Artikler, rapporter og annet (kjemi): Recent submissions
Now showing items 541-560 of 565
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The EMEP MSC-W chemical transport model - technical description
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)The Meteorological Synthesizing Centre-West (MSC-W) of the European Monitoring and Evaluation Programme (EMEP) has been performing model calculations in support of the Convention on Long Range Transboundary Air Pollution (CLRTAP) for more than 30 years. The EMEP MSC-W chemical transport model is still one of the key tools within European air pollution policy assessments. Traditionally, the model ... -
Lipopolysaccharide O-Antigen Prevents Phagocytosis of Vibrio anguillarum by Rainbow Trout (Oncorhynchus mykiss) Skin Epithelial Cells
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)Colonization of host tissues is a first step taken by many pathogens during the initial stages of infection. Despite the impact of bacterial disease on wild and farmed fish, only a few direct studies have characterized bacterial factors required for colonization of fish tissues. In this study, using live-cell and confocal microscopy, rainbow trout skin epithelial cells, the main structural component ... -
A multi-model study of impacts of climate change on surface ozone in Europe
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)The impact of climate change on surface ozone over Europe was studied using four offline regional chemistry transport models (CTMs) and one online regional integrated climate-chemistry model (CCM), driven by the same global projection of future climate under the SRES A1B scenario. Anthropogenic emissions of ozone precursors from RCP4.5 for year 2000 were used for simulations of both present and ... -
Unique core genomes of the bacterial family vibrionaceae: insights into niche adaptation and speciation
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)The criteria for defining bacterial species and even the concept of bacterial species itself are under debate, and the discussion is apparently intensifying as more genome sequence data is becoming available. However, it is still unclear how the new advances in genomics should be used most efficiently to address this question. In this study we identify genes that are common to any group of genomes ... -
Potassium [(1S )-1-azido-2-phenylethyl]trifluoridoborate
(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 ... -
Anomalous dispersion analysis of inhibitor flexibility : a case study of the kinase inhibitor H-89
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)With its ability to show the interactions between drug-target proteins and small-molecule ligands, X-ray crystallography is an essential tool in drug-discovery programmes. However, its usefulness can be limited by crystallization artifacts or by the data resolution, and in particular when assumptions of unimodal binding (and isotropic motion) do not apply. Discrepancies between the modelled crystal ... -
(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-2-phenyl-4,6-methano-1,3,2-benzodioxaborole
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)The molecule of the title compound, C16H21BO2, comprises a chiral fused tricyclic system containing five-membered (1,3,2-dioxaborolane), six-membered (cyclohexane) and four-membered (cyclobutane) rings. The 1,3,2-dioxaborolane ring is almost planar (r.m.s. deviation = 0.035 Å), and the syn H and Me substituents at this ring are in an eclipsed conformation. The cyclohexane and cyclobutane rings adopt ... -
The Methylococcus capsulatus (Bath) secreted protein, MopE*, binds both reduced and oxidized copper.
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)Under copper limiting growth conditions the methanotrophic bacterium Methylococcus capsulatus (Bath) secrets essentially only one protein, MopE*, to the medium. MopE* is a copper-binding protein whose structure has been determined by X-ray crystallography. The structure of MopE* revealed a unique high affinity copper binding site consisting of two histidine imidazoles and one kynurenine, the latter ... -
Expression profiling reveals Spot 42 small RNA as a key regulator in the central metabolism of Aliivibrio salmonicida
(Journal article; Tidsskriftartikkel; Peer reviewed, 2012)Spot 42 was discovered in Escherichia coli nearly 40 years ago as an abundant, small and unstable RNA. Its biological role has remained obscure until recently, and is today implicated in having broader roles in the central and secondary metabolism. Spot 42 is encoded by the spf gene. The gene is ubiquitous in the Vibrionaceae family of gamma-proteobacteria. One member of this family, Aliivibrio ... -
Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals
(Journal article; Tidsskriftartikkel; Peer reviewed, 2011)We present the first relativistic study of the electric-field-gradient induced birefringence (Buckingham birefringence), with application to the series of molecules CX2 (X = O, S, Se, Te). A recently developed atomic-orbital-driven scheme for the calculation of time-dependent molecular properties using one-, two- and four-component relativistic wave functions (Bast et al. in Chem Phys 356:177, 2009) ... -
Ab initio wavefunctions in bioinorganic chemistry : more than a succes d'estime?
(Journal article; Tidsskriftartikkel; Peer reviewed, 2011)Dedicated to the memory of Björn Roos (1937–2010), one of the fathers of modern multiconfigurational quantum chemistry, who also cared deeply about chemical applications, and a fun and inspiring friend to countless theoretically oriented chemists. -
The optical activity of beta, gamma-enones in ground and excited states using circular dichroism and circularly polarized luminescence
(Journal article; Tidsskriftartikkel; Peer reviewed, 2011)The circularly polarized luminescence (CPL) and electronic circular dichroism (CD) spectroscopic parameters corresponding to the n ← π* and n → π* transitions, respectively, have been calculated for selected β,γ-enones using density functional theory. For the smallest β,γ-enone, (1R,4R)-bicyclo[2.2.1]hept-5-en-2-one (norbornenone), coupled-cluster calculations have also been carried out. The ... -
Gauge-origin independent calculations of Jones birefringence
(Journal article; Tidsskriftartikkel; Peer reviewed, 2011)We present the first gauge-origin independent formulation of Jones birefringence at the Hartree–Fock level of theory. Gauge-origin independence is achieved through the use of London atomic orbitals. The implementation is based on a recently proposed atomic orbital-based response theory formulation that allows for the use of both time- and perturbation-dependent basis sets [Thorvaldsen, Ruud, Kristensen, ... -
7-Azathieno[2,3-c] cinnoline
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
2-Chloro-2-phenylethylammonium chloride
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006) -
4-Hydroxybenzamide
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
7-azathieno[3,2-c]cinnoline
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
Methyl 5-nitro-2-(phenylamino)pyridine-4-carboxylate
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006) -
Pyridine-3-carbaldehyde 2-pyridylhydrazone
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
Redetermination of p-ethoxyacetanilide (phenacetin)
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006)