Search for dissertations about: "Halogen Bond"

Showing result 1 - 5 of 12 swedish dissertations containing the words Halogen Bond.

2. 1. Characterising Halogen Bonding in a Cooperative Model System

   Author : Stefan Peintner; Mate Erdelyi; Anja Sandström; Uppsala universitet; []
   Keywords : Halogen Bond; NMR; peptide; conformation; RDC; Chemistry with specialization in Organic Chemistry; Kemi med inriktning mot organisk kemi;

   Abstract : Non-covalent interactions are the main driving factor for secondary structure formation of biomacromolecules and are of enormous importance for the direction of molecular recognition events, for example those of importance for drug discovery. Profound understanding of these interactions is of vital importance to achieve high affinity and selectivity of a ligand to a chosen target. READ MORE

4. 2. The solution conformations of macrocycles. Applications in the exploration of weak interactions and in drug development

   Author : Emma Danelius; Göteborgs universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Macrocycles; cyclic peptides; NMR; solution conformational analysis; NAMFIS; β-hairpin; weak interactions; halogen bonding; protein-protein interaction; bioactive conformation; macrolides; cell permeable conformation.;

   Abstract : Understanding the solution conformation and dynamics of molecules with biological relevance, as well as the impact of their conformation stabilizing weak interactions, is for example important for drug design. Macrocycles have attractive pharmaceutical properties, and are of special interest as drug leads for targets with large, flat and featureless binding sites like protein-protein interfaces. READ MORE

5. 3. Symmetry of Halonium Complexes in Solution

   Author : Anna-Carin Carlsson; Göteborgs universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; bis pyridine -based halonium complexes; ethylenehalonium ions; structure symmetry; isotopic perturbation of equilibrium; solution NMR spectroscopy; isotope effects; N-X -N halogen bond; C-X -C interaction;

   Abstract : In this thesis the symmetry of two interaction types involving electropositive halogens have been studied in solution; the N-X+-N halogen bond (X = Br or I), and the C-X+-C interaction of previously characterised, cyclic, 1,2-bridged halonium ions (X = Cl or Br), respectively. The three N-X+-N model structures included are bispyridine, 1,2-bis(pyridine-2-ylethynyl)benzene and 1,2-bis((4-methylpyridin-2-yl)ethynyl)benzene halonium triflate complexes. READ MORE

6. 4. Investigation of [N-X-N]+ and [N-C-N]+ complexes in solution : Exploring Geometry, Stability and Symmetry

   Author : Alavi Karim; Göteborgs universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; three center four electron; halonium; carbenium; carbonium; pentavalent; symmetry; NMR; variable temperature; counterion; isotopic perturbation of equilibrium;

   Abstract : Halogen bonding is a weak interaction. In this thesis the three center four electron halogen bond, [N−X−N]+, has been studied. The lighter halogens form highly unstable halonium ions that are reactive towards nucleophiles and their complexes were therefore investigated at low temperatures. READ MORE

7. 5. Shape Matters : Characterization of Weak Interactions and Macrocycles by Conformational Analysis

   Author : Stefan Peintner; Máté Erdélyi; Oliver Zerbe; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES;

   Abstract : When studying conformational ensembles, it is most challenging to identify and characterize rapidly interconverting individual conformers. A precise description of the structural dynamics, however, rewards viable knowledge on conformation stabilizing forces as well as on the impact of external influences on the conformer composition. READ MORE