Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 119 for “"non-covalent interactions"”.
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Competition Between Different Non-Covalent Interactions in Cluster Ions
Non-covalent interactions are important in ionic systems, where ion-molecule interactions must compete with molecule-molecule interactions. This competition between different non-covalent interactions ultimately governs the behavior of many processes. In this Thesis, competing noncovalent …
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Utilising Non-Covalent Interactions in Developing Enantioselective Radical Transformations
… strategies for radical reactions, utilising non-covalent interactions to control the asymmetry of these processes. The first research chapter describes the use of chiral phosphoric acids to control the enantioselectivity in the reactions of α-amino radicals. Firstly, a Giese reaction with …
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Facilitating Non-Covalent Interactions: 'Nanoglue' for DNA-CNT Nanohybrid Complexes
… possessing a perylene core were synthesised. Interactions were probed between carbon nanotubes and the perylene core. The DNA binding ability of the dendrimers was tested. As with similar, non polyamine terminated perylene containing dendrimers reported in the literature, the first generation …
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Non-Covalent Interactions in Water Using Synthetic and Biological Receptors
… the factors that govern the nature of aromatic interactions in water. The rational design and interpretation of the supramolecular behaviour of aromatic interactions in aqueous solution represents a major challenge. First, aromatic interaction energies are strongly affected by the geometry of …
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Synthesis and Non-Covalent Interactions of Novel Phosphonium-Containing Polymers
… and strains at break compared to those in the non-ionic networks. The first electrospun fibers from Michael addition crosslinking reactions are reported, and equilibrium ionic liquid uptake experimental results indicated that ionic functional networks absorb close to three times the amount of …
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The Atom Surface Site Interaction Point Approach to Non-Covalent Interactions
… Interaction Point (AIP) approach to quantify all non-covalent interactions (NCIs) a molecule is capable of making with the environment, including solvent or any other binding partner in the liquid phase. The approach consists of an AIP description of molecules and a function that considers …
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Non-Covalent Interactions in Polymeric Materials: From Ionomers to Polymer Blends
… of polymer blend systems because of specific interactions that may develop between the ionic groups and complementary functional groups on other polar polymers within the blends. The successful compatibilization of polyester/polyamide blends (prepared by solution mixing and melt blending …
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Non-Covalent Interactions in Block Copolymers Synthesized via Living Polymerization Techniques
Non-covalent interactions including nucleobase hydrogen bonding and ionic aggregation were studied in block and end-functional polymers synthesized via living polymerization techniques such as nitroxide mediated polymerization and anionic polymerization. The influence of non-covalent association on …
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STUDY OF COVALENT AND NON COVALENT INTERACTIONS OF BIOPOLYMER BY MASS SPECTROMETRY
… screening methods directly detect ligand-target non covalent complexes in the gas phase and allow inference of affinity (and specificity) of the ligand-target interaction in solution [1, 2]. The identity of different complexes can be directly assessed as the mass of each molecule works as …
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Characterizing Non-Covalent Interactions And Peptide Bond Formation With Electronic Structure Theory
The development and application of quantum mechanics has exploded in the past century. The rules of classical mechanics were found to be completely insufficient when applied to a universe that operates on the scale of atomic and subatomic particles. The advancement of quantum theory and computer …
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Affordable Quantum Chemistry via Data-Driven and Local Approximations to Non-Covalent Interactions
… physically-rooted insight into intermolecular interactions. A quantitative understanding of these interactions, in turn, is of crucial importance for chemical problems like the modeling of protein-ligand interactions or molecular crystals and clusters. Unfortunately, the expensive computational …
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The Exploration of a Strategy for Regioselective Arene Amination Utilising Non-Covalent Interactions
… commonly obtained in most protocols. Non-covalent interactions have been used in a limited number of examples to control regioselectivity in radical reactions. We therefore decided to investigate whether non covalent interactions between an arene substrate bearing a suitable directing …
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Non-Covalent Interactions in the Design and Performance of Macromolecules for Biological Technologies
Supramolecular, or non-covalent, interactions remain a hallmark of biological systems, dictating biologic activity from the structure of DNA to protein folding and cell-substrate interactions. Harnessing the power of supramolecular interactions commonly experienced in biological systems provides …
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Investigations of the Non-Covalent Interactions of Arenes Using Phencyclone Based Molecular torsion Balances
… torsion balances designed to quantify the non-covalent interactions of arenes have been synthesized and studied. These molecular balances are atropisomeric small molecule model system that exhibit two distinct states, one with and one without an intramolecular non-covalent arene …
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Molecular Devices: Brakes, Rotors, Sensors, and Balances and the Non-Covalent Interactions That Power Them
… such as guest molecules, protons, solvent, and non-covalent interactions. The molecular device systems highlighted in this thesis include: 1) two guest-accelerated molecular rotors, 2) a colorimetric charge transfer molecular sensor, and 3) the application of these molecular devices to measure …
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Study of the Interplay Among Non -Covalent Interactions in Structural Determination of Gas Phase Cluster Ions
… spectroscopy to characterize intermolecular interactions with different ions and solvents.
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Controlling Site-Selectivity in Palladium-Catalysed Cross-Coupling Reactions using Non-Covalent Interactions Between Ligand and Substrate
… cross-coupling reactions by using a non-covalent interaction between a ligand and substrate. A library of phosphine ligands were synthesised that incorporate an anionic or hydrogen bond acceptor group. They were first evaluated in the Mizoroki-Heck reaction with alkenes that bear a …
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Iridium Catalysed Borylation as a Platform for Exploring the Use of Non-Covalent Interactions to Control Regio- and Enantioselectivity
… of regioisomers for 1,2-disubstituted arenes. Non-covalent interactions are a very powerful tool, utilized beautifully in enzymatic catalysis to address issues of regio- and enantioselectivity. In sharp contrast however their utilisation in directing the same aspects of selectivity in …
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