Viser treff 139-158 av 525

    • Description of the uEMEP_v5 downscaling approach for the EMEP MSC-W chemistry transport model 

      Denby, Bruce; Gauss, Michael; Wind, Peter; Mu, Qing; Wærsted, Eivind Grøtting; Fagerli, Hilde; Valdebenito Bustamante, Alvaro Moises; Klein, Heiko (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-12-11)
      A description of the new air quality downscaling model – the urban EMEP (uEMEP) and its combination with the EMEP MSC-W model (European Monitoring and Evaluation Programme Meteorological Synthesising Centre West) – is presented. uEMEP is based on well-known Gaussian modelling principles. The uniqueness of the system is in its combination with the EMEP MSC-W model and the “local fraction” calculation ...
    • Design and Biological Evaluation of Antifouling Dihydrostilbene Oxime Hybrids 

      Moodie, Lindon W. K.; Cervin, Gunnar; Trepos, Rozenn; Labriere, Christophe; Hellio, Claire; Pavia, Henrik; Svenson, Johan (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-03-13)
      By combining the recently reported repelling natural dihydrostilbene scaffold with an oxime moiety found in many marine antifoulants, a library of nine antifouling hybrid compounds was developed and biologically evaluated. The prepared compounds were shown to display a low antifouling effect against marine bacteria but a high potency against the attachment and growth of microalgae down to MIC ...
    • Development of potent cholinesterase inhibitors based on a marine pharmacophore 

      Elumalai, Vijayaragavan; Trobec, Tomaz; Grundner, Maja; Labriere, Christophe; Frangez, Robert; Sepcic, Kristina; Hansen, Jørn H; Svensson, Johan (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-07-01)
      The management of neurological disorders such as dementia associated with Alzheimer's or Parkinson's disease includes the use of cholinesterase inhibitors. These compounds can slow down the progression of these diseases and can also be used in the treatment of glaucoma and myasthenia gravis. The majority of the cholinesterase inhibitors used in the clinic are derived from natural products and our ...
    • DFT studies of the redox behavior of oligo(aza)pyridines and experimental CVs of 4′-substituted terpyridines 

      Mateyise, Nandisiwe Ghandi Sibongile; Conradie, Marrigje M.; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-11-17)
      The cyclic voltammograms of a series of substituted terpyridine ligands are presented, showing that reduction occur generally below −2 V versus the redox potential of ferrocene. Density functional theory (DFT) calculated energies and the theoretically calculated reduction potentials of a large series of substituted oligo(aza)pyridine ligands (terpyridine, bipyridine and phenanthroline) are determined ...
    • Diagrammatic Coupled Cluster Monte Carlo 

      Scott, Charles J. C.; Di Remigio, Roberto; Crawford, T. Daniel; Thom, Alex J. W. (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-02-09)
      We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker–Campbell–Hausdorff expansion of the similarity-transformed Hamiltonian by construction of coupled cluster diagrams on the fly. Our new approach—diagCCMC—allows propagation to be performed using only the connected components of the similarity-transformed Hamiltonian, ...
    • Differential Evolution-Based Weighted Combination of Distance Metrics for k-means Clustering 

      Muhammad Fuad, Muhammad Marwan (Journal article; Tidsskriftartikkel; Peer reviewed, 2014)
    • Differential expression profiling of ΔlitR and ΔrpoQ mutants reveals insight into QS regulation of motility, adhesion and biofilm formation in Aliivibrio salmonicida 

      Khider, Miriam; Hjerde, Erik; Hansen, Hilde; Willassen, Nils Peder (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-03-15)
      <i>Background</i>: The coordination of group behaviors in bacteria is achieved by a cell-cell signaling process called quorum sensing (QS). QS is an intercellular communication system, which synchronously controls expression of a vast range of genes in response to changes in cell density and is mediated by autoinducers that act as extracellular signals. <i>Aliivibrio salmonicida</i>, the causative ...
    • A Dihydride Mechanism Can Explain the Intriguing Substrate Selectivity of Iron-PNP-Mediated Hydrogenation 

      Hopmann, Kathrin Helen; Morello, Glenn Robert (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-07-24)
      Iron-PNP pincer complexes are efficient catalysts for the hydrogenation of aldehydes and ketones. A variety of hydrogenation mechanisms have been proposed for these systems, but there appears to be no clear consensus on a preferred pathway. We have employed high-level quantum chemical calculations to evaluate various mechanistic possibilities for iron-PNP catalysts containing either CH2, NCH3, ...
    • Dimethylsulfoxide (DMSO) Clusters Dataset: DFT Relative Energies, Non-Covalent Interactions, and Cartesian Coordinates 

      Malloum, Alhadji; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-03-07)
      Theoretical understanding of dimethylsulfoxide (DMSO) liquid depends on the understanding of the DMSO clusters. In this work, we provide the structures and the energetics of the DMSO clusters. The structures have been generated using ABCluster and further optimized at the MP2/aug-ccpVDZ level of theory. The final structures have been optimized at two different levels of theory: PW6B95D3/aug-ccpVDZ ...
    • Discovery and characterization of a thermostable two-domain GH6 endoglucanase from a compost metagenome 

      Jensen, Marianne Slang; Fredriksen, Lasse; Mackenzie, Alasdair; Pope, Phillip; Leiros, Ingar; Chylenski, Piotr; Williamson, Adele Kim; Christopeit, Tony; Østby, Heidi; Vaaje-Kolstad, Gustav; Eijsink, Vincent (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-05-24)
      Enzymatic depolymerization of recalcitrant polysaccharides plays a key role in accessing the renewable energy stored within lignocellulosic biomass, and natural biodiversities may be explored to discover microbial enzymes that have evolved to conquer this task in various environments. Here, a metagenome from a thermophilic microbial community was mined to yield a novel, thermostable cellulase, named ...
    • Discovery of Novel Inhibitor Scaffolds against the Metallo-beta-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening 

