Selective functionalisation of saturated C–H bonds with metalloporphyrin catalysts

CM Che, VKY Lo, CY Zhou, JS Huang - Chemical Society Reviews, 2011 - pubs.rsc.org
The recent surge of interest in metal-catalysed C–H bond functionalisation reactions reflects
the importance of such reactions in biomimetic studies and organic synthesis. This critical …

Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes

S Shaik, D Kumar, SP de Visser, A Altun… - Chemical …, 2005 - ACS Publications
Cytochrome P450 is one of the most versatile enzymes in nature. 1 It uses dioxygen and two
reducing equivalents to catalyze a great variety of stereospecific and regioselective oxygen …

Crystallographic and spectroscopic characterization of a nonheme Fe (IV)= O complex

JU Rohde, JH In, MH Lim, WW Brennessel… - Science, 2003 - science.org
Following the heme paradigm, it is often proposed that dioxygen activation by nonheme
monoiron enzymes involves an iron (IV)= oxo intermediate that is responsible for the …

Selective alkane transformations via radicals and radical cations: Insights into the activation step from experiment and theory

AA Fokin, PR Schreiner - Chemical reviews, 2002 - ACS Publications
As the main constituent of natural gas, alkanes are arguably Nature's most plentiful organic
base chemicals that are easily accessible. Chemists have long coveted the use of alkanes …

Microbial P450 enzymes in biotechnology

VB Urlacher, S Lutz-Wahl, RD Schmid - Applied microbiology and …, 2004 - Springer
Oxidations are key reactions in chemical syntheses. Biooxidations using fermentation
processes have already conquered some niches in industrial oxidation processes since they …

Quantum Mechanical/Molecular Mechanical Investigation of the Mechanism of C−H Hydroxylation of Camphor by Cytochrome P450cam:  Theory Supports a Two …

JC Schöneboom, S Cohen, H Lin… - Journal of the …, 2004 - ACS Publications
The stereospecific cytochrome P450-catalyzed hydroxylation of the C5− H (5-exo) bond in
camphor has been studied theoretically by a combined quantum mechanical/molecular …

A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome P450

T Kamachi, K Yoshizawa - Journal of the American Chemical …, 2003 - ACS Publications
Mechanistic and energetic aspects for the conversion of camphor to 5-exo-hydroxycamphor
by the compound I iron-oxo species of cytochrome P450 are discussed from B3LYP DFT …

Oxidation of C−H Bonds by [(bpy)2(py)RuIVO]2+ Occurs by Hydrogen Atom Abstraction

JR Bryant, JM Mayer - Journal of the American Chemical Society, 2003 - ACS Publications
Anaerobic oxidations of 9, 10-dihydroanthracene (DHA), xanthene, and fluorene by [(bpy) 2
(py) RuIVO] 2+ in acetonitrile solution give mixtures of products including oxygenated and …

Electronic structure of compound I in human isoforms of cytochrome P450 from QM/MM modeling

CM Bathelt, J Zurek, AJ Mulholland… - Journal of the American …, 2005 - ACS Publications
Human cytochromes P450 play a vital role in drug metabolism. The key step in substrate
oxidation involves hydrogen atom abstraction or CC bond addition by the oxygen atom of …

Revisiting the mechanism of P450 enzymes with the radical clocks norcarane and spiro [2, 5] octane

K Auclair, Z Hu, DM Little… - Journal of the …, 2002 - ACS Publications
Norcarane (1) and spiro [2.5] octane (2) yield different product distributions depending on
whether they are oxidized via concerted, radical, or cationic mechanisms. For this reason …