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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F14%3A10284530%21RIV15-MSM-11310___
rdf:type
n12:Vysledek skos:Concept
rdfs:seeAlso
http://dx.doi.org/10.1016/j.chroma.2014.08.070
dcterms:description
In this paper we determine acid dissociation constants, limiting ionic mobilities, complexation constants with beta-cyclodextrin or heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin, and mobilities of resulting complexes of profens, using capillary zone electrophoresis and affinity capillary electrophoresis. Complexation parameters are determined for both neutral and fully charged forms of profens and further corrected for actual ionic strength and variable viscosity in order to obtain thermodynamic values of complexation constants. The accuracy of obtained complexation parameters is verified by multidimensional nonlinear regression of affinity capillary electrophoretic data, which provides the acid dissociation and complexation parameters within one set of measurements, and by NMR technique. A good agreement among all discussed methods was obtained. Determined complexation parameters were used as input parameters for simulations of electrophoretic separation of profens by Simul 5 Complex. An excellent agreement of experimental and simulated results was achieved in terms of positions, shapes, and amplitudes of analyte peaks, confirming the applicability of Simul 5 Complex to complex systems, and accuracy of obtained physical-chemical constants. Simultaneously, we were able to demonstrate the influence of electromigration dispersion on the separation efficiency, which is not possible using the common theoretical approaches, and predict the electromigration order reversals of profen peaks. We have shown that determined acid dissociation and complexation parameters in combination with tool Simul 5 Complex software can be used for optimization of separation conditions in capillary electrophoresis. In this paper we determine acid dissociation constants, limiting ionic mobilities, complexation constants with beta-cyclodextrin or heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin, and mobilities of resulting complexes of profens, using capillary zone electrophoresis and affinity capillary electrophoresis. Complexation parameters are determined for both neutral and fully charged forms of profens and further corrected for actual ionic strength and variable viscosity in order to obtain thermodynamic values of complexation constants. The accuracy of obtained complexation parameters is verified by multidimensional nonlinear regression of affinity capillary electrophoretic data, which provides the acid dissociation and complexation parameters within one set of measurements, and by NMR technique. A good agreement among all discussed methods was obtained. Determined complexation parameters were used as input parameters for simulations of electrophoretic separation of profens by Simul 5 Complex. An excellent agreement of experimental and simulated results was achieved in terms of positions, shapes, and amplitudes of analyte peaks, confirming the applicability of Simul 5 Complex to complex systems, and accuracy of obtained physical-chemical constants. Simultaneously, we were able to demonstrate the influence of electromigration dispersion on the separation efficiency, which is not possible using the common theoretical approaches, and predict the electromigration order reversals of profen peaks. We have shown that determined acid dissociation and complexation parameters in combination with tool Simul 5 Complex software can be used for optimization of separation conditions in capillary electrophoresis.
dcterms:title
Determination of thermodynamic values of acidic dissociation constants and complexation constants of profens and their utilization for optimization of separation conditions by Simul 5 Complex Determination of thermodynamic values of acidic dissociation constants and complexation constants of profens and their utilization for optimization of separation conditions by Simul 5 Complex
skos:prefLabel
Determination of thermodynamic values of acidic dissociation constants and complexation constants of profens and their utilization for optimization of separation conditions by Simul 5 Complex Determination of thermodynamic values of acidic dissociation constants and complexation constants of profens and their utilization for optimization of separation conditions by Simul 5 Complex
skos:notation
RIV/00216208:11310/14:10284530!RIV15-MSM-11310___
n3:aktivita
n16:I n16:P
n3:aktivity
I, P(GP14-19278P), P(GP203/06/P261)
n3:cisloPeriodika
October 17
n3:dodaniDat
n17:2015
n3:domaciTvurceVysledku
n4:3984702 n4:4401301 n4:3324923 n4:9348336 n4:5129680 n4:3899896
n3:druhVysledku
n13:J
n3:duvernostUdaju
n20:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
10853
n3:idVysledku
RIV/00216208:11310/14:10284530
n3:jazykVysledku
n14:eng
n3:klicovaSlova
Cyclodextrin; Simulations; Acid dissociation constants; Complexation constants; Affinity capillary electrophoresis; Profen
n3:klicoveSlovo
n7:Simulations n7:Acid%20dissociation%20constants n7:Profen n7:Cyclodextrin n7:Affinity%20capillary%20electrophoresis n7:Complexation%20constants
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[E5447DC0E248]
n3:nazevZdroje
Journal of Chromatography A
n3:obor
n11:CB
n3:pocetDomacichTvurcuVysledku
6
n3:pocetTvurcuVysledku
6
n3:projekt
n15:GP203%2F06%2FP261 n15:GP14-19278P
n3:rokUplatneniVysledku
n17:2014
n3:svazekPeriodika
1364
n3:tvurceVysledku
Ušelová, Kateřina Riesová, Martina Tošner, Zdeněk Svobodová, Jana Gaš, Bohuslav Zusková, Iva
n3:wos
000343359200031
s:issn
0021-9673
s:numberOfPages
13
n5:doi
10.1016/j.chroma.2014.08.070
n18:organizacniJednotka
11310