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    • A Synergy of Artificial Bee Colony and Genetic Algorithms to Determine the Parameters of the Σ-Gram Distance 

      Muhammad Fuad, Muhammad Marwan (Journal article; Tidsskriftartikkel; Peer reviewed, 2014)
      In a previous work we presented the Σ-gram distance that computes the similarity between two sequences. This distance includes parameters that we calculated by means of an optimization process using artificial bee colony. In another work we showed how population-based bio-inspired algorithms can be sped up by applying a method that utilizes a pre-initialization stage to yield an optimal initial ...

    • Synthesis and biological evaluation of new dipicolylamine zinc chelators as metallo-β-lactamase inhibitors 

      Prandina, Anthony; Radix, Sylvie; Le Borgne, Marc; Jordheim, Lars Petter; Bousfiha, Zineb; Fröhlich, Christopher; Leiros, Hanna-Kirsti S.; Samuelsen, Ørjan; Frøvold, Espen; Rongved, Pål; Åstrand, Ove Alexander Høgmoen (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-02-02)
      Antibiotics are key drugs in modern healthcare, especially in hospitals, where multiresistant bacteria resides and is a potential threat to human health. In the present work, a new series of adjuvants working synergistically with the carbapenem meropenem, in which a selective zinc-chelating agent was covalently linked to the small bacterial peptide D-Ala-D-Ala, was synthesized and tested against ...

    • Synthesis and Molecular Structure of a Copper Octaiodocorrole 

      Thomassen, Ivar Kristian; McCormick, Laura J.; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-05-09)
      Although rather delicate on account of their propensity to undergo deiodination, β-octaiodoporphyrinoids are of considerable interest as potential precursors to novel β-octasubstituted macrocycles. Presented herein are early results of our efforts to synthesize β-octaiodocorrole derivatives. Oxidative condensation of 3,4-diiodopyrrole and aromatic aldehydes failed to yield free-base octaiodocorroles. ...

    • Synthesis and molecular structure of perhalogenated rhenium-oxo corroles 

      Alemayehu, Abraham B.; Einrem, Rune F.; McCormick‑McPherson, Laura J.; Settineri, Nicholas S.; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-11-12)
      As part of our efforts to develop rhenium-oxo corroles as photosensitizers for oxygen sensing and photodynamic therapy, we investigated the potential <i>β</i>-perhalogenation of five ReO <i>meso</i>-tris(<i>para</i>-X-phenyl)corroles, Re[T<i>p</i>XPC](O) (X = CF<sub>3</sub>, H, F, CH<sub>3</sub>, and OCH<sub>3</sub>), with elemental chlorine and bromine. With Cl<sub>2</sub>, <i>β</i>-octachlorinated ...

    • Synthesis of 5,7-diarylindoles via Suzuki-Miyaura coupling in water 

      Elumalai, Vijayaragavan; Hansen, Jørn H (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-11-16)
      The synthesis of novel 5,7-diaryl and diheteroaryl indoles has been explored via efficient double Suzuki–Miyaura coupling. The method notably employs a low catalyst loading of Pd(PPh<sub>3</sub>)<sub>4</sub> (1.5 mol%/coupling) and water as the reaction solvent to obtain 5,7-diarylated indoles without using N-protecting groups in up to 91% yield. The approach is also suitable for N-protected and ...

    • 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 for the efficient and regioselective synthesis of indoles and pyrroles. The tandem action of iridium and Brønsted acid catalysts enables rapid assembly of the heterocycles from ...

    • Synthesis, Spectroscopy, Electrochemistry and DFT of Electron-Rich Ferrocenylsubphthalocyanines 

      Conradie, Jeanet; Swarts, Petrus (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-06-01)
      A series of novel ferrocenylsubphthalocyanine dyads Y-BSubPc(H)<sub>12</sub> with ferrocenylcarboxylic acids Y-H = (FcCH<sub>2</sub>CO<sub>2</sub>-H), (Fc(CH<sub>2</sub>)<sub>3</sub>CO<sub>2</sub>-H) or (FcCO(CH<sub>2</sub>)<sub>2</sub>CO<sub>2</sub>-H) in the axial position were synthesized from the parent Cl-BSubPc(H)<sub>12</sub> via an activated triflate-SubPc intermediate. UV/Vis data revealed ...

