Viser treff 360-379 av 528

    • Phase transfer catalyzed conjugate addition-initiated ring-closure (CAIRC) reactions with 2-bromo-2-cyclopentenones 

      Yirsaw, Alemayehu Mekonnen; carlson, Rolf (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-05-07)
      When 2-bromo-2-cyclopentenone is treated with various carbon nucleophiles containing active methylenes, it undergoes a conjugate addition initiated-ring closure (CAIRC) reaction. This leads to the formation of carboand heterocyclic compounds in a regioselective fashion with good to high yield. Several bases and phase transfer catalysts were investigated. CsF-Si(OEt)4 as base together with ...
    • Phenol- and resorcinol-appended metallocorroles and their derivatization with fluorous tags 

      Alemayehu, Abraham; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-11-10)
      Boron tribromide-mediated demethylation of rhenium-oxo and gold meso-tris(4-methoxyphenyl)corrole and meso-tris(3,5-dimethoxyphenylcorrole), M[TpOMePC] and M[T(3,5-OMe)PC] (M = ReO, Au), have yielded the corresponding phenol- and resorcinol-appended metallocorroles, M[TpOHPC] and M[T(3,5-OH)PC], in good yields. The latter compounds proved insoluble in dichloromethane and chloroform but soluble in ...
    • Phidianidine A and Synthetic Analogues as Naturally Inspired Marine Antifoulants 

      Labriere, Christophe; Elumalai, Vijayaragavan; Staffansson, Jannie; Cervin, Gunnar; Le Norcy, Tiffany; Denardou, Hugo; Réhel, Karine; Moodie, Lindon W. K.; Hellio, Claire; Pavia, Henrik; Hansen, Jørn H; Svenson, Johan (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-10-15)
      Stationary and slow-moving marine organisms regularly employ a natural product chemical defense to prevent being colonized by marine micro- and macroorganisms. While these natural antifoulants can be structurally diverse, they often display highly conserved chemistries and physicochemical properties, suggesting a natural marine antifouling pharmacophore. In our current report, we investigate the ...
    • Photo-transformation trajectories of Nitro-Spiropyran in Hybrid Compounds with [60]Fullerene 

      Pomogaev, Valdimir A; Avramov, Pavel V; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-07-12)
      Photo- and thermo- isomerization trajectories of various conversion pathways between nitro-spiropyran and its <i>trans–trans–cis</i> merocyanine form were produced and the role of nπ* states was investigated along the corresponding potential energy surface calculated using the ωB97XD functional and the cc-pVDZ basis set. The nondissociative nπ* states on the photoisomerization trajectories can switch ...
    • Photophysics of uracil: an explicit time-dependent generating function-based method combining both nonadiabatic and spin-orbit coupling effects 

      Karak, Pijush; Moitra, Torsha; Ruud, Kenneth; Chakrabarti, Swapan (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-02-14)
      We present a composite framework for calculating the rates of non-radiative deactivation processes, namely internal conversion (IC) and intersystem crossing (ISC), on an equal footing by explicitly computing the non-adiabatic coupling (NAC) and spin–orbit coupling (SOC) constants, respectively. The stationary-state approach uses a time-dependent generating function based on Fermi's golden rule. We ...
    • Phylogenetic Revision of the Genus Aliivibrio: Intra- and Inter-Species Variance Among Clusters Suggest a Wider Diversity of Species 

      Klemetsen, Terje; Karlsen, Christian René; Willassen, Nils Peder (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-02-18)
      Genus Aliivibrio is known to harbor species exhibiting bioluminescence as well as pathogenic behavior affecting the fish farming industry. Current phylogenetic understanding of Aliivibrio has largely remained dormant after reclassification disentangled it from the Vibrio genus in 2007. There is growing evidence of wider diversity, but until now the lack of genomes and selective use of type strains ...
    • Platinum Corroles 

