Alkane oxidation: methane monooxygenases, related enzymes, and their biomimetics

VCC Wang, S Maji, PPY Chen, HK Lee, SSF Yu… - Chemical …, 2017 - ACS Publications
Methane monooxygenases (MMOs) mediate the facile conversion of methane into methanol
in methanotrophic bacteria with high efficiency under ambient conditions. Because the …

Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes

B Meunier, SP De Visser, S Shaik - Chemical reviews, 2004 - ACS Publications
The cytochromes P450 constitute a large family of cysteinato-heme enzymes, 1-9 are
present in all forms of life (plants, bacteria, and mammals), and play a key role in the …

C H Bond Activation in Transition Metal Species from a Computational Perspective

D Balcells, E Clot, O Eisenstein - Chemical reviews, 2010 - ACS Publications
Alkanes constitute the cheapest and most abundant feedstock for organic chemicals.
However, the redistribution of CsC and CsH bonds in hydrocarbons into more sophisticated …

P450 Enzymes: Their Structure, Reactivity, and Selectivity Modeled by QM/MM Calculations

S Shaik, S Cohen, Y Wang, H Chen, D Kumar… - Chemical …, 2010 - ACS Publications
The introduction of oxygen into biochemical processes has brought about an evolutionary
leap in the history of life, whereby many organisms have evolved to use oxygen as part of …

Chemistry with methane: concepts rather than recipes

H Schwarz - Angewandte Chemie International Edition, 2011 - Wiley Online Library
Four seemingly simple transformations related to the chemistry of methane will be
addressed from mechanistic and conceptual points of view: 1) metal‐mediated …

Two-State Reactivity as a New Concept in Organometallic Chemistry§

D Schröder, S Shaik, H Schwarz - Accounts of Chemical Research, 2000 - ACS Publications
It is proposed that spin-crossing effects can dramatically affect reaction mechanisms, rate
constants, branching ratios, and temperature behaviors of organometallic transformations …

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 …

Selective C–H oxidation catalyzed by metalloporphyrins

M Costas - Coordination Chemistry Reviews, 2011 - Elsevier
Selective oxidation of saturated C–H bonds remains a challenge in modern chemistry. The
inert nature of such bonds requires the use of highly reactive reagents, and this poses major …

Reactivity of high-valent iron–oxo species in enzymes and synthetic reagents: a tale of many states

S Shaik, H Hirao, D Kumar - Accounts of chemical research, 2007 - ACS Publications
The Account discusses the phenomenon of two-state reactivity (TSR) or multistate reactivity
(MSR) in high-valent metal–oxo reagents, projecting its wide-ranging applicability starting …

Metalloporphyrins: bioinspired oxidation catalysts

MM Pereira, LD Dias, MJF Calvete - Acs Catalysis, 2018 - ACS Publications
The utilization of metalloporphyrins as bioinspired oxidation catalysts is an evolving topic of
research. By understanding the cytochrome P-450 mechanism of action, chemists have …