Sökning: "phosphoester hydrolysis"

Hittade 4 avhandlingar innehållade orden phosphoester hydrolysis.

1. 1. 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

3. 2. Hydrolytic and oxidative catalytic activities of bio-inspired dinuclear metal complexes

   Författare :Biswanath Das; Kemisk fysik; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Bioinorganic Chemistry; Metalloenzymes; Catalyst; Transition states; Phosphoesterase;

   Sammanfattning : A number of homo- and heterodinuclear complexes have been synthesized as structural and functional models for the the active sites of phosphoesterases and soluble methane monooxygenases. The complexes are based on four new dinucleating ligands containing a central, potentially bridging, phenolate moiety. LÄS MER

4. 3. Quantum Chemical Modelling of Biomimetic Phosphoesterase Complexes

   Författare :Henrik Daver; Fahmi Himo; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Phosphoesterases are a class of enzymes that catalyze hydrolysis of phosphoester bonds. They facilitate the modification of nucleic acid sequences, as well as the breakdown of rest products of warfare agents and insecticides. In this thesis, three biomimetic complexes that perform the same tasks are studied using density functional theory. LÄS MER

5. 4. 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