Sökning: "Coordination chemistry"

Visar resultat 21 - 25 av 159 avhandlingar innehållade orden Coordination chemistry.

1. 21. Structure and Dynamics of the Copper-binding Octapeptide Region in the Human Prion Protein

   Författare :Eva-Stina Riihimäki; Lars Kloo; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; prion protein; copper; molecular dynamics simulation; solvation model; metal ions; coordination; Oorganisk kemi; Inorganic chemistry; Oorganisk kemi;

   Sammanfattning : The copper-binding ability of the prion protein may be closely connected to its function. Identifying the exact function of the prion protein can clarify the underlying mechanism in prion diseases. In this work, the copper-binding octapeptide region in the human prion protein has been studied. LÄS MER

3. 22. Regiocontrol in the Heck-reaction and fast fluorous chemistry

   Författare :Kristofer Olofsson; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; palladium; Heck-koppling; regiokontroll; MAO-hämmare; ssao-hämmare; mikrovågskemi; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi; Organic Pharmaceutical Chemistry; organisk farmaceutisk kemi;

   Sammanfattning : The palladium-catalysed Heck-reaction has been utilised in organic synthesis, where the introduction of aryl groups at the internal, β-carbon of different allylic substrates has been achieved with high regioselectivity.The β-stabilising effect of silicon enhances the regiocontrol in the internal arylation of allyltrimethylsilane, while a coordination between palladium and nitrogen induces very high regioselectivities in the arylation of N,N-dialkylallylamines and the Boc-protected allylamine, producing β-arylated arylethylamines, which are of interest for applications in medicinal chemistry. LÄS MER

4. 23. Using Molecular Dynamics Simulations to Explore Critical Property Relationships in Polymer Electrolytes : Polarity, Coordination, Ionic transport, Ion-pairing, and Ion-ion Correlations

   Författare :Harish Gudla; Daniel Brandell; Chao Zhang; Andreas Heuer; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Solid polymer electrolytes; molecular dynamics simulations; solvent polarity; ion-pairing; ion coordination; ion transport mechanisms; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

   Sammanfattning : While ion transport in solid polymer electrolytes (SPEs) has been explored for decades, there still remains controversies about its fundamental properties, often correlated with gaps between experimental and computational studies. Using molecular dynamics simulations to understand the complex transport mechanisms and also to fill these gaps is the main goal of this thesis. LÄS MER

5. 24. Mononuclear Ruthenium Complexes that Catalyze Water to Dioxgen Oxidation

   Författare :Lianpeng Tong; Licheng Sun; Randolph Thummel; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Ruthenium complex; Homogeneous catalysis; Water oxidation; O2 evolution; anionic ligand; Molecular catalyst; Electrocatalysis; Kinetics; Artificial photosynthesis; Light-driven; Immobilization of catalyst;

   Sammanfattning : The theme of this thesis is the development of mononuclear Ru-based complexes that are capable of catalyzing the water oxidation (or O2-evolving) reaction, e.g. 2 H2O → O2 + 4 H+ + 4 e−. Several families of mononuclear Ru water oxidation catalysts were designed and prepared. LÄS MER

7. 25. Oxygen Storage Chemistry of Nanoceria

   Författare :Dou Du; Kersti Hermansson; Peter Broqvist; Pavlin D. Mitev; Joachim Paier; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Nanoceria; Density Functional Theory; Hybrid Functional; Oxygen Storage Capacity.; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

   Sammanfattning : The versatile redox chemistry of ceria (CeO2) originates from its Ce4f electron, which plays the key role in changing the oxidation state of Ce between +IV and +III. Ceria is, among other things, a material that can act as a powerful oxygen buffer with a high oxygen storage capacity (OSC). LÄS MER