Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State

Several kinetic models for the macrocyclization of a C2 pseudopeptide with a dihalide through a SN2 reaction have been developed. These models not only focus on the kinetic analysis of the main macrocyclization reaction, but also consider the competitive oligomerization/polymerization processes yiel...

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Main Authors: Vicente Martí-Centelles, M. Isabel Burguete, Santiago V. Luis
Format: Article
Language:English
Published: Wiley 2012-01-01
Series:The Scientific World Journal
Online Access:http://dx.doi.org/10.1100/2012/748251
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author Vicente Martí-Centelles
M. Isabel Burguete
Santiago V. Luis
author_facet Vicente Martí-Centelles
M. Isabel Burguete
Santiago V. Luis
author_sort Vicente Martí-Centelles
collection DOAJ
description Several kinetic models for the macrocyclization of a C2 pseudopeptide with a dihalide through a SN2 reaction have been developed. These models not only focus on the kinetic analysis of the main macrocyclization reaction, but also consider the competitive oligomerization/polymerization processes yielding undesired oligomeric/polymeric byproducts. The effect of anions has also been included in the kinetic models, as they can act as catalytic templates in the transition state reducing and stabilizing the transition state. The corresponding differential equation systems for each kinetic model can be solved numerically. Through a comprehensive analysis of these results, it is possible to obtain a better understanding of the different parameters that are involved in the macrocyclization reaction mechanism and to develop strategies for the optimization of the desired processes.
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record_format Article
series The Scientific World Journal
spelling doaj-art-00d7e82343e342f78f671d0e125b61462025-02-03T01:30:54ZengWileyThe Scientific World Journal1537-744X2012-01-01201210.1100/2012/748251748251Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition StateVicente Martí-Centelles0M. Isabel Burguete1Santiago V. Luis2Departamento de Química Inorgánica y Orgánica, Universitat Jaume I, E12071 Castellón de la Plana, SpainDepartamento de Química Inorgánica y Orgánica, Universitat Jaume I, E12071 Castellón de la Plana, SpainDepartamento de Química Inorgánica y Orgánica, Universitat Jaume I, E12071 Castellón de la Plana, SpainSeveral kinetic models for the macrocyclization of a C2 pseudopeptide with a dihalide through a SN2 reaction have been developed. These models not only focus on the kinetic analysis of the main macrocyclization reaction, but also consider the competitive oligomerization/polymerization processes yielding undesired oligomeric/polymeric byproducts. The effect of anions has also been included in the kinetic models, as they can act as catalytic templates in the transition state reducing and stabilizing the transition state. The corresponding differential equation systems for each kinetic model can be solved numerically. Through a comprehensive analysis of these results, it is possible to obtain a better understanding of the different parameters that are involved in the macrocyclization reaction mechanism and to develop strategies for the optimization of the desired processes.http://dx.doi.org/10.1100/2012/748251
spellingShingle Vicente Martí-Centelles
M. Isabel Burguete
Santiago V. Luis
Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State
The Scientific World Journal
title Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State
title_full Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State
title_fullStr Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State
title_full_unstemmed Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State
title_short Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State
title_sort kinetic analysis for macrocyclizations involving anionic template at the transition state
url http://dx.doi.org/10.1100/2012/748251
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