Bioethanol can be considered as one of the best replacements for petrol because of its positive impact on environment and many other advantages. Currently, bioethanol accounts for around 2% of the global road fuels and this is projected to increase to around 10% within the next …
"562" Result
Sort By:
The aim of the work presented in this thesis is to develop computational approaches to the modelling of zinc and copper paddlewheel complexes both in isolation and when incorporated into metal organic frameworks (MOFs). We considered both ‘ab initio’ and empirical force field me…
Carbohydrates have attracted much attention to insert their biological properties into nanostructured materials due to their use for bio-mimetic purposes, their crucial role in bio-recognition processes at molecular level and their functional role in living systems. Glycopolymer…
Gunshot residue (GSR) mixture consists of partially burned particles of propellant and characteristic particles of elements originating from the primer, bullet, propellant and some additives in the propellant. Since Harrison and Gillory [1] drew forensic scientists’ attention to…
This study is concerned with the development and application of electrochemical techniques combined with confocal laser scanning microscopy (CLSM) as a probe of the kinetics of electrochemical and surface reactions at different interfaces. A CLSM set up has been designed which c…
This thesis describes the development of new methods for the synthesis of 1,2- diamines. Chapter one reviews current methods for the synthesis of 1,2- diamines, and their importance in chemistry. Chapter two highlights attempts to synthesise 1,2-diamines using two nitrogen-conta…
This thesis describes the development of an electrochemical scanned probe microscope, SECCM, outlining the need for such a development, by highlighting previous techniques and their limitations. SECCM consists of a double barrel capillary pulled to small dimensions, filled with …
The accurate prediction of protein-drug binding affinities is a major aim of computational drug optimisation and development. A quantitative measure of binding affinity is provided by the free energy of binding, and such calculations typically require extensive configurational s…
Fluorescence is widely used in DNA sequencing and genetic analysis. Novel fluorescence techniques for studying nucleic acids and other biologically important molecules are constantly being developed. In order to provide efficient probes with desired fluorescent properties, new f…
Dimethylsulphoniopropionate (DMSP) is a dimethylated sulphur compound that appears to be produced by most marine algae and is a major component of the marine sulphur cycle. The majority of research to date has focused on the production of DMSP and its major breakdown product, th…
Photocatalytic processes are of widespread interest. Among different types of photocatalytic material TiO2 is the generally considered amongst the best due to its favourable physical and chemical properties. In recent decades, photovoltaic devices have been widely studied to pro…
Enamides are an important class of functional group commonly present in natural products and drug candidates. In particular, enamides and dienamides are common in many anti-parasitic and anti-cancer natural products and pharmaceutical drug leads. The enamide moiety is strictly r…
The perovskites LaSr₂Fe₂SbO₉ and La₂Sr₂Fe₃SbO₁₂ crystallise in P2₁/n space group with Fe³⁺ occupying the two crystallographically distinct six-coordinate sites in a ratio of approximately 1:2. Neutron diffraction data suggest a G-type long-range antiferromagnetism in both materi…
The work described in this thesis concerns the synthesis of novel rotaxanes and pseudorotaxanes as intermediates towards molecular cages. The area of rotaxanes and cage molecules was reviewed and selected examples discussed in detail. Three main strategies to synthesise a fumara…
Research into cocrystals is just a small field within crystallography, though the significant rise of investigation into cocrystals has made it an exciting area of research. This thesis initially introduces the phenomenon of cocrystals, including the design, formation, structure…
Chiral lithium amide bases allow the desymmetrisation of prochiral substrates and the production of enantiomerically enriched products, which are vital for the pharmaceutical industry and the total synthesis of natural products. Chapter 1 gives a brief review of this area and th…
Chapter one reviews the use of acyl radicals and the various functional groups from which they have been derived. The earlier work on the use of dithiocarbamates as a source of acyl radicals has been progressed. Systems with the potential to follow either a 6-exo or competing 7-…
Networks of biomacromolecular interaction form the core of internal cellular logic where a wide range of input signals get analysed and results in a genetically programmed output. This description holds not only for healthy cells but is true also for those virally infected when …
The development of clean, sustainable chemical processes is a key priority towards meeting the growing demand for synthetic functional chemicals, while balancing rapidly depleting natural resources. The selective oxidation (selox) of crotyl alcohol to crotonaldehyde and the sele…