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Kinetic isotope effects and how to describe them [PDF]
Structural Dynamics, 2017 We review several methods for computing kinetic isotope effects in chemical reactions including semiclassical and quantum instanton theory. These methods describe both the quantization of vibrational modes as well as tunneling and are applied to the ⋅H + H2 and ⋅H + CH4 reactions.
Karandashev, Konstantin +4 more
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Impact of kinetic isotope effects in isotopic studies of metabolic systems [PDF]
BMC Systems Biology, 2015 Isotope labeling experiments (ILEs) are increasingly used to investigate the functioning of metabolic systems. Some enzymes are subject to kinetic isotope effects (KIEs) which modulate reaction rates depending on the isotopic composition of their substrate(s).
Pedro Mendes +5 more
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Kinetic Isotope Effects in Asymmetric Reactions [PDF]
Chemistry – A European Journal, 2010 AbstractKinetic isotope effects are exquisitely sensitive probes of transition structure. As such, kinetic isotope effects offer a uniquely useful probe for the symmetry‐breaking process that is inherent to stereoselective reactions. In this Concept article, we explore the role of steric and electronic effects in stereocontrol, and we relate these ...
Thomas Giagou, Matthew P. Meyer
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Isotopic Effect on the Kinetics of the Belousov-Zhabotinsky Reaction [PDF]
International Journal of Molecular Sciences, 2007 In this work we present results about the deuterium isotope effect on the globalkinetics of a Belousov-Zhabotinsky reaction in batch conditions. A nonlinear dependenceof the Induction Period upon the percentage of deuterated reactants was found. The isotopiceffect on the bromination reaction of malonic acid was evaluated.
Rossi, F. +3 more
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Nature, 1972 Isotope Effects in Chemical Reactions . Edited by Clair J. Collins and Newell S. Bowman. Pp. xi + 435. (Van Nostrand Reinhold: London, August 1971.) £11.25.
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Enzymatic Single-Molecule Kinetic Isotope Effects [PDF]
Journal of the American Chemical Society, 2013 Ensemble-based measurements of kinetic isotope effects (KIEs) have advanced physical understanding of enzyme-catalyzed reactions, but controversies remain. KIEs are used as reporters of rate-limiting H-transfer steps, quantum mechanical tunnelling, dynamics and multiple reactive states.
Pudney, Christopher R. +5 more
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Kinetic 15N-isotope effects on algal growth [PDF]
Scientific Reports, 2017 AbstractStable isotope labeling is a standard technique for tracing material transfer in molecular, ecological and biogeochemical studies. The main assumption in this approach is that the enrichment with a heavy isotope has no effect on the organism metabolism and growth, which is not consistent with current theoretical and empirical knowledge on ...
Andriukonis, Eivydas,, Gorokhova, Elena,
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Quantum-instanton evaluation of the kinetic isotope effects [PDF]
The Journal of Chemical Physics, 2005 A general quantum-mechanical method for computing kinetic isotope effects is presented. The method is based on the quantum-instanton approximation for the rate constant and on the path-integral Metropolis–Monte Carlo evaluation of the Boltzmann operator matrix elements.
Vanicek, Jiri +3 more
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Isotopic Effect on the Kinetic of Thermal Denaturation of Ceruloplasmin
Zeitschrift für Naturforschung C, 1985 Abstract The kinetics of thermal denaturation of ceruloplasmin in water and in water with different percentage of D20 in the temperature range 25 - 85 °C, following the optical density change of the 610 nm charge transfer band of the protein has been investigated.
SPORTELLI, Luigi +2 more
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Kinetic Isotope Effect in the Hydrogenation and Deuteration of Graphene
Advanced Functional Materials, 2012 AbstractTime‐dependent photoemission spectroscopy is employed to study the kinetics of the hydro‐genation/deuteration reaction of graphene. Resulting in an unusual kinetic isotope effect, the graphene deuteration reaction proceeds faster than hydrogenation and leads to substantially higher maximum coverages of deuterium (D/C≈35% vs H/C≈25%).
Paris, A. +17 more
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