Concept

Hydrosilylation

Publications associées (42)

Computational Evidence for the Catalytic Mechanism of Human Glutathione S Transferase A3-3. A QM/MM Investigation

A Quantum Mechanics/Molecular Mechanics (QM/MM) computational investigation of the catalytic mechanism of the human glutathione transferase A3-3 (hGSTA3-3) has been carried out. The results demonstrate that the isomerization reaction is concerted, but high ...

2012

Evaluation of ionic liquid soluble imidazolium tetrachloropalladate pre-catalysts in Suzuki coupling reactions

Paul Joseph Dyson, Rosario Scopelliti, Zhaofu Fei, Ning Yan, Xiang Li, Kelly Joan Kilpin, Hongbing Song

Imidazolium salts with aromatic groups 1,3-bis(9-anthracenylmethyl)imidazolium chloride ([Bamim]Cl), 1,3-bis(1-naphthalenylmethyl)imidazolium chloride ([Bnmim]Cl) and 1,3-bis( benzylmethyl)imidazolium chloride ([Bbmim]Cl) were reacted with PdCl2 forming th ...

Elsevier2012

Ruthenium vs. Osmium Complexes as Catalysts for Atom Transfer Radical Addition Reactions

Rosario Scopelliti, Kay Severin, Gregor Kiefer, Katrin Anne Thommes

The catalytic activity of [Cp*OsBr2(PPh3)] in conjunction with Mg has been evaluated for atom transfer radical addition (ATRA) and cyclization (ATRC) reactions. The Os complex enabled these reactions to be performed with similar efficiency as that of the a ...

Wiley-Blackwell2010

Proton Pump for O2 Reduction Catalyzed by 5,10,15,20- Tetraphenylporphyrinatocobalt(II)

Hubert Girault, Bin Su, Fengping Li, Raheleh Partovi Nia, Zdenek Samec

The role of 5,10,15,20-tetraphenylporphyrinatocobalt(II) ([Co-(tpp)]) as a catalyst on molecular oxygen (O2) reduction by ferrocene (Fc) and its two derivatives, 1,1’-di-methylferrocene (DFc) and decamethylferrocene (DMFc) at a polarized water¦1,2-dichloro ...

2009

Nitrogen fixation at passivated Fe nanoclusters supported by an oxide surface: Identification of viable reaction routes using density functional calculations

Alfredo Pasquarello, Harald Brune, Zeljko Sljivancanin

Using density-functional calculations, we investigate the possibility of ammonia synthesis at supported Fe nanoclusters along catalytic routes closely resembling those in biological nitrogen fixation. To achieve similar catalytic conditions as at the activ ...

2009

Hydrocarboxylation of Terminal Alkenes in Supercritical Carbon Dioxide

Gabor Laurenczy

The catalytic hydrocarboxylation of linear alkenes to carboxylic acids using supercritical carbon dioxide as a solvent was studied. High selectivities in acids have been obtained. The best results were achieved when adding a perfluorinated surfactant to th ...

2008

Neutral ligands with exceptional donor ability for palladium-catalyzed alkene hydrogenation

With four site: Catalytic olefin hydrogenation is observed with palladium complexes when the N-heterocyclic carbene ligand is changed from the normal C2- to the unusual C4-bonding mode (see scheme). In a cis coordinating framework, the electron density at ...

2007

Structural and kinetic studies of induced fit in xylulose kinase from Escherichia coli

Henning Paul-Julius Stahlberg

The primary metabolic route for D-xylose, the second most abundant sugar in nature, is via the pentose phosphate pathway after a two-step or three-step conversion to xylulose-5-phosphate. Xylulose kinase (XK; EC 2.7.1.17) phosphorylates D-xylulose, the las ...

Elsevier BV2007

Embedding an Allylmetal Dimer in a Chiral Cavity: The Unprecedented Stereoselectivity of a Twofold Wittig [1,2]-Rearrangement

Frédéric Bailly

After alpha,alpha'-dimetalation, both 2,2'-diallyloxy-1,1'-binaphthyl and 2,2'-di-2-methylallyloxy-1,1'-binaphthyl undergo the Wittig rearrangement with perfect diastereoselectivity. When racemic 1,1'-binaphthyl-2,2'-diol ("BINOL") is used as the starting ...

2006

Unconventional Catalytic Mechanism for histone deacetylase suggested by a DFT-QM/MM study

Histone deacetylases (HDACs) constitute an important family of zinc-dependent enzymes responsible for catalyzing the cleavage of acetyl groups from acetyl-lysine residues in histone N-terminal tails. HDACs can potentially play a key role treating various c ...

2006

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