Meijgaard, Erik; Garcia Vivanco, Marta; Wind, Peter Ariaan (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-09-05)
    The EURODELTA-Trends multi-model chemistry-transport experiment has been designed to facilitate a better understanding of the evolution of air pollution and its drivers for the period 1990–2010 in Europe. The main ...
  • Metallo-β-lactamase inhibitors by bioisosteric replacement: preparation, activity and binding 

    Skagseth, Susann; Akhter, Sundus; Paulsen, Marianne H; Muhammad, Zeeshan; Samuelsen, Ørjan; Leiros, Hanna-Kirsti S.; Bayer, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-04-14)
    Bacterial resistance is compromising the use of β-lactam antibiotics including carbapenems. The main resistance mechanism against β-lactams is hydrolysis of the β-lactam ring mediated by serine- or metallo-β-lactamases ...
  • Energetics of saddling versus ruffling in metalloporphyrins: Unusual ruffled dodecasubstituted porphyrins 

    Conradie, Jeanet; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-10-13)
    Presented herein is a first major density functional theory (BP86/D3/STO-TZ2P) survey of the energetics of saddling versus ruffling for a wide range of dodecasubstituted metalloporphyrins with M = Ni, Cu, Zn, Pd, and Pt. ...
  • Simultaneous electrodialytic removal of PAH, PCB, TBT and heavy metals from sediments 

    Pedersen, Kristine; Lejon, Tore; Jensen, Pernille E.; Ottosen, Lisbeth M. (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-04-29)
    Contaminated sediments are remediated in order to protect human health and the environment, with the additional benefit of using the treated sediments for other activities. Common for many polluted sediments is the ...
  • Structural insight into a CE15 esterase from the marine bacterial metagenome 

    De Santi, Concetta; Gani, Osman A. B. S. M.; Helland, Ronny; Williamson, Adele Kim (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-12-08)
    The family 15 carbohydrate esterase (CE15) MZ0003, which derives from a marine Arctic metagenome, has a broader substrate scope than other members of this family. Here we report the crystal structure of MZ0003, which reveals ...
  • Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR 

    Narayanan, Dilip; Gani, Osman; Gruber, Franz; Engh, Richard Alan (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-07-04)
    Drug design of protein kinase inhibitors is now greatly enabled by thousands of publicly available X-ray structures, extensive ligand binding data, and optimized scaffolds coming off patent. The extensive data begin to ...
  • Accurate prediction of emission energies with TD-DFT methods for platinum and iridium OLED materials 

    Morello, Glenn Robert (Journal article; Tidsskriftartikkel, 2017-05-02)
    Accurate prediction of triplet excitation energies for transition metal complexes has proven to be a difficult task when confronted with a variety of metal centers and ligand types. Specifically, phosphorescent transition ...
  • β-Octabromo- and β-Octakis(trifluoromethyl)isocorroles: New Sterically Constrained Macrocyclic Ligands 

    Kolle, Ekaney Thomas; Beavers, Christine M.; Gagnon, Kevin J.; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-05-26)
    Presented herein is a study of the acid-induced demetalation of two sterically hindered copper corroles, Cu b-octabromomeso-triphenylcorrole (Cu[Br8TPC]) and b-octakis(trifluoromethyl)-meso-tris(p-methoxyphenyl)corrole ...
  • One-Pot Synthesis of a bis-Pocket Corrole through a 14-fold Bromination Reaction. 

    Norheim, Hans-Kristian; Schneider, Christian; Gagnon, Kevin J.; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-02-14)
    A one-pot protocol, effecting 14-fold bromination with elemental bromine, has afforded copper β-octabromo-meso-tris (2,6-dibromo-3,5-dimethoxyphenyl) corrole, a new bis-pocket metallocorrole. The Cu complex underwent smooth ...
  • Dynamical models of mutated chronic myelogenous leukemia cells for a postimatinib treatment scenario: Response to dasatinib or nilotinib therapy 

    Woywod, Clemens Joachim; Gruber, Franz; Engh, Richard Alan; Flå, Tor (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-07-05)
    Targeted inhibition of the oncogenic BCR-ABL1 fusion protein using the ABL1 tyrosine kinase inhibitor imatinib has become standard therapy for chronic myelogenous leukemia (CML), with most patients reaching total and durable ...

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