    • Synthetic analogs of stryphnusin isolated from the marine sponge Stryphnus fortis inhibit acetylcholinesterase with no effect on muscle function or neuromuscular transmission 

      Moodie, Lindon; Zuzek, Monika; Frangez, Robert; Andersen, Jeanette hammer; Hansen, Espen; Olsen, Elisabeth Klungerbo; Cergolj, Marija; Sepcic, Kristina; Hanssen, Kine Østnes; Svenson, Johan (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-11-09)
      The marine secondary metabolite stryphnusin (1) was isolated from the boreal sponge Stryphnus fortis, collected off the Norwegian coast. Given its resemblance to other natural acetylcholinesterase antagonists, it was evaluated against electric eel acetylcholinesterase and displayed inhibitory activity. A library of twelve synthetic phenethylamine analogs, 2a–7a and 2b–7b, containing tertiary and ...

    • Synthetic cationic antimicrobial peptides bind with their hydrophobic parts to drug site II of human serum albumin 

      Sivertsen, Annfrid; Isaksson, Johan; Leiros, Hanna-Kirsti S.; Svenson, Johan; Svendsen, John Sigurd; Brandsdal, Bjørn Olav (Journal article; Tidsskriftartikkel; Peer reviewed, 2014)

    • A Synthetic Route to Quaternary Pyridinium Salt-Functionalized Silsesquioxanes 

      Kostenko, Nataliya; Gottfriedsen, Jochen; Hilfert, Liane; Edelmann, Frank T (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      A synthetic route to potentially biocidal silsesquioxanes functionalized by quaternary pyridinium functionalities has been developed. N-Alkylation reactions of the precursor compounds 4-(2-(trimethoxysilyl)ethyl)-pyridine (5) and 4-(2-trichloro-silylethyl)pyridine (6) with iodomethane, n-hexylbromide, and n-hexadecylbromide cleanly afforded the corresponding N-alkylpyridinium salts (7–10). The ...

    • Tailored Leaching Tests as a Tool for Environmental Management of Mine Tailings Disposal at Sea 

      Pedersen, Kristine B.; Lejon, Tore; Evenset, Anita (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-03-10)
      The expanding human activities in coastal areas increase the need for developing solutions to limit impacts on the marine environment. Sea disposal affects the marine environment, but despite the growing knowledge of potential impacts, there are still no standardized leaching tests for sea disposal. The aim of this study was to contribute to the development of leaching tests, exemplified using ...

    • Temperature adaptation of DNA ligases from psychrophilic organisms 

      Berg, Kristel; Leiros, Ingar; Williamson, Adele Kim (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-03-02)
      DNA ligases operating at low temperatures have potential advantages for use in biotechnological applications. For this reason, we have characterized the temperature optima and thermal stabilities of three minimal Lig E-type ATP-dependent DNA ligase originating from Gram-negative obligate psychrophilic bacteria. The three ligases, denoted Vib-Lig, Psy-Lig, and Par-Lig, show a remarkable range of ...

    • Temporal dynamics of intra-and extra-cellular microcystins concentrations in Koka reservoir (Ethiopia): Implications for public health risk 

      Tilahun, Samson; Kifle, Demeke; Zewde, Tigist W; Johansen, Jostein a; Demissie, Taye Beyene; Hansen, Jørn H (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-06-20)
      This study was carried out with a view of understanding the temporal dynamics of microcystin concentrations in both algal seston and water samples and the associated public health risk. All the major MC variants, namely MC-LR, MC-YR, and MC-RR, were detected in both the algal seston and water samples. In the majority of the samples, the most potent variant, MC-LR, constituted the greatest proportion ...

    • Theoretical Analysis of NMR Shieldings in XSe and XTe (X= Si, Ge, Sn and Pb): The Spin–Rotation Constant Saga 

      Demissie, Taye Beyene (Journal article; Tidsskriftartikkel; Peer reviewed, 2015-12-21)
      The nuclear spin-rotation (NSR) and absolute nuclear magnetic resonance (NMR) shielding tensors of the nuclei in the series of X<sup>77</sup>Se and X<sup>125</sup>Te (X = <sup>29</sup>Si, <sup>73</sup>Ge, <sup>119</sup>Sn and <sup>207</sup>Pb) are calculated using fourcomponent relativistic density functional theory (DFT) and coupled-cluster singles-doubles with a perturbative triples correction ...

