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Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State
- Source :
- The Scientific World Journal, Vol 2012 (2012), Repositori Universitat Jaume I, Universitat Jaume I, The Scientific World Journal
- Publication Year :
- 2012
- Publisher :
- Hindawi Limited, 2012.
-
Abstract
- Several kinetic models for the macrocyclization of aC2pseudopeptide with a dihalide through aSN2reaction 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.
- Subjects :
- Anions
Reaction mechanism
Article Subject
Differential equation
Kinetics
Macrocyclization
Transition state
lcsh:Medicine
Kinetic energy
lcsh:Technology
Catalysis
General Biochemistry, Genetics and Molecular Biology
Reaccions químiques
Computational chemistry
Organic chemistry
lcsh:Science
General Environmental Science
lcsh:T
Chemistry
Cinètica química
lcsh:R
Química analítica
General Medicine
Models, Theoretical
Kinetic analysis
Template
Polymerization
Cyclization
SN2 reaction
lcsh:Q
Research Article
Subjects
Details
- ISSN :
- 1537744X
- Volume :
- 2012
- Database :
- OpenAIRE
- Journal :
- The Scientific World Journal
- Accession number :
- edsair.doi.dedup.....193ab5d572ebf4e40fba61e51ab668c1