Sökning: "host-guest systems"

Visar resultat 6 - 10 av 13 avhandlingar innehållade orden host-guest systems.

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

    Författare :Markus Nilsson; Fysikalisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; host-guest complexation; gemini surfactant; cyclodextrin; bolaform surfactant; self-diffusion NMR; pluronic; bicontinuous microemulsion; polydispersity; boosting effect;

    Sammanfattning : 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. LÄS MER

  3. 7. 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

  4. 8. Accurate Force Fields for Spectroscopic Studies of Protein–Ligand Interactions and Self-Assembly Structures

    Författare :Yogesh Todarwal; Patrick Norman; Daniel Escudero; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular Dynamics Simulations; Force Field Parametrization; Density Functional Theory; Host-Guest Chemistry; Self-Assembly Systems; Neurodegenerative Diseases; Supramolecular Chemistry; Fluorescent Ligands; Oligothiophenes; Cyclonaphthodithiophene Diimides; Sulfonimidamide Organogelators; Helicenes.; Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

    Sammanfattning : The computational prediction of complex molecular behaviors is an essen- tial component of modern chemistry, as it provides a faster and more cost- effective way to explore molecular interactions that may be difficult or even impossible to study experimentally. Molecular dynamics (MD) simulations of- ten serve as a valuable tool for such predictions; however, their accuracy is inherently dependent on the force field (FF) parameters employed. LÄS MER

  5. 9. Modulation of Molecular Properties : Host–Guest Interactions for Structural Analysis and Chemical Reactions

    Författare :Sara Norrehed; Adolf Gogoll; Jerker Mårtensson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; host-guest systems; conformational analysis; NMR spectroscopy; bispidines; porphyrins; Kemi med inriktning mot organisk kemi; Chemistry with specialization in Organic Chemistry;

    Sammanfattning : This thesis concerns the construction, use and modulation of various host–guest systems, from small bispidines for binding of inorganic ions to bisporphyrin clips for supramolecular systems.Small flexible molecules undergo fast conformational movements when in solution. LÄS MER

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

    Författare :Henrik Daver; Fahmi Himo; Gregori Ujaque; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; density functional theory; catalysis; phosphoester hydrolysis; transesterification; supramolecular chemistry; inclusion complex; host-guest chemistry; cycloaddition; organisk kemi; Organic Chemistry;

    Sammanfattning : 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. LÄS MER