Theoretical Study ofN-Demethylation of SubstitutedN,N-Dimethylanilines by Cytochrome P450:  The Mechanistic Significance of Kinetic Isotope Effect Profiles

2007 ◽  
Vol 111 (26) ◽  
pp. 7700-7710 ◽  
Author(s):  
Yong Wang ◽  
Devesh Kumar ◽  
Chuanlu Yang ◽  
Keli Han ◽  
Sason Shaik
Keyword(s):  
Cytochrome P450 ◽  
Isotope Effect ◽  
Kinetic Isotope Effect ◽  
Theoretical Study ◽  
Kinetic Isotope

Oxidation of Tertiary Amines by Cytochrome P450-Kinetic Isotope Effect as a Spin-State Reactivity Probe

2009 ◽  
Vol 15 (34) ◽  
pp. 8492-8503 ◽  
Author(s):  
Chunsen Li ◽  
Wei Wu ◽  
Kyung-Bin Cho ◽  
Sason Shaik
Keyword(s):  
Cytochrome P450 ◽  
Isotope Effect ◽  
Spin State ◽  
Kinetic Isotope Effect ◽  
Tertiary Amines ◽  
Kinetic Isotope

scholarly journals An experimental and theoretical study on the kinetic isotope effect of C2H6 and C2D6 reaction with OH

2015 ◽  
Vol 641 ◽  
pp. 158-162 ◽  
Author(s):  
Fethi Khaled ◽  
Binod Raj Giri ◽  
Milán Szőri ◽  
Béla Viskolcz ◽  
Aamir Farooq
Keyword(s):  
Isotope Effect ◽  
Kinetic Isotope Effect ◽  
Theoretical Study ◽  
Kinetic Isotope

Hydrogen—Deuterium Kinetic Isotope Effect, an Experimental and Theoretical Study over a Wide Range of Temperature

1962 ◽  
Vol 37 (7) ◽  
pp. 1541-1553 ◽  
Author(s):  
Terry E. Sharp ◽  
Harold S. Johnston
Keyword(s):  
Isotope Effect ◽  
Kinetic Isotope Effect ◽  
Theoretical Study ◽  
Kinetic Isotope ◽  
Wide Range ◽  
Hydrogen Deuterium

Theoretical study of deuterium kinetic isotope effect in peroxidation of phenol and toluene

2005 ◽  
Vol 320 (1) ◽  
pp. 1-8 ◽  
Author(s):  
Victor B. Luzhkov
Keyword(s):  
Isotope Effect ◽  
Kinetic Isotope Effect ◽  
Theoretical Study ◽  
Kinetic Isotope

scholarly journals Anomalously large kinetic isotope effect

2007 ◽  
Vol 5 (4) ◽  
pp. 1019-1063 ◽  
Author(s):  
David Krinkin
Keyword(s):  
Isotope Effect ◽  
Kinetic Isotope Effect ◽  
Theoretical Study ◽  
Chemical Elements ◽  
Isotope Effects ◽  
Isotope Separation ◽  
Negative Influence ◽  
Rate Theory ◽  
Kinetic Isotope ◽  
Primary Problem

AbstractActivated diffusion of water between macromolecules in swollen cellulose is accompanied by anomalously high kinetic isotope effects of oxygen. The separation factor of heavy-oxygen water (H218O /H216O) is thousands of permilles instead of tens of permilles according to modern Absolute Rate Theory. This anomalous separation under usual conditions is disguised by the opposing process of very fast equalization to equilibrium through water-filled cellulose pores. This process is quicker by approximately 3 orders of magnitude than diffusion through the cellulose body. As a consequence, this opposition-directed equalization virtually eliminates the results of isotope separation. To reveal this anomaly it is necessary to suppress equalization, which was the primary problem for both discovery of this anomaly and its investigation. The method of investigating the anomalous separation in cellulose was developed with suppression of this negative influence. Discussion of the theoretical nature of the anomalous kinetic isotope effect is presented. This theoretical study would probably permit the discovery and use for isotope separation of the anomalously high isotope effect for other chemical elements, in particular, for those heavier than oxygen.

Kinetic Isotope Effect is a Sensitive Probe of Spin State Reactivity in C−H Hydroxylation ofN,N-Dimethylaniline by Cytochrome P450

2006 ◽  
Vol 128 (2) ◽  
pp. 394-395 ◽  
Author(s):  
Chunsen Li ◽  
Wei Wu ◽  
Devesh Kumar ◽  
Sason Shaik
Keyword(s):  
Cytochrome P450 ◽  
Isotope Effect ◽  
Spin State ◽  
Kinetic Isotope Effect ◽  
Kinetic Isotope
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