Two projects are involved in this thesis; both of them are about the synthesis and applications of new poly(alkylene sulfide)s. The objective of the first project is the development of new polymeric borane reagents. The goal of second project is to introduce a new strategy for t…
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In today's North Atlantic, warm and salty surface waters are transported northwards from the subtropics, releasing their heat and eventually sinking to form a deep southward-flowing water mass. This process in the meridional-vertical plane is termed the Atlantic Meridional Overt…
This thesis targets the selective oxidation of polynuclear aromatic compounds, which is considered as a preliminary step of upgrading of heavy oils, resids and bitumens to higher value materials in the liquid phase using different catalytic systems. Oxidation studies concentrate…
Surfactant templating provides a facile route to mesoporous materials with tuneable architectures, whilst simultaneously allowing control over complementary macro and micro porosity. The impact of these varying physical properties, on both catalyst synthesis and during catalytic…
CuAu/SiO2 catalysts were prepared in a number of ways, the main route being incipient wetness impregnation, but other methods, like deposition precipitation and high dispersion, were also used. Bimetallic and monometallic catalysts were prepared for this investigation and most w…
Supercritical CO2 has been revealed as a green alternative to conventional organic solvents in several chemical reactions. Supercritical CO2 technology (supercritical anti-solvent (SAS) and gas anti-solvent (GAS) precipitation) have been successfully applied to synthesize materi…
This thesis discusses the synthesis, characterisation, and reactivity studies of a range of new chiral calcium complexes supported by various polydentate N-donor ligands and their suitability as catalysts for intramolecular hydroamination. Chapter One outlines the case for devel…
This thesis presents a new family of single-determinantal ab initio electronic structure models ideal for the black-box computational investigation of molecular phenomena. These theories mimic Variational Coupled Cluster and achieve an approximately fulfilled variational upper b…
This thesis presents several new insights into the behaviour and properties of solid organic inclusion compounds and explores some of the potential applications of these properties. The thesis considers the structural properties, X-ray birefringence and crystal growth of urea an…
Catalyzed oxidation of aromatic hydrocarbons with molecular oxygen has been studied for several decades. For example, toluene can be converted into oxidation products such as benzyl alcohol, benzaldehyde, benzoic acid and benzyl benzoate. At present, the principal industrial pro…
The main objective researched in this thesis involves the selective oxidation of methanol to formaldehyde, using metal phosphate based catalysts. Molybdenum and vanadium phosphate based catalysts have been prepared, thoroughly characterised and tested as active catalysts for the…
Ab initio, density functional (DFT), semi-empirical and force field methods are used to predict non-covalent interactions between peptides and major histocompatibility complex (MHC) class II receptors. Two ab initio methods are shown to be in good agreement for pairwise interact…
The selective oxidations of the bioderived molecules, 1,2-propanediol, 1,3-propanediol and glycerol, were investigated using gold based catalysts. These reactions were carried out in both low pressure glass reactors and high pressure autoclaves. The reaction conditions such as t…
This thesis describes the development of a new microwave-mediated methodology for C–S bond formation and the issues regarding scaling up heterocyclic transformations. Chapter 1 provides an overview on the current understanding of microwave-mediated synthesis and on the use of mi…
The ratios of trace metals to calcium in the calcium carbonate tests of benthic foraminifera have been used as palaeoceanographic proxies for several decades and are now routinely used to reconstruct past climate change on a variety of Cenozoic timescales. Recent research, howev…
Ambient temperature oxidation of carbon monoxide is a vital reaction for life support in enclosed atmospheres such as submarines and spacecraft. This reaction is usually achieved through the use of two classes of catalyst. Firstly, mixed copper and manganese oxides designated ‘H…
The low temperature oxidation of methane, ethane and propane to useful oxygenates in the aqueous phase using neat hydrogen peroxide is explored. High catalytic activity of metal doped zeolite catalysts in the target transformation of C1-C3 alkanes to their corresponding alcohols…
The number of protein structures deposited in the Protein data bank is increasing almost exponentially and among these structures many of the proteins are novel with unknown function. Like Docking, Pharmacophore searching is an In-silico technique which is widely used for drug d…
Abstract During the course of the studies outlined in this thesis, a new approach for the synthesis of the tropane alkaloid, (±)-physoperuvine has been developed using a highly efficient one-pot tandem process which involved the Overman rearrangement and a ring closing metathesi…
Oxidative stress is implicated in the ageing process and age-related diseases. Adual sensor spin trap i was used with electron paramagnetic resonance (EPR)spectroscopy to detect and distinguish between oxygen-centred radicals, carbon centredradicals and redox active metal ions, …