Chemistry thesis and dissertation collection: Recent submissions
Now showing items 1-20 of 2149
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Molecular dynamics based methods for the computation of standard binding free energies and binding selectivity of inhibitors of proteins of pharmaceutical interest
(The University of Edinburgh, 2021-07-31)The field of Computer Aided Drug Design (CADD) has experienced substantial developments over the last few decades thanks to a rapid growth incomputing power. In particular, Molecular Dynamics (MD) simulations and associated ... -
Solution-processable perylene-based hybrid electron acceptors for perovskite solar cells
(The University of Edinburgh, 2021-07-31)Perovskite solar cells (PSC) are devices based on organic-inorganic perovskite-structured semiconductors that convert sunlight directly into electricity. Such solar devices have become a significant competitor in ... -
Development of NMR tools and experiments for the structure elucidation of carbohydrates
(The University of Edinburgh, 2021-07-31)The market for carbohydrates used in pharmaceuticals and personal care products has been steadily increasing over the past few decades. Notable examples of such products - which contain carbohydrates as active ingredients ... -
Alternatives to platinum group metals for catalysis
(The University of Edinburgh, 2021-07-31)Transition metal-catalysed reactions are ubiquitous in chemical processes. Their applications in small-molecule activation are observed across a range of industries however there are issues associated with their use. ... -
Optical coherence tomography imaging of ovarian cancer invasion
(The University of Edinburgh, 2021-07-31)Ovarian cancer is the most lethal gynaecological disease in the developed world. The term ovarian cancer describes a heterogeneous group of tumours that grow in the ovary but are not necessarily of ovarian origin. There ... -
Turning capsule catalysis inside out
(The University of Edinburgh, 2021-07-31)Coordination capsules offer a simple synthetic route to complex structures. These systems can be used to encapsulate a variety of different species, giving them potential uses in biology, as single molecule magnets, ... -
Utilising stimulated raman scattering microscopy to study intracellular distribution of label-free ponatinib in live cells
(The University of Edinburgh, 2021-07-31)Despite advancements in the drug discovery process, drug attrition rate in the late stages of clinical trials still remains high. Better understanding of drug efficacy in the pre-clinical stage would potentially translate ... -
Optical coherence tomography to detect macrophages in atheroma in vivo
(The University of Edinburgh, 2021-07-31)Introduction. Macrophages play a key role in atherosclerotic plaque instability, they engender plaque rupture, leading to thrombosis and myocardial infarction. Their detection in coronary artery plaques would enable ... -
Characterisation of dissolved organic matter in water treatment using ultra-high resolution techniques
(The University of Edinburgh, 2021-07-31)Dissolved Organic Matter (DOM) is an extremely heterogeneous complex mixture, consisting of thousands of chemical species. The composition of DOM greatly influences the potable water production process. Current methods ... -
Evaluating the structure-property relationships of pressure-responsive materials
(The University of Edinburgh, 2021-07-31)The field of material science is continuously working on identifying and designing materials for highly-desired applications, such as for gas separation, energy storage, or as part of electronic or sensory devices. This ... -
Heavier group 13 based frustrated Lewis pairs for catalytic C–H borylation
(The University of Edinburgh, 2021-07-31)Research into catalysis has always been of great interest to both academic researchers and in industry, due to the great utility that catalysts possess. In particular, research into catalysts that are based on more ... -
Effects of high pressure on the electronic spectra and crystal structure of molecular materials
(The University of Edinburgh, 2021-07-31)The fluorescence of solid-state molecular materials is a field of growing research interest, stimulated by technological applications, such as organic light-emitting diodes and optical sensing. Investigation of the ... -
Arene activation and functionalisation by reducing complexes of uranium and iron
(The University of Edinburgh, 2021-07-31)The primary focus of the work described herein concerns the synthesis of uranium complexes and their reactivity towards small-molecules i.e. simple unsaturated kinetically inert compounds. Chapter 4 investigates the ... -
Implementation and impact of isotope depletion for improved protein mass spectrometry
(The University of Edinburgh, 2021-07-31)One of the fundamental challenges of high-resolution mass spectrometry (MS) analysis of protein occurs as the molecular weight increases. This is due to the increased chemical complexity of the protein analyte, as ... -
Imaging extracellular vesicles arising from apoptotic tumour cells for cancer diagnosis and monitoring
(The University of Edinburgh, 2021-07-31)As a large part of all health-related research is focused on cancer, and with several diagnostic and therapeutic procedures continuously emerging, the fact that this disease remains mostly uncured often seems overwhelming. ... -
Development of a novel imaging platform for the detection of apoptotic cells
(The University of Edinburgh, 2021-07-31)In the human body, billions of cells die every day, a cell death that is termed apoptosis. Clearance of these cells is crucial for the maintenance of homeostasis and dysregulation leads to inflammation and cancer. The ... -
Investigating the structure of encapsulin: encapsulated ferritin systems using mass spectrometry and electron microscopy
(The University of Edinburgh, 2020-11-30)Ferritins are ubiquitous proteins used to sequester and store iron in almost all life forms. In classical ferritins, iron is oxidised from Fe(II) to Fe(III) and then stored as a ferrihydrite mineral within a spherical ... -
Exploring biocatalysts for organic synthesis: Mechanism, promiscuity and engineering
(The University of Edinburgh, 2020-11-30)In recent years, enzymes, and their uses as biocatalysts for synthetic organic chemistry, have been positively disrupting the pharmaceutical and chemical industries. With the development of the third wave of biocatalysis ... -
Studies on the excited electronic states of fullerenes
(The University of Edinburgh, 2020-11-30)This work focused on investigating the excited electronic states of fullerenes. Due to their highly symmetric nature and elemental purity, fullerenes are ideal model systems for studying and understanding the excitation ... -
Investigating the recovery of rare earth elements by ionic liquids and bacteria
(The University of Edinburgh, 2020-11-30)The work presented in this thesis focuses on developing and understanding practices and reagents that can be more efficient at rare earth element (REE) recovery and separation than current industrial reagents and ...
