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Software Tools for Optimization of Background Electrolytes in Electrophoresis
Hruška, Vlastimil ; Gaš, Bohuslav (advisor) ; Gebauer, Petr (referee) ; Kašička, Václav (referee)
7. Results The aim of my PhD. thesis was development of software tools for optimization of background electÍolytes in electrophoresis, study of system peak and general theory of electromigration. During my study I cooperated on the programming of the program PeakMaster 5 and I implemented theory of amplitudes to it (PeakMaster 5.2). The main subject of my work was development of the program Simul 5. During my study I added several new features, which significantly improved is capabilities and fields of applications. Both prcgrams are often used at many universities all over the world. Especially, program PeakMaster is very popular among wide range of users thank to its fast calculation of pH with very good ionic strength correction. Funher, I cooperated on finding of some reď systems, whose prediction was based on linearization of electromigration problem and properties of system peal6 such as discovery of oscillating electrolytes, systems without stationary system zones (without regulation functions) or urilization of system peaks in micellar electrophoresis for determination of CMC of micelles. . .!r ! Li-a.. --,;ared in the following qhaBlers.
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Mathematical modelling of linear and nonlinear phenomena in capillary electrophoresis
Dvořák, Martin ; Dubský, Pavel (advisor) ; Kašička, Václav (referee) ; Gebauer, Petr (referee)
Capillary electrophoresis is one of the prominent analytical separation methods. Currently, many computer programs exist which are able to predict the result of an electrophoretic experiment. Firstly, there are programs based on numerical solving of corresponding continuity equations and equations of chemical equilibria. Secondly, there are programs based on approximative models of capillary electrophoresis. Programs belonging to the first group are applicable to a wide range of modes of capillary electrophoresis and provide a precise solution. Their disadvantage is though a considerable time demand. On the other hand, the approximative models give the results almost immediately and, in addition, provide some theoretical relationships which are useful for optimization of the separation process. This dissertation thesis is focused on improvement and extension of validity of existing approximative models of capillary electrophoresis. As a part of this thesis, a model capable of a full-blown description of capillary electrokinetic chromatography is introduced. This model is implemented into program PeakMaster 6. The attention is also paid to a nonlinear model of electromigration without diffusion. This model enables a very good description of electromigration dispersion including effects related to...
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Software Tools for Optimization of Background Electrolytes in Electrophoresis
Hruška, Vlastimil ; Gaš, Bohuslav (advisor) ; Gebauer, Petr (referee) ; Kašička, Václav (referee)
7. Results The aim of my PhD. thesis was development of software tools for optimization of background electÍolytes in electrophoresis, study of system peak and general theory of electromigration. During my study I cooperated on the programming of the program PeakMaster 5 and I implemented theory of amplitudes to it (PeakMaster 5.2). The main subject of my work was development of the program Simul 5. During my study I added several new features, which significantly improved is capabilities and fields of applications. Both prcgrams are often used at many universities all over the world. Especially, program PeakMaster is very popular among wide range of users thank to its fast calculation of pH with very good ionic strength correction. Funher, I cooperated on finding of some reď systems, whose prediction was based on linearization of electromigration problem and properties of system peal6 such as discovery of oscillating electrolytes, systems without stationary system zones (without regulation functions) or urilization of system peaks in micellar electrophoresis for determination of CMC of micelles. . .!r ! Li-a.. --,;ared in the following qhaBlers.
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Dynamic Enantioseparation in Capillary Zone Electrophoresis
Dubský, Pavel ; Gaš, Bohuslav (advisor) ; Kašička, Václav (referee) ; Gebauer, Petr (referee)
12 4 CONCLUSION In the framework of my Ph.D. study, software EvalChir was developed for evaluation of elution profiles from dynamic enantioseparation. Further our previously developed simulation software SimulChir was extended by an iterative algorithm to be able to fit the experimental peak profiles by simulated ones and to find out the apparent rate constant of interconversion. Both the programs form complex solution for fast and easy evaluation of data obtained from dynamic enantioseparation techniques. A new method for determination of all four rate constants of interconversion involved in the true scheme (Figure 1A) was designed. In this way, the apparent thermodynamics is resolved back to the true one and an influence of a CS on the rate of interconversion can newly be studied. We verified this technique experimentally. A multi-CS enantioseparative system was described considering interaction of a chiral analyte with any arbitrary mixture of CSs. The model indicates that any multi-CS system may be formally treated as if only one CS was present there with some overall distribution constant, overall limit mobility and overall rate constant of interconversion of an enantiomer with respect to the mixture of CSs as a whole. The exact composition of the mixture even does not need to be known at all. On the...
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System zones in capillary electrophoresis
Riesová, Martina ; Gaš, Bohuslav (advisor) ; Kašička, Václav (referee) ; Gebauer, Petr (referee)
Martina Riesová Abstract of Ph.D. Thesis Capillary electrophoresis is a method of choice in many analytical laboratories for its high separation efficiency, rapidity, low consumption of chemicals and therefore low costs. Inherent to each electrophoretic separation system are system peaks, which can significantly affect or confuse the electrophoretic results. In capillary zone electrophoresis, position of system zones can be predicted easily and reliably by means of prediction software based on a theoretical description of electromigration. However, the prediction of only position of a system zone may not be sufficient for identification of system peaks in obtained electropherograms. Therefore, an existing theoretical model was significantly extended and new version of PeakMaster software (PeakMaster 5.3) was introduced in the framework of this thesis. PeakMaster 5.3 enables to predict not only the positions of system zones, but also their shapes and polarity. Thus, PeakMaster 5.3 improves the prediction possibility of overlapping or interaction of system peaks with analyte peaks. Moreover, composition of the sample can be optimized in order to obtain convenient shapes and amplitudes of system peaks. The applicability of capillary zone electrophoresis can be extended by addition of a complexation agent into...
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