Viser treff 101-120 av 581

    • Electrophilic Activation of Osmium-Nitrido Corroles: The OsN Triple Bond as a π-Acceptor Metallaligand in a Heterobimetallic OsVIN–PtII Complex 

      Reinholdt, Anders; Alemayehu, Abraham; Gagnon, Kevin J.; Bendix, Jesper; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-03-31)
      Presented herein is a first investigation of the chemical reactivity of osmium-nitrido corroles, which are known for their unusual thermal, chemical, and photochemical stability. Elemental chlorine perchlorinates the β-positions of the triarylcorrole but leaves the OsN unit untouched. The OsN unit is also unaffected by a variety of other electrophilic and nucleophilic reagents. Upon photolysis, ...
    • A concise SAR-analysis of antimicrobial cationic amphipathic barbiturates for an improved activity-toxicity profile 

      Langer, Manuel K; Rahman, Ataur; Dey, Hymonti; Anderssen, Trude; Zilioli, Francesco; Haug, Tor; Blencke, Hans-Matti; Stensvåg, Klara; Strøm, Morten B.; Bayer, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-08-05)
      An amphipathic barbiturate mimic of the marine eusynstyelamides is reported as a promising class of antimicrobial agents. We hereby report a detailed analysis of the structure-activity relationship for cationic amphipathic N,N′ -dialkylated-5,5-disubstituted barbiturates. The influence of various cationic groups, hydrocarbon linkers and lipophilic side chains on the compounds’ antimicrobial potency ...
    • Comparison of 2- and 3-compartment electrodialytic remediation cells for oil polluted soil from northwest Russia 

      Shouli Pour, Fatemeh; Jensen, Pernille Erland; Pedersen, Kristine Bondo; Lejon, Tore (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-04-08)
      Electrodialytic remediation is a method based on electrokinetics, in which an electric field of low intensity increases the availability of pollutants in solid waste materials. The electric field induces processes that mobilise and transport inorganic and organic pollutants. The transport of ions in the electrodialytic cell is controlled by employing ion-exchange membranes, allowing separation of ...
    • Our Cup of Tea: Sustainable Organometallic Chemistry 

      Obligacion, Jennifer V.; Hopmann, Kathrin Helen (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-06-25)
      What makes organometallic chemistry sustainable, or at least could make it more sustainable? A practical concept that allows us to set deliverable sustainability goals is Istvan Horváth’s sustainable definition of sustainability: Resources including energy should be used at a rate at which they are replaced naturally and the generation of waste cannot be faster than the rate of their remediation. ...
    • Structural and biophysical analysis of interactions between cod and human uracil-DNA N-glycosylase (UNG) and UNG inhibitor (Ugi) 

      Assefa, Netsanet Gizaw; Niiranen, Laila; Johnson, Kenneth; Leiros, Hanna-Kirsti S.; Smalås, Arne O.; Willassen, Nils Peder; Moe, Elin (Journal article; Tidsskriftartikkel; Peer reviewed, 2014-07-25)
      Uracil-DNA N-glycosylase from Atlantic cod (cUNG) shows cold-adapted features such as high catalytic efficiency, a low temperature optimum for activity and reduced thermal stability compared with its mesophilic homologue human UNG (hUNG). In order to understand the role of the enzyme–substrate interaction related to the cold-adapted properties, the structure of cUNG in complex with a bacteriophage ...
    • Evolution of β-lactamase-mediated cefiderocol resistance 

      Frøhlich, Christopher; Sørum, Vidar; Tokuriki, Nobuhiko; Johnsen, Pål Jarle; Samuelsen, Ørjan (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-07-11)
      Background: Cefiderocol is a novel siderophore β-lactam with improved hydrolytic stability toward β-lactamases, including carbapenemases, achieved by combining structural moieties of two clinically efficient cephalosporins, ceftazidime and cefepime. Consequently, cefiderocol represents a treatment alternative for infections caused by MDR Gram-negatives.<p> <p>Objectives: To study the role of ...
    • Structure-sensitive marker bands of metallocorroles: A resonance Raman study of manganese and gold corrole derivatives 

      Terner, James; Kolle Ekaney, Thomas; Vazquez Lima, Hugo; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-03-03)
      Soret-excited resonance Raman spectra (λ<sub>ex</sub> 413.1 nm) were acquired for manganese(III) and gold(III) tris(pentafluorophenyl)corrole, each as four different isotopomeric samples: natural abundance, fully pyrrole-<sup>15</sup>N-substituted, fully meso<sup>13</sup>C-substituted, and fully pyrrole-<sup>15</sup>N-meso<sup>13</sup>C-substituted. The spectra were modeled with density functional ...
    • DYRK1a Inhibitor Mediated Rescue of Drosophila Models of Alzheimer’s Disease-Down Syndrome Phenotypes 