      Christopeit, Tony; Carlsen, Trine Josefine Olsen; Helland, Ronny; Leiros, Hanna-Kirsti S. (Journal article; Tidsskriftartikkel; Peer reviewed, 2015-10-17)
      Metallo-β-lactamase (MBL) inhibitors can restore the function of carbapenem antibiotics and therefore help to treat infections of antibiotic resistant bacteria. In this study, we report novel fragments inhibiting the clinically relevant MBL Verona integron-encoded metallo-β-lactamase (VIM-2). The fragments were identified from a library of 490 fragments using an orthogonal screening approach based ...
    • Distribution of siderophore gene systems on a Vibrionaceae phylogeny: Database searches, phylogenetic analyses and evolutionary perspectives 

      Thode, Sunniva Katharina; Rojek, Ewelina; Kozlowski, Mikolaj; Ahmad, Rafi; Haugen, Peik (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-02-14)
      Siderophores are small molecules synthesized and secreted by bacteria and fungi to scavenge iron. Extracellular ferri-siderohores are recognized by cognate receptors on the cell surface for transport over membranes. Several siderophore systems from <i>Vibrionaceae</i> representatives are known and well understood, e.g., the molecular structure of the siderophore, the biosynthesis gene cluster ...
    • DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases 

      Williamson, Adele Kim; Grgic, Miriam; Leiros, Hanna-Kirsti S. (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-07-11)
      DNA ligases join breaks in the phosphodiester backbone of DNA by catalysing the formation of bonds between opposing 5′P and 3′OH ends in an adenylation-dependent manner. Catalysis is accompanied by reorientation of two core domains to provide access to the active site for cofactor utilization and enable substrate binding and product release. The general paradigm is that DNA ligases engage their DNA ...
    • The Dog That Didn't Bark: A New Interpretation of Hypsoporphyrin Spectra and the Question of Hypsocorroles 

      Ghosh, Abhik; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-11-11)
      Nearly a half-century after Gouterman classified the UV–vis–NIR spectra of porphyrin derivatives as normal, hyper, or hypso, we propose a heretofore unsuspected “mechanism” underlying hypso spectra. Hypsoporphyrins, which exhibit blueshifted optical spectra relative to normal porphyrins (such as Zn porphyrins), typically involve dn transition metal ions, where n > 6. The spectral blueshifts have ...
    • 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 remission. However, a significant fraction of patients develop resistance, commonly due to mutated ABL1 kinase domains. This motivated development of second-generation drugs ...
    • 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 ...
    • Effect of donor–acceptor orientation on solvent-dependent three-photon activity in through-space charge-transfer systems – case study of [2,2]-paracyclophane derivatives 

      Alam, MD Mehboob; Chattopadhyaya, Mausumi; Chakrabarti, Swapan; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2013)
      We study the effect of donor–acceptor orientation on solvent-dependent three-photon transition probabilities (δ3PA) of representative through-space charge-transfer (TSCT) systems, namely, doubly positively charged [2,2]-paracyclophane derivatives. Our cubic response calculations reveal that the value of δ3PA may be as high as 106 a.u., which can further be increased by a specific orientation of the ...
    • Effects of fecal microbiota transplantation in subjects with irritable bowel syndrome are mirrored by changes in gut microbiome 

      Goll, Rasmus; Johnsen, Peter Holger; Hjerde, Erik; Diab, Joseph; Valle, Per Christian; Hilpüsch, Frank; Cavanagh, Jorunn Pauline (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-09-29)
      Irritable bowel syndrome (IBS) is a common disorder of the lower gastrointestinal tract. The pathophysiology is far from settled, but a gut microbial dysbiosis is hypothesized to be a contributing factor. We earlier published a randomized double-blind placebo-controlled clinical trial on fecal microbiota transplantation (FMT) for IBS – the REFIT trial. The present data set describes the engraftment ...
    • Effektive læringsstrategier: Innsikter, implementering og tverrfaglig erfaringsutveksling 

      Beerepoot, Maarten (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-11-18)
      Forskning på læring viser tydelig at noen læringsstrategier er mer effektive enn andre. To spesielt effektive læringsstrategier er å hente fram fra hukommelsen gjennom for eksempel testing (retrieval practice) og fordeling av læringen over en lengre periode med jevne mellomrom (distributed practice). Forskning viser imidlertid også at studenter i liten grad er bevisste på hva som er mest effektiv ...
    • Efficient palladium-catalyzed electrocarboxylation enables late-stage carbon isotope labelling 

      Batista, Gabriel M. F.; Ebenbauer, Ruth; Day, Craig S.; Bergare, Jonas; Neumann, Karoline; Hopmann, Kathrin Helen; Elmore, Charles; Rosas-Hernandez, Alonso; Skrydstrup, Troels (Journal article; Tidsskriftartikkel; Peer reviewed, 2024-03-22)
      Carbon isotope labelling of bioactive molecules is essential for accessing the pharmacokinetic and pharmacodynamic properties of new drug entities. Aryl carboxylic acids represent an important class of structural motifs ubiquitous in pharmaceutically active molecules and are ideal targets for the installation of a radioactive tag employing isotopically labelled CO<sub>2</sub>. However, direct isotope ...