      Alemayehu, Abraham; Vazquez-Lima, Hugo; Beavers, Christine M.; Gagnon, Kevin J.; Bendix, Jesper; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2014-06-09)
      Platinum has been inserted into corroles for the first time and three oxidized PtIV(corrole2)ArAr0 complexes have been structurally characterized. The Soret maxima of these complexes exhibit an unusually strong dependence on the meso-aryl substituents on the corrole, indicating aryl - corrole2 charge transfer character in these transitions.
    • Platinum corroles 

      Alemayehu, Abraham; Lima, Hugo Vazquez; Beavers, Christine M.; Gagnon, Kevin J.; Bendix, Jesper; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2014-06-09)
      Platinum has been inserted into corroles for the first time and three oxidized Pt<sup>IV</sup>(corrole<sup>2-</sup>)ArAr0 complexes have been structurally characterized. The Soret maxima of these complexes exhibit an unusually strong dependence on the meso-aryl substituents on the corrole, indicating aryl - corrole<sup>2-</sup> charge transfer character in these transitions.
    • A polarizable continuum model for molecules at spherical diffuse interfaces 

      Di Remigio, Roberto; Mozgawa, Krzysztof; Cao, Hui; Weijo, Ville; Frediani, Luca (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-03-22)
      We present an extension of the Polarizable Continuum Model (PCM) to simulate solvent effects at diffuse interfaces with spherical symmetry, such as nanodroplets and micelles. We derive the form of the Green’s function for a spatially varying dielectric permittivity with spherical symmetry and exploit the integral equation formalism of the PCM for general dielectric environments to recast the solvation ...
    • Polarizable Density Embedding for Large Biomolecular Systems 

      Reinholdt, Peter; Jørgensen, Frederik Kamper; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-09-29)
      We present an efficient and robust fragment-based quantum–classical embedding model capable of accurately capturing effects from complex environments such as proteins and nucleic acids. This is realized by combining the molecular fractionation with conjugate caps (MFCC) procedure with the polarizable density embedding (PDE) model at the level of Fock matrix construction. The PDE contributions to the ...
    • A Polymer Magician: Professor Charlotte K. Williams 

      Hopmann, Kathrin Helen (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-08-28)
      At Organometallics, the Editorial Team has been highlighting a number of scientists that we feel have had a profound impact on the field and perhaps also on ourselves. In this editorial, I wish to introduce another of our Pioneers and Influencers, Professor Charlotte K. Williams from Oxford University. Professor Williams works on three things I love: homogeneous metal catalysts, carbon dioxide, and ...
    • Porphyryne 

      Ghosh, Abhik; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-10-25)
      Density functional theory calculations with the B3LYP*-D3 method with large STO-QZ4P basis sets unambiguously predict a singlet ground state for Zn-porphyryne. However, the calculations also predict a low singlet–triplet gap of about 0.4 eV and a high adiabatic electron affinity of 2.4 eV. Accordingly, the reactivity of porphyryne species may be dominated by electron transfer, hydrogen abstraction, ...
    • Potassium [(1S )-1-azido-2-phenylethyl]trifluoridoborate 

      Lejon, Tore; Gorovoy, Alexey Sergeevich; Khrustalev, Victor N. (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      The title compound, K+·C8H8BF3N3-, is a salt containing the chiral organic trifluoridoborate anion. The organic anions and potassium cations are tightly bound to each other by the coordination K-F [2.654 (3)-3.102 (3) Å] and K-N [2.951 (4)-3.338 (4) Å] interactions. Thus, the potassium cation adopts a nine-vertex coordination polyhedron, which can be described as a distorted monocapped tetragonal ...
    • A Pre-initialization Stage of Population-Based Bio-inspired Metaheuristics for Handling Expensive Optimization Problems 

