Sökning: "aromatic interactions"

Visar resultat 1 - 5 av 68 avhandlingar innehållade orden aromatic interactions.

1. 1. Protein unfolding by interfaces and interactions between polycyclic aromatic hydrocarbons

   Författare :Svetla Chakarova Käck; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; first-principles calculations; PAH; denaturation; protein-interface interactions; van der Waals interactions; lattice models; polycyclic aromatic hydrocarbons; DFT; density functional theory;

   Sammanfattning : In order to theoretically study large and complex systems, a variety of approaches that can be categorized loosely as top-down or bottom-up are followed. While our vision is to bridge the gap between these approaches and use them together in multiscale materials modeling, the present thesis is limited to give examples of each type of approach in the study of soft-matter systems. LÄS MER

3. 2. Bicyclo[3.3.1]nonanes as Scaffolds in Supramolecular Chemistry : From Host-Guest Systems to Hydrogen-Bonded Aggregates

   Författare :Anna Lidskog; Centrum för analys och syntes; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; supramolecular chemistry; host-guest system; non-covalent interactions; hydrogen bonding; aromatic interactions; electrostatic interactions; synthetic receptors; self-assembly; nanotubes;

   Sammanfattning : This thesis describes the use of bicyclo[3.3.1]nonane and its heteroanalogue 1,5- diazabicyclo[3.3. LÄS MER

4. 3. Exploring Molecular Interactions : Synthesis and Studies of Clip-Shaped Molecular Hosts

   Författare :Anjaneya Prasad Polavarapu; Helena Grennberg; Adolf Gogoll; Jerker Mårtensson; Uppsala universitet; []
   Nyckelord :Organic chemistry; Glycoluril clips; host-guest systems; supramolecular chemistry; complexation induced shifts; conformational restriction; NMR spectroscopy; fullerene binding; Organisk kemi;

   Sammanfattning : Molecular recognition via noncovalent interactions plays a key role in many biological processes such as antigen-antibody interactions, protein folding, the bonding and catalytic transformation of substrates by enzymes, etc. Amongst these noncovalent interactions, electrostatic interactions, hydrogen bonding, π-π interactions, and metal-to-ligand bonding are the most prominent. LÄS MER

5. 4. Exploring the Molecular Behavior of Carbohydrates by NMR Spectroscopy : Shapes, motions and interactions

   Författare :Olof Engström; Göran Widmalm; Anthony S. Serianni; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NMR spectroscopy; NMR relaxation; DNMR; CORCEMA-ST; carbohydrates; caffeine; O-antigen; glycofullerenes; organisk kemi; Organic Chemistry;

   Sammanfattning : Carbohydrates are essential biomolecules that decorate cell membranes and proteins in organisms. They are important both as structural elements and as identification markers. Many biological and pathogenic processes rely on the identification of carbohydrates by proteins, thereby making them attractive as molecular blueprints for drugs. LÄS MER

7. 5. DNA Interactions with Chiral Polyaza-aromatic Ruthenium(II) Complexes

   Författare :Per Lincoln; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; phenanthroline; binding geometry; binding isotherm; DNA; dppz; linear dichroism; intercalation; ruthenium; cooperative binding;

   Sammanfattning : The binding to DNA of a series of chiral ruthenium complexes is studied with optical spectroscopy techniques, including isotropic absorption, linear dichroism (LD) and emission anisotropy as well as steady-state and time-resolved luminescence. The thesis focuses on the ìlight-switchî complex [Ru(phen)2dppz]2+ which binds to DNA by intercalation and luminesces when bound to DNA but not in pure buffer solution (phen=1,10-phenanthroline; dppz=dipyrido[3,2-a:2',3'-c]phenazine). LÄS MER