Sökning: "Supramolecular chemistry"

Visar resultat 6 - 10 av 60 avhandlingar innehållade orden Supramolecular chemistry.

  1. 6. Application of the 2-Pyridone Hydrogen-Bonding Motif in Supramolecular Catalysis and in Phenanthroline Based Ligands

    Författare :Stefan Jonsson; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Organic chemistry; X-ray crystallography; Phenanthroline; Supramolecular Catalysis; Jacobsen-Katsuki Epoxidation; Mn salen ; Hydrogen-bonding; Supramolecular Chemistry; 2-Pyridone; Organisk kemi;

    Sammanfattning : This thesis concentrates on the development, synthesis and evaluation of supramolecular systems, assembled from its components by means of hydrogen bonding, using the self-complementary 2-pyridone motif. The thesis is divided in two parts. LÄS MER

  3. 7. 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

  4. 8. Efficient Carbohydrate Synthesis By Intra- and Supramolecular Control

    Författare :Hai Dong; Olof Ramström; Ulf Nilsson; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Carbohydrate Chemistry; Supramolecular Control; Ambident Reactivity; Bioorganic chemistry; Bioorganisk kemi;

    Sammanfattning : The Lattrell-Dax method of nitrite-mediated substitution of carbohydrate triflates is an efficient method to generate structures of inverse configuration. In this study, the effects of the neighboring group on the Lattrell-Dax inversion were explored. LÄS MER

  5. 9. Synthesis and Applications of Dynamic Multivalent Nanostructures

    Författare :Kitjanit Neranon; Olof Ramström; Aldrik Velders; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; multivalent nanostructures; self-assembly; metal-ligand exchange; dynamic covalent chemistry; bipyridine derivatives; dendrimers; liposomes; drug delivery; antimicrobial materials; fluorescent probe; plasmonic chemistry; gold surface functionalization; Kemi; Chemistry;

    Sammanfattning : This thesis focuses on the design, synthesis and development of dynamic multivalent nanostructures such as supramolecular dendrimers, liposomes and gold-functionalized nanostructures. These structures can be used for drug delivery and molecular sensing applications. LÄS MER

  7. 10. 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