Sökning: "dinuclear"

Visar resultat 1 - 5 av 27 avhandlingar innehållade ordet dinuclear.

  1. 1. Dinuclear metal complexes modelling active sites of metallohydrolases

    Författare :Martin Jarenmark; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Bioinorganic chemistry; enzymes; hydrolases; models; dinuclear; heterodinuclear; phosphotriesterase; purple acid phophatase;

    Sammanfattning : To study the active sites of dinuclear metallohydrolases new metal complexes that model these sites both in structure and function have been synthesized using two new phenol based dinucleating ligands, 2-(N-isopropyl-N-((2-pyridyl)methyl)aminomethyl)-6-(N-(carboxylmethyl)-N-((2-pyridyl)methyl)aminomethyl)-4-methylphenol (IPCPMP) and 2,6-Bis[N-(N-(carboxymethyl)-N-(pyridylmethyl)amine)methyl]-4-methylphenolate (BCPMP). Both ligands contain pyridyl, tertiary amine and carboxylate groups but in IPCPMP one carboxylate donor is exchanged for a non-coordinating group yielding an unsymmetric ligand while BCPMP is symmetric with identical sets of ligands on either side of the phenol group. LÄS MER

  3. 2. Mechanistic Studies of Dinuclear Metalloenzymes - A Model Approach

    Författare :Håkan Carlsson; Kemiska institutionen; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; models; Enzymes; bioinorganic chemistry; dinuclear; urease; nickel; zinc triphosphoesterase; Oorganisk kemi; Inorganic chemistry;

    Sammanfattning : With the goal to study the mechanisms of dinuclear metalloenzymes, a new line of synthetic and computational models were prepared and studied. Mixed imidazole and carboxylate multidentate complexes were synthesized to better simulate carboxylate-rich ligand environments. LÄS MER

  4. 3. Quantum Chemical Cluster Modeling of Enzymatic Reactions

    Författare :Rongzhen Liao; Fahmi Himo; Robert Deeth; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; cluster approach; density functional theory; B3LYP; enzyme; mechanism; dinuclear; trinuclear; zinc; tungsten; hydrolysis; decarboxylation; formaldehyde oxidation; hydration; methyl transfer; Quantum chemistry; Kvantkemi; organisk kemi; Organic Chemistry;

    Sammanfattning : The Quantum chemical cluster approach has been shown to be quite powerful and efficient in the modeling of enzyme active sites and reaction mechanisms. In this thesis, the reaction mechanisms of several enzymes have been investigated using the hybrid density functional B3LYP. LÄS MER

  5. 4. Dependence of the coordination number of silver(I) in crystalline halogenoargentates(I) on the nature of the cation

    Författare :Göran Helgesson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; clusters; idioargentates I ; halogenocuprates I ; tetraphenylarsonium; crown ethers; tetranuclear; chloroargentates I ; bromoargentates I ; mononuclear; Halogenoargentates I ; heteronuclear; tetraethylammonium; dinuclear; cryptates; tetramethylammonium; crystal structure; silver I ;

    Sammanfattning : .... LÄS MER

  7. 5. Dinuclear Manganese Complexes for Artificial Photosynthesis : Synthesis and Properties

    Författare :Magnus Anderlund; Björn Åkermark; William H. Armstrong; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Crystal Structure; Artificial photosynthesis; Manganese complex; Organic chemistry; Organisk kemi;

    Sammanfattning : This thesis deals with the synthesis and characterisation of a series of dinuclear manganese complexes. Their ability to donate electrons to photo-generated ruthenium(III) has been investigated in flash photolysis experiments followed by EPR-spectroscopy. LÄS MER