    • Theoretical Photoelectron Spectroscopy of Low-Valent Carbon Species: A ∼6 eV Range of Ionization Potentials among Carbenes, Ylides, and Carbodiphosphoranes 

      Ghosh, Abhik; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-12-02)
      High-quality density functional theory calculations underscore a nearly 6 eV range for the ionization potentials (IPs) of neutral, low-valent carbon compounds, including carbenes, ylides, and zero-valent carbon compounds (carbones) such as carbodiphosphoranes (CDPs) and carbodicarbenes. Thus, adiabatic IPs as low as 5.5 ± 0.1 eV are predicted for CDPs, which are about 0.7–1.2 eV lower than those of ...

    • A Theoretical Search for Stable Terminal Carbides 

      Ghosh, Abhik; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-11-20)
      xploratory scalar-relativistic density functional theory (B3LYP*-D3/ZORA-STO-TZ2P) calculations have been used to examine the stability and bonding of pseudotetrahedral Group 8 (Fe, Ru, and Os) and Group 9 (Co, Rh, and Ir) terminal carbide complexes with dδ4 ground states and tripodal tris(N-heterocyclic-carbene) supporting ligands. The calculations predict relatively low adiabatic ionization ...

    • A thermally stable {FeNO}(8) complex: properties and biological reactivity of reduced MNO systems 

      Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. (Journal article; Tidsskriftartikkel; Peer reviewed, 2012-10-06)
      Reduced nitrogen oxide ligands such as NO<sup>−</sup>/HNO or nitroxyl participate in chemistry distinct from nitric oxide (NO). Nitroxyl has been proposed to form at heme centers to generate the Enemark–Feltham designated {FeNO}<sup>8</sup> system. The synthesis of a thermally stable {FeNO}<sup>8</sup> species namely, [Co(Cp<sup>*</sup>)<sub>2</sub>][Fe(LN<sub>4</sub>)(NO)] (3), housed in a heme-like ...

    • ThermoSlope: A Software for Determining Thermodynamic Parameters from Single Steady-State Experiments 

      Lund, Bjarte Aarmo; Brandsdal, Bjørn Olav (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-11-26)
      The determination of the temperature dependence of enzyme catalysis has traditionally been a labourious undertaking. We have developed a new approach to the classical Arrhenius parameter estimation by fitting the change in velocity under a gradual change in temperature. The evaluation with a simulated dataset shows that the approach is valid. The approach is demonstrated as a useful tool by ...

    • The three Endonuclease III variants of Deinococcus radiodurans possess distinct and complementary DNA repair activities 

      Sarre, Aili; Stelter, Meike; Rollo, Filipe; De Bonis, Salvatore; Seck, Anna; Hognon, Cecilia; Ravanat, Jean-Luc; Monari, Antonio; Dehez, Francois; Moe, Elin; Timmins, Joanna (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-03-28)
      Endonuclease III (EndoIII) is a bifunctional DNA glycosylase that removes oxidized pyrimidines from DNA. The genome of Deinococcus radiodurans encodes for an unusually high number of DNA glycosylases, including three EndoIII enzymes (drEndoIII1-3). Here, we compare the properties of these enzymes to those of their well-studied homologues from E. coli and human. Our biochemical and mutational data, ...

    • To Bind or Not to Bind: Mechanistic Insights into C–CO2 Bond Formation with Late Transition Metals 

      García-López, Diego; Pavlovic, Ljiljana; Hopmann, Kathrin Helen (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-04-03)
      In transition metal-mediated carboxylation reactions, CO<sub>2</sub> inserts into a metal–nucleophile bond. At the carboxylation transition state (TS), CO<sub>2</sub> may interact with the metal (<i>inner</i>-sphere path) or may insert without being activated by the metal (<i>outer</i>-sphere path). Currently, there is no consensus as to which path prevails. In order to establish general predictions ...