CEval: All-in-one software for data processing and statistical evaluations in affinity capillary electrophoresis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F16%3A10325134" target="_blank" >RIV/00216208:11310/16:10325134 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.chroma.2016.04.004" target="_blank" >http://dx.doi.org/10.1016/j.chroma.2016.04.004</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.chroma.2016.04.004" target="_blank" >10.1016/j.chroma.2016.04.004</a>
Alternative languages
Result language
angličtina
Original language name
CEval: All-in-one software for data processing and statistical evaluations in affinity capillary electrophoresis
Original language description
We introduce CEval software (downloadable for free at echmet.natur.cuni.cz) that was developed for quicker and easier electrophoregram evaluation and further data processing in (affinity) capillary electrophoresis. This software allows for automatic peak detection and evaluation of common peak parameters, such as its migration time, area, width etc. Additionally, the software includes a nonlinear regression engine that performs peak fitting with the Haarhoff-van der Linde (HVL) function, including automated initial guess of the HVL function parameters. HVL is a fundamental peak-shape function in electrophoresis, based on which the correct effective mobility of the analyte represented by the peak is evaluated. Effective mobilities of an analyte at various concentrations of a selector can be further stored and plotted in an affinity CE mode. Consequently, the mobility of the free analyte, mu(A), mobility of the analyte-selector complex, mu(AS), and the apparent complexation constant, K', are first guessed automatically from the linearized data plots and subsequently estimated by the means of nonlinear regression. An option that allows two complexation dependencies to be fitted at once is especially convenient for enantioseparations. Statistical processing of these data is also included, which allowed us to: i) express the 95% confidence intervals for the mu(A), mu(AS), and K' least-squares estimates, ii) do hypothesis testing on the estimated parameters for the first time. We demonstrate the benefits of the CEval software by inspecting complexation of tryptophan methyl ester with two cyclodextrins, neutral heptakis(2,6-di-O-methyl)-beta-CD and charged heptakis(6-O-sulfo)-beta-CD.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chromatography A
ISSN
0021-9673
e-ISSN
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Volume of the periodical
1445
Issue of the periodical within the volume
1445
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
8
Pages from-to
158-165
UT code for WoS article
000375630900019
EID of the result in the Scopus database
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