Search for dissertations about: "host-guest complexes"

Showing result 1 - 5 of 10 swedish dissertations containing the words host-guest complexes.

  1. 1. NMR Investigations of Host-Guest Complexes and Their Dynamic Properties

    University dissertation from Stockholm : Institutionen för fysikalisk kemi, oorganisk kemi och strukturkemi

    Author : Zdenek Tosner; Stockholms universitet.; [2005]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; supramolecular chemistry; host-guest complexes; non-covalent interactions; nuclear magnetic resonance; molecular motion; C-13 relaxation; deuterium NMR; dipolar recoupling; NATURAL SCIENCES Chemistry Physical chemistry; NATURVETENSKAP Kemi Fysikalisk kemi;

    Abstract : This thesis discusses several different methods offered by solution and solid state nuclear magnetic resonance for investigation of host-guest complexes and their constituents. The presented methods were used especially (but not exclusively) to address rotational dynamics of the bound guest in different molecular systems. READ MORE

  2. 2. Chloromethane Complexation by Cryptophanes Host-Guest Chemistry Investigated by NMR and Quantum Chemical Calculations

    University dissertation from Stockholm : Department of Materials and Environmental Chemistry (MMK), Stockholm University

    Author : Zoltan Takacs; Stockholms universitet.; [2012]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Host–guest complexes; inclusion phenomenon; cryptophanes; NMR; kinetics; activation energy; dipolar interaction; exchange; quantum chemical optimization; calculated chemical shifts; NOESY; cavity size; Physical Chemistry; fysikalisk kemi;

    Abstract : Host–guest complexes are widely investigated because of their importance in many industrial applications. The investigation of their physico–chemical properties helps understanding the inclusion phenomenon. The hosts investigated in this work are cryptophane molecules possessing a hydrophobic cavity. READ MORE

  3. 3. On the estimation of ligand binding affinities

    University dissertation from Department of Chemistry, Lund University

    Author : Samuel Genheden; Lund University.; Lunds universitet.; [2012]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; binding affinities protein-ligand complexes; host-guest complexes; MM GBSA; MM PBSA; LIE; PDLD s-LRA; alchemical methods; sampling; solvation; drug design;

    Abstract : A method to accurately estimate the binding affinity of a small molecule to a receptor would be indispensable in numerous fields. For instance, most drugs exert their action by binding to a macromolecule target. Thus, a lot of time and resources could be saved in drug design by predicting affinities by computer programs. READ MORE

  4. 4. NMR Diffusion Studies of Association in Surfactant Systems Inclusion Complexes, Micellar Solutions and Microemulsions

    University dissertation from Lund University (Media-Tryck)

    Author : Markus Nilsson; Lund University.; Lunds universitet.; [2008]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; host-guest complexation; gemini surfactant; cyclodextrin; bolaform surfactant; self-diffusion NMR; pluronic; bicontinuous microemulsion; polydispersity; boosting effect;

    Abstract : The aim of this thesis has been to investigate self-diffusion behavior of host-guest complex, microemulsion and polymer solution. Pulsed Field Gradient NMR (PFG-NMR) was shown to provide detailed molecular information in all system studied. READ MORE

  5. 5. Quantum Chemical Modeling of Phosphoesterase Mimics and Chemistry in Confined Spaces

    University dissertation from Stockholm : Department of Organic Chemistry, Stockholm University

    Author : Henrik Daver; Stockholms universitet.; [2017]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; density functional theory; catalysis; phosphoester hydrolysis; transesterification; supramolecular chemistry; inclusion complex; host-guest chemistry; cycloaddition; Organic Chemistry; organisk kemi;

    Abstract : In this thesis, density functional theory is employed in the study of two kinds of systems that can be considered to be biomimetic in their own ways. First, three binuclear metal complexes, synthesized by the group of Prof. Ebbe Nordlander, have been investigated. READ MORE