Structural studies of supramolecular host-guest systems
type: CreativeWork
description: Abstract This research work details a systematic study of the structure and function of supramolecular host-guest systems. Host-guest inclusion complexes were formed between β-Cyclodextrin (β-CD) and its copolymers (as hosts), with several types of guest molecules both in aqueous solution and the solid state. The research is divided into two themes; (1) structural characterization and dynamic properties of the inclusion compounds of β-CD with various guest systems in aqueous solution and the solid phase, and (2) heterogeneous adsorption and structural studies of β-CD based copolymers with various guest systems in aqueous solutions. The guest systems include alkyl and perfluoroalkyl carboxylates, perfluoroalkyl sulfonate, and p-nitrophenol (PNP) at variable experimental conditions. In the first theme (chapter 2-5), host-guest complexes in the solid state were prepared using dissolution and slow cool methods at variable host/guest mole ratios (i.e., 1:1 and 2:1). The complexes were further characterized using 19F/13C DP/MAS and CP/MAS solid-state NMR spectroscopy. The solution state complexes were prepared in D2O for structural characterization using 1H/19F NMR spectroscopy. The NMR studies were complemented using FT-IR, thermal analyses (DSC, and TGA), and powder X-ray diffraction (PXRD). Evidence for the formation of host-guest inclusion compounds (ICs) was provided using CP/MAS solids NMR spectroscopy and complexation-induced chemical shift (CIS) values of 1H/19F nuclei in aqueous solution. The β-CD/PFC ICs displayed variable guest geometry and hydration states as determined by the host-guest stoichiometry and the conformation of the guest. PFOA and SPFO form 1:1 and 2:1 ICs with β-CD, wherein the guest adopts a range of gauche and trans conformations, respectively. 1:1 host-guest complexes were concluded for short perfluorocarbon chains (i.e., PFBA) where the gauche conformation of the PFC guest in the bound state was favoured. In the second theme (chapters 6–8), …
abstract: Abstract This research work details a systematic study of the structure and function of supramolecular host-guest systems. Host-guest inclusion complexes were formed between β-Cyclodextrin (β-CD) and its copolymers (as hosts), with several types of guest molecules both in aqueous solution and the solid state. The research is divided into two themes; (1) structural characterization and dynamic properties of the inclusion compounds of β-CD with various guest systems in aqueous solution and the solid phase, and (2) heterogeneous adsorption and structural studies of β-CD based copolymers with various guest systems in aqueous solutions. The guest systems include alkyl and perfluoroalkyl carboxylates, perfluoroalkyl sulfonate, and p-nitrophenol (PNP) at variable experimental conditions. In the first theme (chapter 2-5), host-guest complexes in the solid state were prepared using dissolution and slow cool methods at variable host/guest mole ratios (i.e., 1:1 and 2:1). The complexes were further characterized using 19F/13C DP/MAS and CP/MAS solid-state NMR spectroscopy. The solution state complexes were prepared in D2O for structural characterization using 1H/19F NMR spectroscopy. The NMR studies were complemented using FT-IR, thermal analyses (DSC, and TGA), and powder X-ray diffraction (PXRD). Evidence for the formation of host-guest inclusion compounds (ICs) was provided using CP/MAS solids NMR spectroscopy and complexation-induced chemical shift (CIS) values of 1H/19F nuclei in aqueous solution. The β-CD/PFC ICs displayed variable guest geometry and hydration states as determined by the host-guest stoichiometry and the conformation of the guest. PFOA and SPFO form 1:1 and 2:1 ICs with β-CD, wherein the guest adopts a range of gauche and trans conformations, respectively. 1:1 host-guest complexes were concluded for short perfluorocarbon chains (i.e., PFBA) where the gauche conformation of the PFC guest in the bound state was favoured. In the second theme (chapters 6–8), …
author: Karoyo, Abdalla
language: eng
keywords: Cyclodextrin, host-guest complex, sorption
date published: 2016-04-28
date modified: 2026-07-24T04:27:06Z
provider: University of Saskatchewan
publisher: Networked Digital Library of Theses and Dissertations
type: WebPage
source organization: University of Saskatchewan

PropertyValue
property ID: Handle
value: https://hdl.handle.net/10388/ETD-2015-05-1835