      Muhammad Fuad, Muhammad Marwan (Journal article; Tidsskriftartikkel; Peer reviewed, 2013)
      Metaheuristics are probabilistic optimization algorithms which are applicable to a wide range of optimization problems. Bio-inspired, also called nature-inspired, optimization algorithms are the most widely-known metaheuristics. The general scheme of bio-inspired algorithms consists in an initial stage of randomly generated solutions which evolve through search operations, for several generations, ...
    • Predicting liquid loss of frozen and thawed cod from hyperspectral imaging 

      Anderssen, Kathryn Elizabeth; Stormo, Svein Kristian; Skåra, Torstein; Skjelvareid, Martin Hansen; Heia, Karsten (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-08-20)
      As the ability to appraise the quality of every fish in a delivery in a consistent, objective, and rapid manner has numerous advantages for both sellers and buyers, there has been much research into methods to achieve this. One possible proxy for quality assessment is liquid loss, which correlates with undesirable sensory attributes. This study evaluated whether hyperspectral imaging could predict ...
    • Preparation of a Compound with a SiII−SiIV−SiII Bonding Arrangement 

      Kushvaha, Saroj Kumar; Kallenbach, Paula; Gorantla, Sai Manoj N. V. T.; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W. (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-11-07)
      Herein, we report the synthesis of a rare bis-silylene, 1, in which two Si<sup>II</sup>atoms are bridged by a Si<sup>IV</sup> atom. Compound 1 contains an unusual Si<sup>II</sup> SiI<sup>V</sup> Si<sup>II</sup> bonding arrangement with Si<sup>II</sup> Si<sup>IV</sup> bond distances of 2.4212(8) and 2.4157(7) Å. Treatment of 1 with Fe(CO)<sub>5</sub> afforded a dinuclear Fe<sup>0</sup>S complex 2 ...
    • 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. ...
    • Preventing E. coli Biofilm Formation with Antimicrobial Peptide-Functionalized Surface Coatings: Recognizing the Dependence on the Bacterial Binding Mode Using Live-Cell Microscopy 

      Hansson, Adam; Karlsen, Eskil André; Stensen, Wenche Gunvor B; Svendsen, John Sigurd Mjøen; Berglin, Mattias; Lundgren, Anders (Journal article; Tidsskriftartikkel; Peer reviewed, 2024-01-31)
      Antimicrobial peptides (AMPs) can kill bacteria by destabilizing their membranes, yet translating these molecules’ properties into a covalently attached antibacterial coating is challenging. Rational design efforts are obstructed by the fact that standard microbiology methods are ill-designed for the evaluation of coatings, disclosing few details about why grafted AMPs function or do not ...
    • Prevention of Marine Biofouling Using the Natural Allelopathic Compound Batatasin-III and Synthetic Analogues 

      Moodie, Lindon; Trepos, Rozenn; Cervin, Gunnar; Bråthen, Kari Anne; Lindgård, Bente; Reiersen, Rigmor; Cahill, Patrick; Pavia, Henrik; Hellio, Claire; Svenson, Johan (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-06-21)
      The current study reports the first comprehensive evaluation of a class of allelopathic terrestrial natural products as antifoulants in a marine setting. To investigate the antifouling potential of the natural dihydrostilbene scaffold, a library of 22 synthetic dihydrostilbenes with varying substitution patterns, many of which occur naturally in terrestrial plants, were prepared and assessed for ...
    • Promising Nanocarriers to Enhance Solubility and Bioavailability of Cannabidiol for a Plethora of Therapeutic Opportunities 

      Grifoni, Lucia; Vanti, Giulia; Donato, Rosa; Sacco, Cristiana; Bilia, Anna Rita (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-09-17)
      In recent years, the interest in cannabidiol (CBD) has increased because of the lack of psychoactive properties. However, CBD has low solubility and bioavailability, variable pharmacokinetics profiles, poor stability, and a pronounced presystemic metabolism. CBD nanoformulations include nanosuspensions, polymeric micelles and nanoparticles, hybrid nanoparticles jelled in cross-linked chitosan, and ...