      Zhu, Bangfu; Parsons, Tom; Stensen, Wenche Gunvor Berg; Svendsen, John Sigurd Mjøen; Fugelli, Anders; Hodge, James W.L. (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-07-19)
      Alzheimer’s disease (AD) is the most common neurodegenerative disease which is becoming increasingly prevalent due to ageing populations resulting in huge social, economic, and health costs to the community. Despite the pathological processing of genes such as Amyloid Precursor Protein (APP) into Amyloid-β and Microtubule Associated Protein Tau (MAPT) gene, into hyperphosphorylated Tau tangles being ...
    • The unique disulfide linked activation loop of DYRK kinases and possible redox activity control 

      Dyrendalsli, Maja Bele (Master thesis; Mastergradsoppgave, 2022-06-15)
      The cysteine of HCD (C286) in DYRK1A is involved in disulfide bridge formation with a cysteine (C312) in the DFGSSC sequence. The purpose of this project was to investigate how the state of the disulfide bridge would affect enzyme catalytic and ligand binding properties of the protein kinase. A mutant, DYRK1A C312A, was thus designed to eliminate the disulfide bridge. The mutant was expressed and ...
    • Structural and functional studies of Ectoine Synthase from Chromohalobacter salexigens DSM 3043 and Marinobacter sp. CK1 

      Gundesø, Sigurd Eidem (Master thesis; Mastergradsoppgave, 2021-10-15)
      Ectoine is a compatible solute found in many microorganisms adapted to survive in saline and other extreme environments. Here, it aids microorganisms to counter osmotic stress and protect their enzymes. Ectoine exhibit many interesting properties that is potentially commercially exploitable, and it is currently produced and found in several products on the market. While ectoine is produced by ...
    • Computer Simulation of Antimicrobial Agents 

      Haugen, Tonje Reinholdt (Master thesis; Mastergradsoppgave, 2021-10-15)
      The last 18 months has shown the impact a single microorganism can have on society with the SARS-CoV-2 virus. This is not the only global threat on our health, with the World Health Organisation and other government agencies warning against the increase in antimicrobial resistance today. Antimicrobial peptides have been seen as a possible solution, as they are known to fight bacteria as a part of ...
    • 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 ...
    • Cobalt-Catalyzed Asymmetric Hydrogenation of Enamides: Insights into Mechanisms and Solvent Effects 

      Pavlovic, Ljiljana; Mendelsohn, Lauren N.; Zhong, Hongyu; Chirik, Paul J.; Hopmann, Kathrin Helen (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-07-25)
      The mechanistic details of the (<sup>Ph</sup>BPE)Co-catalyzed asymmetric hydrogenation of enamides are investigated using computational and experimental approaches. Four mechanistic possibilities are compared: a direct Co(0)/Co(II) redox path, a metathesis pathway, a nonredox Co(II) mechanism featuring an azametallacycle, and a possible enamide−imine tautomerization pathway. The results indicate ...
    • Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion Batteries 

      Keshavarz, Fatemeh; Kadek, Marius; Barbiellini, Bernardo; Bansil, Arun (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-01-12)
      We discuss the applicability of the naturally occurring compound Ferrous Oxalate Dihydrate (FOD) (FeC2O4·2H2O) as an anode material in Li-ion batteries. Using first-principles modeling, we evaluate the electrochemical activity of FOD and demonstrate how its structural water content affects the intercalation reaction and contributes to its performance. We show that both Li0 and Li+ intercalation in ...
    • Critical Assessment of Metagenome Interpretation: the second round of challenges 

