Browsing Department of Chemistry by Title
Now showing items 104-123 of 458
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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, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection
(Journal article; Peer reviewed, 2024)The EU-OPENSCREEN (EU-OS) European Research Infrastructure Consortium (ERIC) is a multinational, not-for-profit initiative that integrates high-capacity screening platforms and chemistry groups across Europe to facilitate ... -
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 ... -
Development and optimisation of processes for active pharmaceutical ingredients:A modern approach to the synthesis of the potent anti-leukaemia drug -Quinacrine
(Master thesis, 2022-08-15)The extensive testing and approval needed before a new active pharmaceutical can be used in treatments of patients has lead to an increased interest in drug repurposing of older approved drugs as treatments for other ... -
Development and validation of a novel method for serotonin and 5-hydroxyindole-acetic acid determination in plasma using liquid chromatography tandem mass spectrometry
(Master thesis, 2014-05-07)5-Hydroxytryptamine (5-HT) also known as serotonin is a biomarker in gastrointestinal disorder and several other pathological diseases where 5-HT and its metabolite 5-hydroxyindole-acetic acid are implicated. A sensitive ... -
Development of a novel extraction method for the analysis of prostaglandins and leukotrienes in fish liver by using liquid chromatography mass spectrometry
(Master thesis, 2015-09-06)Eicosanoids are the major metabolites of fatty acids and they have pro-inflammatory anti-inflammatory proprieties, their role and production in solid biological tissue is important due to correlation with many kinds of ... -
Development of a solid phase extraction method for evaluating the production of classic and nonclassic eicosanoids in human and fish cells using liquid chromatography tandem mass spectrometry
(Master thesis, 2014-03-14)Eicosanoids are the major metabolites of fatty acids and they are correlated with many kinds of diseases such as Alzheimer's, cancer and cardiovascular diseases. Usually, most of the eicosanoids derived from omega-6 fatty ... -
Development of an extraction method for the analysis of pro-inflammatory prostaglandin-E2 and leukotriene-B4 in human plasma by liquid chromatography tandem mass spectrometry
(Master thesis, 2013-02-21)A simple and rapid method for extracting PGE2 and LTB4 from human plasma and further determination by LC-MS/MS proposed and validated. Extracting solvents, formic acid (10 µL) and acetonitrile (140 µL) were added subsequently ... -
Development of an imaging method for in vivo single-cell tracking under high-noise conditions: a proof of principle
(Journal article; Peer reviewed, 2023)This paper reports the development of a positron imaging method for in vivo single-cell tracking under high-noise conditions. Following biological processes spatially and temporally at a single-cell level in a living ... -
Development of Endothelial Barrier Models for Nanotoxicity Testing
(Master thesis, 2022-02-07)Nanotechnology is a field of both research and innovation that is ever-growing. It Is the study and manipulation of matter at the nanoscale to produce materials and devices with enhanced properties. Industries are spending ... -
Development of Methodology for the Synthesis of Cytotoxic NHC-Ag-Complexes
(Master thesis, 2016-06-02)Recently disclosed silver N-heterocyclic carbene complexes holding 4-alkylated imidazoles have been proved to hold cytotoxic properties. In this work, derivatives of such alkylated imidazoles were synthesised to be complexed ... -
Development of methods based on NIR and Raman spectroscopies together with chemometric tools for the qualitative and quantitative analysis of gasoline
(Master thesis, 2019-09-28)Gasoline quality control is essential for SI engines performance and to reduce environmental impacts by generation of undesirable pollutants. Methods established by the American Society for Test and Materials (ASTM) are ... -
Development of Small Molecules that Post-Transitionally Stabilizes the SMN Protein for the Treatment of Spinal Muscular Atrophy
(Master thesis, 2019-08-31)Spinal Muscular Atrophy is an autosomal recessive neurodegenerative disorder, caused by the lack of SMN genes. Previous work done by Laboratory for Drug Discovery in Neurodegeneration (LDDN) at Brigham and Women’s Hospital ... -
Development, validation and application of in-silico methods to predict the macromolecular targets of small organic compounds
(Doctoral thesis, 2021-12-10)Computational methods to predict the macromolecular targets of small organic drugs and drug-like compounds play a key role in early drug discovery and drug repurposing efforts. These methods are developed by building ...