BECAS
GERLERO Gabriel Santiago
congresos y reuniones científicas
Título:
PeakMaster 6 - Free affinity capillary electrophoresis simulator
Autor/es:
MICHAL MALÝ; GABRIEL GERLERO; MAGDA DOVHUNOVÁ; PAVEL DUBSKÝ; PABLO A. KLER
Lugar:
Río de Janeiro
Reunión:
Simposio; 34th International Symposium on Microscale Separations and Bioanalysis; 2018
Resumen:
Capillary zone electrophoresis (CZE) is an ubiquitous separation method used widely in many fields of chemistry and chemical industry. One of its many advantages is the completely resolved mathematical model of electromigration that allowed for development of many software tools that can predict behavior of a particular chemical system and aid with development and optimization of electromigration-based separation methods. Whereas most of the current tools such as GENTRANS, Simul and SPRESSO perform a full simulation by means of solving a set of partial differential equations PeakMaster solves a linearized form of the model of electromigration whose applicability is limited to CZE setups. The linearized model requires considerably less computation time to solve (seconds as opposed to at least tens of minutes) and provides a unique insight into behavior of CZE systems.PeakMaster 6 represents recent advancement in the linear theory of electromigration. Theoretical model implemented in the PeakMaster computation engine includes a very general model of complexation equilibria. The model can describe a system with arbitrary amount of complexing components in a general scheme. Although there are some limitations to what kind of of complexes can be described by the model it is still general enough to describe any practical ACE system. The model is also more general than those implemented in GENTRANS and Simul that are currently limited to only one ligand interacting with multiple compounds in 1:1 ratio.