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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 257 for “"Non-covalent"”.
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Quantifying Cooperativity in Non-Covalent Networks
Non-covalent interactions are important in biological, material, systems, and supramolecular chemistry. Some quantification of cooperativity in networks of non-covalent interactions has been done in the literature, but these experiments are often complex and not easily applicable to many different …
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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
… of the dendrimers was tested. As with similar, non polyamine terminated perylene containing dendrimers reported in the literature, the first generation dendrimer was shown to solubilise carbon nanotubes. The first generation dendrimer demonstrated a particularly high DNA binding ability, …
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Non-Covalent Interactions in Water Using Synthetic and Biological Receptors
… interactions, partial desolvation of polar and non-polar surfaces and changes in conformational flexibility. Here, conformationally well-defined supramolecular complexes formed between four different calix[4]pyrrole receptors and thirty different pyridine N-oxide guests provide a platform for …
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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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Development Of Electrochemical Sensors And Non-Covalent Monolayer Modification Of Graphene
… sensors (Chapter 1-5), and the other is the non-covalently modification of graphene with monolayers of receptors, also in view of the development of chemical sensors (Chapter 6-7). Good electrode-to-electrode reproducibility is a necessity for calibration-free electrochemical sensors. …
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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
Conventional studies of ionomers have focused on ionomers bearing monovalent carboxylate or sulfonate pendant ions. There are relatively fewer studies on ionomers containing multivalent pendant ions, such as divalent phosphonate. In this dissertation, poly(ethylene terephthalate) (PET) and …
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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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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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Investigations of the Non-Covalent CH-Π Interactions Using Molecular Torsional Balances
… sensitive to variations in the strengths of weak non-covalent interactions. Several different aspects of the CH-pi interactions were studied, such as sterics, conformational entropy, cooperativity, deuterium isotope effect, substitution effects, and solvent effects. It showed that due to the weak …
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Gas-Phase Covalent And Non-Covalent Ion/ion Chemistry Of Biological Macromolecules
… area of ion/ion chemistry, while selective covalent modification represents a fairly new area of gas-phase chemistry. Gas-phase covalent chemistry is based on traditional solution phase organic chemistry.</p> <p>The work demonstrated in this dissertation greatly involves gas-phase covalent …
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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
… of NNs specific to the prediction of long-range, non-local intermolecular interactions--which existing models are not equipped to capture--is explored. Throughout the course of the chapters two through four, an equivariant atomic-pairwise neural network with a hybrid force field functional form …
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Development of Non-covalent Chemical Probes for μ, δ and κ Opioid Receptors
Opioids are well-known pain relievers and one of several therapeutic options for pain management. Although opioids are very effective analgesics, continued use and abuse can lead to physical dependence and withdrawal symptoms. Their side effects, such as constipation, respiratory depression, and …
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The Photophysics and Transport Properties of Non-Covalent Silicon Phthalocyanine Gold Nanoparticle Conjugates
… including cancer. The use of nanomaterials for non-covalent drug delivery has shown great success in the delivery of photodynamic therapy drugs in animal models, and has great potential as a general delivery vector for hydrophobic drugs. A detailed understanding of what physical forces dictate …
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Control of covalent and non-covalent presentation of biomolecules within collagen GAG scaffolds
… optimal conditions to control the levels of covalent and non-specific attachment of biotinylated Concanavalin A (ConA) via two distinct covalent patterning techniques: 1-ethyl-3-3-dimethylaminopropylcarbodiimide hydrochloride (EDC) crosslinking and benzophenone (BP) biophotolithography. The …
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