Blar i Department of Chemistry på tittel
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Computational methods and tools to predict cytochrome P450 metabolism for drug discovery
(Peer reviewed; Journal article, 2019)In this review, we present important, recent developments in the computational prediction of cytochrome P450 (CYP) metabolism in the context of drug discovery. We discuss in silico models for the various aspects of CYP ... -
Conformator: A Novel Method for the Generation of Conformer Ensembles
(Journal article; Peer reviewed, 2019)Computer-aided drug design methods such as docking, pharmacophore searching, 3D database searching, and the creation of 3D-QSAR models need conformational ensembles to handle the flexibility of small molecules. Here, we ... -
Conjugated ynones in organic synthesis
(Journal article; Peer reviewed, 2019)This review article will consider the preparation and application of ynones in synthetic organic chemistry. Concerning the preparation of these bifunctional compounds, several methodologies starting from propargyl alcohols, ... -
The Consistency of Yields and Chemical Composition of HTL Bio-Oils from Lignins Produced by Different Preprocessing Technologies
(Journal article; Peer reviewed, 2022-06-27)This work evaluates the effect of feedstock type and composition on the conversion of lignin to liquid by solvolysis with formic acid as hydrogen donor (LtL), by analyzing the yields and molecular composition of the liquid ... -
Cross-sectional and prospective associations between aerobic fitness and lipoprotein particle profile in a cohort of Norwegian schoolchildren
(Journal article; Peer reviewed, 2021)Background and aims The associations between aerobic fitness and traditional measures of lipid metabolism in children are uncertain. We investigated whether higher levels of aerobic fitness benefit lipoprotein metabolism ... -
Crude oil components with affinity for gas hydrates in petroleum production
(Doctoral thesis, 2007-06-28)Some crude oils are believed to contain natural inhibiting components that can prevent hydrate plugging of oil pipelines in petroleum production. A method for classification of the oils that form hydrate plugs, as opposed ... -
Crude oil exposures reveal roles for intracellular calcium cycling in haddock craniofacial and cardiac development
(Peer reviewed; Journal article, 2016-08-10)Recent studies have shown that crude oil exposure affects cardiac development in fish by disrupting excitation-contraction (EC) coupling. We previously found that eggs of Atlantic haddock (Melanogrammus aeglefinus) bind ... -
Cyclopentane Hydrate for Hydrate Wetting Studies
(Master thesis, 2013-06-03)Abstract Gas hydrates are often found in the systems for production of petroleum, natural gas and water systems, which is highly undesirable. In some systems the hydrates can form rapidly into large plugs and agglomerate ... -
Cytotoxic Natural Products Isolated from Cryptogramma crispa (L.) R. Br.
(Journal article; Peer reviewed, 2023)Parsley fern, Cryptogramma crispa, is a common fern in arctic–alpine regions, and even though this species has been known since ancient times and has been presumed to cause the poisoning of horses, its natural products ... -
Cytotoxic saponins and other natural products from flowering tops of Narthecium ossifragum L
(Peer reviewed; Journal article, 2019)For more than four centuries, the intake of Narthecium ossifragum has been associated with poisoning in domesticated animals. Saponins occurring in flowering tops of the plant are considered to cause kidney damage in calves. ... -
C–H-Bond Activation and Isoprene Polymerization Studies Applying Pentamethylcyclopentadienyl-Supported Rare-Earth-Metal Bis(Tetramethylaluminate) and Dimethyl Complexes
(Peer reviewed; Journal article, 2019)As previously shown for lutetium and yttrium, 1,2,3,4,5-pentamethylcyclopentadienyl (C5Me5 = Cp*)-bearing rare-earth metal dimethyl half-sandwich complexes [Cp*LnMe2]3 are now also accessible for holmium, dysprosium, and ... -
Data on pigments and long-chain fatty compounds identified in Dietzia sp. A14101 grown on simple and complex hydrocarbons
(Peer reviewed; Journal article, 2015-09)This data article provides: 1. An overview of tentatively identified long chain compounds in Dietzia sp. A14101 grown on simple and complex hydrocarbons; 2. Preliminary Identification of pigments in bacterial material ... -
Deep-learning based reconstruction of dynamic non-Cartesian fMRI: Application to silent imaging
(Master thesis, 2023-06-02) -
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules
(Journal article; Peer reviewed, 2019)A general-purpose software package, termed DE Novo OPTimization of In/organic Molecules (DENOPTIM), for de novo design and virtual screening of functional molecules is described. Molecules of any element and kind, including ... -
Design and Synthesis of Ruthenium based Olefin Metathesis Catalysts
(Master thesis, 2010-06-01)The present Master thesis seeks to develop new unsymmetrical ruthenium-based olefin metathesis catalysts and therein a better understanding of olefin metathesis catalysis with unsymmetrical active complexes. Such catalysts ... -
Design and synthesis of the Gilteritinib-Thalidomide PROTAC-like bifunctional molecule
(Master thesis, 2023-06-03) -
Design of iron(ii) spin-crossover compounds using de novo artificial evolution with fitness-function based on DommiMOE's implementation of LFMM
(Master thesis, 2015-06-01)This is a software development adding DommiMOE as a fitness-provider to the de novo artificial intelligence internally called Denoptim. The software supports stochastic conformational search, molecular dynamics, geometry ... -
Design, synthesis, and biological evaluation of scaffold-based tripeptidomimetic antagonists for CXC chemokine receptor 4 (CXCR4)
(Journal article, 2014)Structure–activity relationship studies of the cyclopentapeptide CXCR4 antagonists (cyclo(-l-/d-Arg1-Arg2-2-Nal3-Gly4-d-Tyr5-)) suggest that the l-/d-Arg1-Arg2-2-Nal3 tripeptide sequence contained within these cyclopentapeptides ... -
Desorption of sulfamethoxazole from polyamide 6 microplastics: Environmental factors, simulated gastrointestinal fluids, and desorption mechanisms
(Journal article; Peer reviewed, 2023)Microplastics (MPs) can enrich pollutants after being released into the environment, and the contaminants-loaded MPs are usually ingested by organisms, resulting in a potential dual biotoxic effect. In this paper, the ...