Department of Chemistry
Recent Submissions
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Associations of lipoprotein particle profile and objectively measured physical activity and sedentary time in schoolchildren: a prospective cohort study
(Journal article; Peer reviewed, 2022-01-21)Background: Our understanding of the mechanisms through which physical activity might benefit lipoprotein metabolism is inadequate. Here we characterise the continuous associations between physical activity of different ... -
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 ... -
SuspensionFeeding Benthic Species’ Physiological and Microbiome Response to Salmon Farming and Associated Environmental Changes
(Journal article; Peer reviewed, 2022)Caged salmon farming is increasingly undertaken in water bodies with strong hydrodynamics where hard and mixed substrate habitats are more prevalent. Yet, these structurally complex and heterogeneous habitats support diverse ... -
Selective hydrodeoxygenation of phenolic compounds by oxide-supported iridium nanoparticles
(Master thesis, 2022-06-01)As more focus is placed on renewable energy to combat climate change and to meet the increasing energy demand, research into new energy sources has become more relevant than ever. A promising source of renewable energy as ... -
Fast photodegradation of antibiotics and dyes by anionic surfactant-aided CdS/ZnO nanodispersion
(Journal article; Peer reviewed, 2022)The photocatalytic technology has broad applications in energy and environmental science. In this study, we synthesized a type II heterojunction CdS/ZnO (CSZ) nanodispersion by means of one-pot precipitation. Different ... -
Photodegradable Antimicrobial Agents: Synthesis and Mechanism of Degradation
(Journal article; Peer reviewed, 2022)As a strategy to inactivate antimicrobial agents after use, we designed a range of ethanolamine derivatives where four of them possessed interesting activity. The ethanolamine moiety facilitates photodecomposition, which ... -
Relative Spatial Positions of Tryptophan and Cationic Residues in Helical Membrane-active Peptides Determine Their Cytotoxicity
(Journal article; Peer reviewed, 2012)The cytotoxic activity of 10 analogs of the idealized amphipathic helical 21-mer peptide (KAAKKAA)3, where three of the Ala residues at different positions have been replaced with Trp residues, has been investigated. The ... -
Application of Antisolvent Precipitation Method for Formulating Excipient-Free Nanoparticles of Psychotropic Drugs
(Journal article; Peer reviewed, 2022)The aim of the present study was to systematically examine the effects of variations in the process parameters of the antisolvent precipitation method employed in the preparation of excipient-free pure nanoparticles of ... -
A Scalable High-Yielding and Selective Oxidative Heck Cross-Coupling – A Key Step for the Synthesis of trans- Stilbenes
(Journal article; Peer reviewed, 2021)A selective oxidative Heck cross-coupling method was developed and optimized as a pivotal step for a synthetic route leading to the trans-stilbene framework. The developed method and synthesis were needed in a SAR study ... -
Short and Modular Synthesis of Substituted 2‑Aminopyrroles
(Journal article; Peer reviewed, 2021)We herein describe a simple and metal-free domino methodology to synthesize 2-aminopyrroles from alkynyl vinyl hydrazides. The domino reaction involves a novel propargylic 3,4-diaza-Cope rearrangement and a tandem ... -
Diels-Alder reactions with 1,1-diethoxybut-3-yn-2-one and some 1,1-diethoxy-5-hydroxyalk-3-yn-2-ones and their acetates
(Journal article; Peer reviewed, 2020) -
Membrane models for molecular simulations of peripheral membrane proteins
(Journal article; Peer reviewed, 2021)Peripheral membrane proteins (PMPs) bind temporarily to the surface of biological membranes. They also exist in a soluble form and their tertiary structure is often known. Yet, their membrane-bound form and their ... -
Bis(Phenolate)-Functionalized N-Heterocyclic Carbene Complexes of Oxo- and Imido-Vanadium(V)
(Journal article; Peer reviewed, 2021)Oxo- and imido-vanadium(V) metal complexes supported by bis(phenolate)-functionalized N-heterocyclic carbene (NHC) ligands were synthesized and structurally identified. In the presence of [(Ph3P=)2N]Cl ([PPN]Cl), saturated ... -
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 ... -
The Impact of Rheology on Viscous Oil Displacement by Polymers Analyzed by Pore-Scale Network Modelling
(Journal article; Peer reviewed, 2021)Several experimental studies have shown significant improvement in heavy oil recovery with polymers displaying different types of rheology, and the effect of rheology has been shown to be important. These experimental ... -
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors
(Journal article; Peer reviewed, 2021)In recent years, a number of machine learning models for the prediction of the skin sensitization potential of small organic molecules have been reported and become available. These models generally perform well within ... -
Routes to High-Performing Ruthenium–Iodide Catalysts for Olefin Metathesis: Ligand Lability Is Key to Efficient Halide Exchange
(Journal article; Peer reviewed, 2021)Clean, high-yielding routes are described to ruthenium–diiodide catalysts that were recently shown to enable high productivity in olefin metathesis. For the second-generation Grubbs and Hoveyda catalysts (GII: RuCl2(H2IM ... -
The Impact of Water on Ru-Catalyzed Olefin Metathesis: Potent Deactivating Effects Even at Low Water Concentrations
(Journal article; Peer reviewed, 2021)Ruthenium catalysts for olefin metathesis are widely viewed as water-tolerant. Evidence is presented, however, that even low concentrations of water cause catalyst decomposition, severely degrading yields. Of 11 catalysts ... -
Cellulose‑g‑tetraethylenepentamine dual‑function imprinted polymers selectively and efectively adsorb and remove 4‑nitrophenol and Cr(VI)
(Journal article; Peer reviewed, 2022)A cellulosic material has been synthesized that could efficiently and selectively adsorb organic and inorganic contaminants from aqueous solutions without interference from competing adsorption sites. Cellulose-graft-tet ... -
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 ...
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