Browsing Department of Chemistry by Title
Now showing items 71-90 of 448
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Chemical Insights from Carbon 1s Photoelectron Spectroscopy and Theoretical Modeling
(Doctoral thesis, 2007-08-31)Inner-shell ionization energies provide local probes of the charge distribution in molecules and of the ability of a molecule to accept charge at specific sites. As such, core-ionization energies are related to and may ... -
Chemical Properties of Alkenes and Alkynes from Carbon 1s Photoelectron Spectroscopy and Theory
(Doctoral thesis, 2013-02-27)The field of electron spectroscopy has evolved extensively the last couple of decades. On one hand, the technology at the synchrotron radiation facilities and of electron analyzers has improved, providing experimental data ... -
Chemical reactivity of methylbenzenes from core-photoelectron spectroscopy and theory
(Master thesis, 2000) -
Chemical studies of cytotoxic natural products from toxic and edible plant sources
(Doctoral thesis, 2024-04-19)Denne doktorgradsavhandlingen fokuserer på isolering og identifikasjon av naturstoffer fra fire utvalgte planter, hvor den cytotoksiske aktiviteten til nyoppdagede og interessante naturstoffer ble testet på blodkreftceller ... -
Chemometric Approaches for the Validation and Optimization of a LC-MS/MS Method for the Analysis of Phenanthrene Metabolites in Atlantic Haddock Embryo
(Master thesis, 2023-04-27)The release of oil and petroleum products into the environment has long been a cause for concern due to its toxic effects on marine species. In particular, the Atlantic haddock has shown enhanced sensitivity towards the ... -
Chlorine as a substituent – from quantum chemistry and photoelectron spectroscopy
(Doctoral thesis, 2015-02-17)The role of chlorine as a substituent upon ionization, protonation and electrophilic addition of HCl has been studied by means of computational chemistry and photoelectron spectroscopy. Gas-phase carbon 1s photoelectron ... -
Chromatographic Fingerprinting and Quality Control of Herbal Medicines: Comparison of two officinal Chinese pharmacopoeia species of Dendrobii based on High-Performance Liquid Chromatography and Chemometric analysis
(Master thesis, 2013-08-29)The fingerprinting quantitative analysis combining similarity evaluation, Principal Component Analysis (PCA) and Partial Least Squares Discriminant Analysis (PLS-DA) is a valid method for classification of herbal medicine ... -
Chromatographic Fingerprinting of Chinese Grape Berries
(Master thesis, 2014-04-14)Chromatographic fingerprints from three varieties of grapes produced in China (Giant Rose, Red Globe and Summer Black), were obtained by gas chromatography coupled with mass spectrometry. These grapes were subjected to ... -
Clathrate hydrate formation in different chemical environments relevant to subsurface CO2 storage
(Master thesis, 2018-09-12)Storing of carbon dioxide (CO2) as hydrates in the formation of the subsurface permafrost and oceanic areas around the world is a new method of carbon capture and storage (CCS). Clathrate hydrates are solids consisting of ... -
Co-Exposure of Phenanthrene and the cyp-Inducer 3-Methylchrysene Leads to Altered Biotransformation and Increased Toxicity in Fish Egg and Larvae
(Journal article; Peer reviewed, 2023)Polycyclic aromatic hydrocarbons (PAHs) have frequently been suspected of governing crude oil toxicity because of similar morphological defects in fish. However, PAH concentrations are often not high enough to explain the ... -
Co-exposure to UV radiation and crude oil increases acute embryotoxicity and sublethal malformations in the early life stages of Atlantic haddock (Melanogrammus aeglefinus)
(Journal article; Peer reviewed, 2023)Crude oil causes severe abnormalities in developing fish. Photomodification of constituents in crude oil increases its toxicity several fold. We report on the effect of crude oil, in combination with ultraviolet (UV) ... -
Comparing the adsorption of methyl orange and malachite green on similar yet distinct polyamide microplastics: Uncovering hydrogen bond interactions
(Journal article; Peer reviewed, 2023)Microplastics (MPs) and dye pollutants are widespread in aquatic environments. Here, the adsorption characteristics of anionic dye methyl orange (MO) and cationic dye malachite green (MG) on polyamide 6 (PA6) and polyamide ... -
A comparison of analytical approaches to investigate associations for accelerometry-derived physical activity spectra with health and developmental outcomes in children
(Journal article; Peer reviewed, 2021)The use of high-resolution physical activity intensity spectra obtained from accelerometry can improve knowledge of associations with health and development beyond the use of traditional summary measures of intensity. The ... -
Comparison of calibration models for rapid prediction of lignin content in lignocellulosic biomass based on infrared and near-infrared spectroscopy
(Journal article; Peer reviewed, 2022)Lignocellulosic biomass has great potential as a renewable energy source due to abundance both as vegetation and in residues from agriculture and forestry. It can be utilized for biofuels and for value-added chemicals and ... -
Competition adsorption of malachite green and rhodamine B on polyethylene and polyvinyl chloride microplastics in aqueous environment
(Journal article; Peer reviewed, 2022)Microplastics (MPs) will cause compound pollution by combining with organic pollutants in the aqueous environment. It is important for environmental protection to study the adsorption mechanism of different MPs for pollutants. ... -
Complete validation according to current international criteria of a confirmatory quantitative method for the determination of nitrofuran metabolites in seafood by liquid chromatography isotope dilution tandem mass spectrometry
(Peer reviewed; Journal article, 2019)Despite the ban of nitrofurans (NFs) for use in food production in many countries in the 1990s, NF metabolites in food are still regularly detected during import control testing. We have developed a confirmatory routine ... -
Composition of Lignin-to-Liquid Solvolysis Oils from Lignin Extracted in a Semi-Continuous Organosolv Process
(Peer reviewed; Journal article, 2017-01-23)The interest and on-going research on utilisation of lignin as feedstock for production of renewable and sustainable aromatics is expanding and shows great potential. This study investigates the applicability of semi-continuously ... -
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
(Journal article; Peer reviewed, 2021-09-06)We report the major conclusions of the online open-access workshop “Computational Applications in Secondary Metabolite Discovery (CAiSMD)” that took place from 08 to 10 March 2021. Invited speakers from academia and industry ... -
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 ...