Supporting information

Article in ELECTROPHORESIS, Volume 28, Issue 13, pp. 2145-2152
Published Online: 2 Jul 2007

Kateřina Ušelová-Včeláková, Iva Zusková, Bohuslav Gaš:
Stability constants of amino acids, peptides, proteins, and other biomolecules determined by CE and related methods: Recapitulation of published data

Download of Table 2 as the Excel file

Sylabus přednášky z Fyzikální chemie I pro chemické obory

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Příklady z fyzikální chemie

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What are we engaged in?

Check our papers.

We are introducing PeakMaster 5.1

What is PeakMaster?

PeakMaster is a freeware program useful for people engaged in capillary zone electrophoresis. It predicts parameters of background electrolytes and analyte peaks.

How does PeakMaster work?

First you input the composition of the background electrolyte containing any number of constituents, which can be weak or strong acids or bases or amphoteric electrolytes like aminoacids or peptides. The maximum valence (either positive or negative) is four. The resulting BGE is allowed to be highly acidic or alkaline (usable pH range from 0 to 14).
Possibly you input the names of the analyte ions in the sample injected and some experimental characteristics of your equipment. PeakMaster includes a database based on Takeshi Hirokawa's tables with the data of many ions. PeakMaster further enables Onsager-Fuoss correction of mobilities for ionic strength and Debye-Hückel calculations of activity coefficients.
After clicking the Calculate button, PeakMaster performs the following actions:

it calculates BGE characteristics: pH, ionic strength, conductivity, buffer capacity, or concentrations of the individual ionic forms of BGE constituents,
it calculates electrophoretic characteristics of the analytes: effective mobility, dispersion tendency, signals in direct detection or conductivity detection or indirect UV detection,
it simulates electropherograms of a given mixture of analytes,
it calculates system eigenmobilities of the BGE. The system eigenmobilities are a problematic feature of the BGEs. The existence of system eigenmobilities indicates that certain entities in the electrophoretic system move with such mobilities in the driving electric field. Generally, none of the system eigenmobilities is exactly zero. At least one of the eigenmobilities is almost always very close to zero and is a cause for the injection zone (or water dip, or water gap). It must be, however, realized that the position of the injection zone is not equivalent to a position of an EOF neutral marker and in some BGEs it can even be substantially different. In such BGEs there is no injection zone that can serve as the marker of the EOF! In rather acidic or alkaline BGEs or in BGEs containing multiple coions or in BGEs with a multivalent co-constituent there are one or more eigenmobilities different from zero. System eigenmobilities cause either (i) the appearance of system peaks (system eigenpeaks) moving with the velocity corresponding to the eigenmobility, or (ii) the resonance phenomenon. Due to the resonance, it should be expected an amplified response of indirect UV detection or conductivity detection at the site of the analyte. The indirect signal of the analyte is then no more proportional to its quantity. Further, serious anomalous dispersion of the peak should be expected. We have published a series of papers dealing with these interesting phenomena (Stedry M, Jaros M, Gas B: J. Chromatogr. A 2002, 960, 187-198; Stedry M, Jaros M, Vcelakova K, Gas B: Electrophoresis 2003, 24, 536-547; Stedry, M, Jaros, M, Hruska, V, Gas, B: Electrophoresis 2004, 25, 3071-3079; Jaros M, Hruska V, Stedry M, Zuskova I, Gas B: Electrophoresis 2004, 25, 3080-3085).

PeakMaster allows

Optimization of the composition of background electrolyte to give enhanced detector sensitivity and sufficient resolution of analytes while still maintaining acceptable dispersive properties.

Features of PeakMaster

Computing algorithm is based on calculation of eigenvalues of a matrix tied to the linearized continuity equations.
The BGE can contain any number of constituents
The constituents of the BGE and analytes can be weak or strong acids or bases or amphoteric electrolytes
pH and buffer capacity of the BGE is calculated
Detection signals can be displayed as electropherograms
For depiction of electropherograms we utilize Haarhoff-van der Linde (HVL) function, so the peaks look close to reality.

Download PeakMaster 5.1

Microsoft Windows environment is needed to install and run PeakMaster.

Click here to download PeakMaster 5.1 in a self-extracting rar file (~ 0.7 MB). This file will copy 'Peakmaster.exe' and its belongings on your disk. Double click the downloaded file 'pm51.exe', choose destination directory to unpack, and then double click 'Peakmaster.exe' in the newly created 'Peakmaster 5.1' subdirectory.
Important note for users of the previous version PeakMaster 5: If you modified your database of constituents in PeakMaster 5 and wish to transfer the database to PeakMaster 5.1, then before deleting PeakMaster 5 you must back-up the 'peakmaster.dbc' file from the PeakMaster 5 directory and after extracting PeakMaster 5.1 overwrite the 'peakmaster.dbc' file in the newly created PeakMaster 5.1 directory with it.

We are introducing PeakMaster 5.3 NEW

PeakMaster is a freeware program useful for people engaged in capillary zone electrophoresis. It predicts parameters of background electrolytes and analyte peaks. Version 5.3 enhances abilities of PeakMaster 5.1 and enables to calculate amplitudes and shapes of system peaks.

Download PeakMaster 5.3

Microsoft Windows environment is needed to install and run PeakMaster.

Click here to download PeakMaster 5.3 as the packed zip file. The program is packed in the file 'PeakMaster 5.3 Release 2011.zip'. After downloading and unpacking, copy the directory 'PeakMaster 5.3 Release 2011' to the position you wish to have it. Double click the 'PeakMaster.exe' to run it.

We are introducing Simul 5 Complex NEW

What is Simul?

Simul is a freeware program which performs simulation of the movement of ions in liquid solutions in the electric field. It solves sets of nonlinear partial differential equations and nonlinear algebraic equations describing the continuity of ionic movement and acid-base equilibria.
Simul is useful for people engaged in electromigration separation methods, e.g. capillary electrophoresis and isotachophoresis.

What are typical uses of Simul

To simulate experimental runs and optimize separation conditions (buffers, injection) you utilize, either in capillary zone electrophoresis or isotachophoresis or isoelectric focusing.
To inspect or explain unusual phenomena observed in experiments: system peaks (zones), overshoots, peak distortion.
To inspect stacking and preconcentrating analytes, resonance phenomena.
To show to students how electrophoresis works.

Features of Simul 5 Complex

Mathematical model of electromigration accounts for any number of multivalent electrolytes or ampholytes
Simul 5 Complex includes a database based on Takeshi Hirokawa's tables with the data of many ions. Simul enables Onsager-Fuoss correction of mobilities for ionic strength and Debye-Hückel calculations of activity coefficients.
Complexation mode of the Simul 5 Complex enables to simulate electrophoretic separations in systems with complexation agents such as, e.g., cyclodextrins, so it enables to simulate enantioseparation in electrophoresis.

Click here to download Simul 5 Complex as the packed zip file. The program needs Windows environment. The program is packed in the file 'Simul_5_Complex_Release_2011.zip'. After downloading and unpacking, copy the directory 'Simul 5 Complex Release 2011' to the position you wish to have it. Double click the 'Simul 5.exe' tu run the simulator.