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 18 of 18 for “"non-covalent interaction"”.
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Evaluation of Non-Covalent Interaction Models in Molecular Crystals Using Terahertz Spectroscopy
… vibrational spectra. When using solid-state DFT, non-covalent dispersion interactions are not fully treated in typical approaches. In order to account for these interactions, the addition of dispersion force correction terms are necessary. A number of methods exist to correct for this deficiency …
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Proviral Roles of Ebola virus VP35 Ubiquitination
… and -deficient cells due to impaired interactions with the viral polymerase. The lack of ubiquitination on VP35/K309 or TRIM6 deficiency disrupts viral transcription with increasing severity along the transcriptional gradient. This dysregulation of the transcriptional gradient results …
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Elucidation of the components involved in the antioxidant activity of honey
… structure and are likely incorporated by covalent or non-covalent interaction.
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Investigations of the Non-Covalent CH-Π Interactions Using Molecular Torsional Balances
… balances were designed to study aliphatic CH-pi interactions and aromatic CH-pi interactions (edge-to-face arene-arene interactions). In each case, the geometries of the interactions were characterized in the solid-state via X-ray analysis, and the strengths of interactions were characterized in …
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Copper/zinc Sods of Salmonella Typhimurium: Enzymatic Properties and Correlation to Pathogenesis
… SodCI is ""tethered"" in the periplasm by some non-covalent interaction. In contrast, SodCII is monomeric and is quantitatively released by osmotic shock. Using site-directed mutagenesis we constructed a monomeric, fully active SodCI that is now released by osmotic shock. Thus dimerization is …
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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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Investigating the polyphosphate interactome with lysine- and histidine-rich proteins
… function of polyP, featured by its strong but non-covalent interaction with lysine repeat proteins, termed lysine polyphosphate modification (KPM). Amidst studying histidine polyphosphate modifications (HPM), proteins with repeating lysine residues emerged as plausible polyP targets. Screening …
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Fabrication and characterisation of ZnO nanostructures: from nanoscale building blocks to hybrid nanomaterials - towards emerging technologies in sensing applications
… having dual or multiple morphologies. The non-covalent interaction of these inorganic nanosystems with organic molecules, having spe-cific chemical behavior, represents a strategy to obtain hybrid organic-inorganic nanomaterials, thus offering interesting potentiality for the design of high …
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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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Remodelling Surface Site Interaction Points
The Surface Site Interaction Point (SSIP) model describes the non-covalent interaction properties of molecules by abstracting a discrete number of points on the van der Waals surface of molecules. Each point is assigned a value based on empirical interaction scales and the calculated Molecular …
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Designing Functionality into Step-Growth Polymers from Liquid Crystallinity to Additive Manufacturing
… synthesis resulted in a telechelic ionomer. The non-covalent interaction of the ionic groups will hopefully improve the compression and transverse mechanical properties of the LCP. In contrast, post-polymerization functionalization incorporated acrylate groups onto the ends of a basic …
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Bridging Mesoscale Phenomena and Macroscopic Properties in Block Copolymers Containing Ionic Interactions and Hydrogen Bonding
… the synthesis of novel block copolymers with non-covalent interactions (electrostatic interaction and/or hydrogen bonding) to examine the relationships between mesoscale phenomenon and macroscopic physical properties. Non-covalent interactions offer extra intra- and inter-molecular …
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Bio-inspired Cellulose Nanocomposites
… cationic polymer with alkali lignin revealed a non-covalent interaction. The work demonstrated how noncovalent interactions could be exploited to molecular organize thin polyphenolic biopolymers on cationic surfaces. The second phase of the study examined the adsorption steps during the LbL …
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A COMPUTATIONAL STUDY OF BONDING INTERACTIONS AND SURFACE CHEMISTRY ON METAL SUBSTRATES
… comprehensive exploration of on-surface bonding interactions and surface chemistry is crucial. In this thesis, Density Functional Theory (DFT) calculations are used to help scientists investigate and explore the underlying principles and driving forces of bonding interactions and chemical …
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Halogen···Halogen interactions in host - guest systems
For a few decades now, halogen bonds which are non-covalent interactions, have gained a lot of interest in the science community due to their applications in diverse research areas. Halogen bonding (XB) is an interaction that occurs between electron deficient halogen compounds and electron donors. …
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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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Antimicrobial Effectors Act Cooperatively to Stress Salmonella in the Macrophage Phagosome
… the periplasm after osmotic shock, a phenomenon that we term tethering. We are further characterizing SodCI tethering within the periplasm and its importance for Salmonella virulence. We hypothesize that during infection, cationic antimicrobial peptides (CAMPs) from the macrophage transiently …