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 74 for “"noncovalent"”.
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Noncovalent Functionalization Of Graphene
… pyrene, but reach greater monolayer densities. Noncovalent functionalization also allows assembled functionality to behave dynamically on the surface, afeature not observed in conventional self assembled monolayers. In addition, while biomacromolecuels adsorbed on bare graphene can lose their …
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Benzimidazole-Based Fluorophores and Noncovalent Organic Frameworks
… pronounced colorimetric response to anions. Noncovalent organic frameworks are porous materials; their porosity results from noncovalent interactions. The series of perfluorinated precursors was synthesized and crystalized to obtain desired noncovalent organic frameworks. The porous framework …
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Determination of Noncovalent Intermolecular Interaction Energy from Electron Densities
<p>Noncovalent intermolecular interactions, widely found in molecular clusters and bio-molecules, play a key role in many important processes, such as phase changes, folding of proteins and molecular recognition. However, accurate calculation of interaction energies is a very difficult task because …
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Noncovalent Interactions Involving Microsolvated Networks Of Trimethylamine N-Oxide
… is used to interpret the effects of noncovalent interactions by solvation with select hydrogen bond donors such as water, methanol, ethanol and ethylene glycol in the form of slight changes in vibrational frequencies. Spectral shifts in the experimental Raman spectra of interacting …
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Investigations Of Noncovalent Interactions Using Raman Spectroscopy And Electronic Structure Computations
… dissertation research focuses on the effects of noncovalent interactions on vibrational energy levels. Vibrational spectroscopy is a powerful tool for the study of the effects of weak intermolecular interactions such as hydrogen bonding and interactions with the environment, including solvation …
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The Effects Of Noncovalent Interactions Studied By Ultrafast Two-Dimensional Infrared Spectroscopy
Understanding how noncovalent interactions affect dynamics and energetics is essential for predicting and describing chemical reactivity and stability. In this thesis I investigate the impact of noncovalent interactions on two different types of reactive systems: fluxional metal carbonyl complexes …
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Interplay of Transition Metals and Noncovalent Interactions in C–H Activation Catalysis
… several of which are mediated with the help of noncovalent interactions such as hydrogen bonds (HBs). Most reactions share a common catalytic pathway with the formation of a reactive ferryl intermediate which is hard to be characterized experimentally. Computational studies of these enzymes help …
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An Experimental and Computational Study of Noncovalent Interactions in Gas Phase Ion Solvation
Overall, vibrational spectroscopy, combined with theoretical simulation methods, provide a potent combination of techniques for the study of cluster ions and thereby the intermolecular interactions which govern their structure.
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Noncovalent adsorption of nucleotides in gold nanoparticle DNA conjugates : bioavailability at the bio-nano interface
… of biomolecules in application environments. Noncovalent interactions of biochemical functional groups with nanostructure surfaces can significantly disrupt biomolecular structure and function. We report a systematic study of the effect of DNA sequence on the binding interaction between gold …
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Noncovalent Interactions Between Alkali Metal Cation And Aza/thia-Crown Macrocycles: Mass Spectrometric Techniques And Theoretical Studies
… and aza-crown and thia-crown ethers, as well as noncovalently bound complexes comprised of these species. Quantum chemical calculations were also used to generate linear IR spectra and provide theoretical bond dissociation energy (BDEs) for comparison to IRMPD action spectra and experimentally …
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Theoretical And Experimental Studies Of Noncovalent Metal Cation Binding And Base Pairing Interactions Of Cytosine And Modified Cytosines
… <p>THEORETICAL AND EXPERIMENTAL STUDIES OF NONCOVALENT METAL CATION BINDING AND BASE PARING INTERACTIONS OF CYTOSINE AND MODIFIED CYTOSINES</p> <p>by</p> <p>BO YANG</p> <p>December 2014</p> <p>Advisor: Professor Mary T. Rodgers</p> <p>Major: Analytical Chemistry</p> <p>Degree: Doctor of …
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Discovery of PSMA-Specific Peptide Ligands and Development of A Noncovalent Method to Attach Chemical Moieties to siRNA
The objective of this dissertation is to discover PSMA (Prostate Specific Membrane Antigen)-specific peptide ligands using phage display and employ peptide nucleic acid as a complementary linker to attach chemical moieties to siRNA. In Chapters 1 and 2, we introduced and discussed the background of …
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Characteristics and Performance of Novel Squarylium Dyes as Fluorescent Probes for the Analysis of Proteins and Viruses by CE-LIF
… includes organic dye molecules to act as noncovalent fluorescent labels to aid biomolecule detection. Noncovalent binding of dyes through hydrophobic, electrostatic, and other interactions with biological molecules can result in improved sensitivity by assays using capillary …
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NONCOVALENT INTERACTION OF PLATINUM PLANAR AMINE COMPOUNDS WITH TRYPTOPHAN: A STRATEGY TO INTERFERE WITH P53-MDM2 INTERACTIONS AND TARGETING RETROVIRAL ZN FINGER-DNA INTERACTION (HIV NCP7)
<p>Non-covalent interactions involving π-π stacking play an essential role in self-assembly and molecular recognition processes such as protein folding and DNA/RNA-protein selective recognition. The knowledge gained from these studies could provide insight into possible site recognition complexes, …
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Biomimetic models for redox enzyme systems
Supramolecular chemistry involves the study of noncovalent interactions that take place between molecules. A supramolecule or host-guest complex is formed when a noncovalent binding or complexation event occurs between two such molecules. Hydrogen bonds, electrostatics, pi-stacking, hydrophobic …
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Fundamental computational investigations of halogen and chalcogen bonding : electronic structure and reactivity.
Noncovalent interactions are well established yet still an active area of research, as they are relevant to molecular structure, molecular recognition, chemical reactivity, and supramolecular chemistry. A major area of study involves interactions driven by electrophilic σ-holes, including, but not …
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ANALYSIS BY CAPILLARY ELECTROPHORESIS WITH LASER-INDUCED FLUORESCENCE DETECTION: FROM SMALL MOLECULES TO WHOLE CELLS
… fluorescent dyes (bis-SQHN-4d and SQHN-3c) as noncovalent protein labels was investigated. The fluorescence emissions of both dyes were enhanced upon complexation with model proteins, demonstrating promise as noncovalent fluorescent protein labels. Third, the nature of interactions between two …
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Microstructural manipulation and architecture design of carbon-based electrochemical systems
… ease of modifications either by covalent or by noncovalent functionalization. My thesis aims at elucidating the structure-property relationships of carbon-based electrochemical systems, to realize several important applications including electrochemical sensing, catalysis, and energy storage. …
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Design and synthesis of mechanistic probes for polyhydroxybutyrate synthases
… between Cys on each monomer. The second involves noncovalent intermediates (HB)[subscript]nCoA (n ≥ 2). Here the substrate analog HBOCoA was successfully employed to trap the noncovalent intermediates in the reactions catalyzed by class III PhaC from Allochromatium Vinosum, which supports our …
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Molecular specificity of substrate recognition and activation in cytochrome P-450(CAM)
… of living systems and the chemistry of noncovalent bonding. Hydrogen bonding and hydrophobic interactions have been implicated in binding and activation of hydrocarbon substrates by cytochrome P-450$\sb{\rm cam}$. The dependence of the reaction efficiency and specificity on the …
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