Article citationsMore>>
Turano, A., Furey, W., Pletcher, J., Sax, M., Pike, D. and Kluger, R. (1982) Synthesis and crystal structure of an analogue of 2-(α-lactyl)thiamin, racemic methyl 2-hydroxy-2-(2-thiamin)ethylphosphonate chloride trihydrate. A conformation for a least-motion, maximum-overlap mechanism for thiamin catalysis. Journal of the American Chemical Society, 104, 3089-3095.
doi:10.1021/ja00375a024
has been cited by the following article:
-
TITLE:
A potential energy profile of the catalytic cycle of pyruvate decarboxylase
AUTHORS:
Cristinenrichetta Borriglione, Carlo Canepa
KEYWORDS:
Pyruvate Decarboxylase; Mechanism
JOURNAL NAME:
Natural Science,
Vol.4 No.11,
November
28,
2012
ABSTRACT: A computational study on the mechanism for the decarboxylation of pyruvic acid to acetaldehyde catalyzed by pyruvate decarboxylase at the B3LYP/6-31G (d, p) level of theory is presented. The model employed is self-contained and it does not resort to external groups to provide protons to the various structures in the mechanism. The potential energy surface points at the intramolecular proton transfer from the amino group of the pyrimidine ring in the enamine intermediate to the enol exocyclic carbon as the rate-determining step (with a barrier of 20.55 kcal·mol–1). This value is in reasonable agreement with an estimated barrier of 24.76 kcal·mol–1, derived from the experimental rate constant (4.0 10–5 s–1) for the decarboxylation of α-lactylthiamin.
Related Articles:
-
Yi-Chen Chan, Abdussalam Salhin Mohamed Ali, Melati Khairuddean, Ching-Kheng Quah
-
Qi Shi, Jinyang Yu, Zhengwei Song, Xiaozhen Kang
-
Yi-Chen Chan, Abdussalam Salhin Mohamed Ali, Melati Khairuddean, Baharuddin Salleh
-
Wei Zhao, Yun Wang, Aijian Wang
-
Mahjouba Ben Nasr, Erwann Jeanneau, Chérif Ben Nasr