      Meyer, Fernando; Fritz, Adrian; Deng, Zhi-Luo; Koslicki, David; Lesker, Till Robin; Gurevich, Alexey; Robertson, Gary; Alser, Mohammed; Antipov, Dmitry; Beghini, Francesco; Bertrand, Denis; Brito, Jaqueline J.; Brown, C. Titus; Buchmann, Jan; Buluç, Aydin; Chen, Bo; Chikhi, Rayan; Clausen, Philip T. L. C.; Cristian, Alexandru; Dabrowski, Piotr Wojciech; Darling, Aaron E.; Egan, Rob; Eskin, Eleazar; Georganas, Evangelos; Goltsman, Eugene; Gray, Melissa A.; Hansen, Lars Hestbjerg; Hofmeyr, Steven; Huang, Pingqin; Irber, Luiz; Jia, Huijue; Jørgensen, Tue Sparholt; Kieser, Silas D.; Klemetsen, Terje; Kola, Axel; Kolmogorov, Mikhail; Korobeynikov, Anton; Kwan, Jason; LaPierre, Nathan; Lemaitre, Claire; Li, Chenhao; Limasset, Antoine; Malcher-Miranda, Fabio; Mangul, Serghei; Marcelino, Vanessa R.; Marchet, Camille; Marijon, Pierre; Meleshko, Dmitry; Mende, Daniel R.; Milanese, Alessio; Nagarajan, Niranjan; Nissen, Jakob; Nurk, Sergey; Oliker, Leonid; Paoli, Lucas; Peterlongo, Pierre; Piro, Vitor C.; Porter, Jacob S.; Rasmussen, Simon; Rees, Evan R.; Reinert, Knut; Renard, Bernhard; Robertsen, Espen Mikal; Rosen, Gail L.; Ruscheweyh, Hans-Joachim; Sarwal, Varuni; Segata, Nicola; Seiler, Enrico; Shi, Lizhen; Sun, Fengzhu; Sunagawa, Shinichi; Sørensen, Søren Johannes; Thomas, Ashleigh; Tong, Chengxuan; Trajkovski, Mirko; Tremblay, Julien; Uritskiy, Gherman; Vicedomini, Riccardo; Wang, Zhengyang; Wang, Ziye; Wang, Zhong; Warren, Andrew; Willassen, Nils Peder; Yelick, Katherine; You, Ronghui; Zeller, Georg; Zhao, Zhengqiao; Zhu, Shanfeng; Zhu, Jie; Garrido-Oter, Ruben; Gastmeier, Petra; Hacquard, Stephane; Häußler, Susanne; Khaledi, Ariane; Maechler, Friederike; Mesny, Fantin; Radutoiu, Simona; Schulze-Lefert, Paul; Smit, Nathiana; Strowig, Till; Bremges, Andreas; Sczyrba, Alexander; McHardy, Alice Carolyn (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-04-08)
      Evaluating metagenomic software is key for optimizing metagenome interpretation and focus of the Initiative for the Critical Assessment of Metagenome Interpretation (CAMI). The CAMI II challenge engaged the community to assess methods on realistic and complex datasets with long- and short-read sequences, created computationally from around 1,700 new and known genomes, as well as 600 new plasmids ...
    • Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes 

      Fdez. Galván, Ignacio; Brakestad, Anders; Vacher, Morgane (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-01-06)
      Chemiexcitation, the generation of electronic excited states by a thermal reaction initiated on the ground state, is an essential step in chemiluminescence, and it is mediated by the presence of a conical intersection that allows a nonadiabatic transition from ground state to excited state. Conical intersections classified as sloped favor chemiexcitation over ground state relaxation. The chemiexcitation ...
    • Complete analytic anharmonic hyper-Raman scattering spectra 

      Cornaton, Yann; Ringholm, Magnus; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-07-11)
      We present the first computational treatment of the complete second-order vibrational perturbation theory applied to hyper-Raman scattering spectroscopy. The required molecular properties are calculated in a fully analytic manner using a recently developed program [Ringholm, Jonsson and Ruud, J. Comp. Chem., 2014, 35, 622] that utilizes recursive routines. For some of the properties, these ...
    • Presence of acyl-homoserine lactones in 57 members of the Vibrionaceae family 

      Purohit, Amit Anand; Johansen, Jostein a; Hansen, Hilde; Leiros, Hanna-Kirsti S.; Kashulin, Alexander; Karlsen, Christian; Smalås, Arne O.; Haugen, Peik; Willassen, Nils Peder (Journal article; Tidsskriftartikkel; Peer reviewed, 2013-05-31)
      Aims: The aim of this study was to use a sensitive method to screen and quantify 57 Vibrionaceae strains for the production of acyl-homoserine lactones (AHLs) and map the resulting AHL profiles onto a host phylogeny.<p> <p>Methods and Results: We used a high-performance liquid chromatography– tandem mass spectrometry (HPLC-MS/MS) protocol to measure AHLs in spent media after bacterial growth. ...
    • NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor 

      Wieske, Lianne H. E.; Bogaerts, Jonathan; Leding, Albin A. M.; Wilcox, Scott; Rasmussen, Anna Andersson; Leszczak, Kinga; Turunen, Lotta; Herrebout, Wouter A.; Hubert, Madlen; Bayer, Annette; Erdelyi, Mate (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-01-28)
      Carbapenem resistance caused by metallo-β-lactamases is a serious global challenge that, if not tackled efficiently, is expected to lead to millions of deaths in the coming decades. Verona-integron encoded metallo-β-lactamase 2 (VIM-2) is a bacterial enzyme that has been reported from multidrug-resistant nosocomial isolates of Pseudomonas aeruginosa and other Gram-negative pathogens. As it hydrolyzes ...
    • Structure and Mechanism of a Cold-Adapted Bacterial Lipase 

      van der Ent, Florian; Lund, Bjarte Aarmo; Svalberg, Linn; Purg, Miha; Chukwu, Ghislean; Widersten, Mikael; Isaksen, Geir Villy; Brandsdal, Bjørn Olav; Åqvist, Johan Lennart Gösta (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-05-03)
      The structural origin of enzyme cold-adaptation has been the subject of considerable research efforts in recent years. Comparative studies of orthologous mesophilic–psychrophilic enzyme pairs found in nature are an obvious strategy for solving this problem, but they often suffer from relatively low sequence identity of the enzyme pairs. Small bacterial lipases adapted to distinctly different ...