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The kinetic isotope effect in the search for deuterated drugs
Drug News & Perspectives, 2010The kinetic isotope effect has long been exploited by physical organic chemists to study reaction mechanisms due to its effect on reaction rates when cleavage of a C-isotope bond is rate determining. Medicinal chemists have also used the deuterium kinetic isotope effect to slow the cytochrome P450 metabolism of the deuterated versions of drug ...
Liming Shao, Michael C Hewitt
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Kinetic Isotope Effects on Dehalogenations at an Aromatic Carbon
Environmental Science & Technology, 2008In order to interpret the observed isotopic fractionation it is necessaryto understand its relationship with the isotope effect(s) on steps that occur during the conversion of the initial reactant to the final product. We examine this relationship from the biochemical point of view and elaborate on the consequences of the assumptions that it is based ...
Rafał Kamiński +5 more
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Kinetic Isotope Effects on Chemical Reactions
2009This chapter describes a number of examples of kinetic isotope effects on chemical reactions of different types (simple gas phase reactions, SN2 and E reactions in solution and in the gas phase, α and β secondary isotope effects, etc.). These examples are used to illustrate many aspects of the measurement, interpretation, and theoretical calculation of
W. Alexander Van Hook +2 more
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The kinetic isotope effect in the rearrangement of neopentylchlorocarbene
Tetrahedron Letters, 1993Abstract The kinetic isotope effect for the 1,2∼H/1,2∼D shift of neopentylchlorocarbene ranges from 2.5–3.5.
Weiguo Liu +3 more
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Kinetic isotope effects calculated with the instanton method
Journal of Computational Chemistry, 2011AbstractThe ring‐opening reaction of the cyclopropylcarbinyl radical proceeds via heavy‐atom tunneling at low temperature. We used instanton theory to calculate tunneling rates and kinetic isotope effects with on‐the‐fly calculation of energies by density functional theory (B3LYP).
Judith B. Rommel +2 more
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A kinetic isotope effect in the tricyanovinylation of dimethylaniline
Tetrahedron Letters, 1964A kinetic isotope effect was observed in the rate of formation of the final product of the reaction between tricyanoethylene and dimethylaniline and its deutero-derivatives that was consistent with the mechanism proposed by Rappoport (J. Chem. Soc., 4498, 1963)). Investigations of the mechanism of reactions between dialkylanilines and tritcyanoethylene
P.G. Farrell, J. Newton
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6 Kinetic Isotope Effects in Enzymic Reactions
1970During the conversion of one molecule to another, new bonds are formed, old bonds broken, and other bonds experience changes, either transient or permanent, in their hybridization. Isotopic substitution can have a profound influence on the energetics of these bonding changes.
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Chlorine Kinetic Isotope Effects on Enzymatic Dehalogenations
Accounts of Chemical Research, 2002Enzymatic dehalogenation reactions are important for the bioremediation of the environment because of the increasing anthropogenic pollution with halogen-containing organic compounds. Chlorine kinetic isotope effects have been measured for four hydrolytic dehalogenases.
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The kinetic isotope effect for alkane dehydrocyclization
1996Abstract The dehydrocyclization of a mixture of n -octane-d 18 and n -octane-d 0 are consistent with a mechanism that includes irreversible adsorption of the n-octane and a rate limiting step that involves a kinetic isotope effect of 3.5 ± 0.4 at 482°C.
Burtron H. Davis, Buchang Shi
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Fluorine kinetic isotope effects
Journal of the American Chemical Society, 1993Olle Matsson +3 more
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