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Testing the capability of a polynomial-modified gaussian model in the description and simulation of chromatographic peaks of amlodipine and its impurity in ion-interaction chromatography

Authorized Users Only
2014
Authors
Colović, Jelena
Vemić, Ana
Kostić, Nada
Malenović, Anđelija
Medenica, Mirjana
Article (Published version)
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Abstract
In this paper, the capability of a polynomial-modified Gaussian model to relate the peak shape of basic analytes, amlodipine, and its impurity A, with the change of chromatographic conditions was tested. For the accurate simulation of real chromatographic peaks the authors proposed the three-step procedure based on indirect modeling of peak width at 10% of peak height (W-0.1), individual values of left-half width (A) and right-half width (B), number of theoretical plates (N), and tailing factor (Tf). The values of retention factors corresponding to the peak beginning (k(B)), peak apex (k(A)), peak ending (k(E)), and peak heights (H-0) of the analytes were directly modeled. Then, the investigated experimental domain was divided to acquire a grid of appropriate density, which allowed the subsequent calculation of W-0.1, A, B, N, and Tf. On the basis of the predicted results for Tf and N, as well as the defined criteria for the simulation the following conditions were selected: 33% aceton...itrile/67% aqueous phase (55 mM perchloric acid, pH 2.2) at 40 degrees C column temperature. Perfect agreement between predicted and experimental values was obtained confirming the ability of polynomial modified Gaussian model and three-step procedure to successfully simulate the real chromatograms in ion-interaction chromatography.

Keywords:
Indirect modeling / Ion-interaction chromatography / Modified Gaussian model / Peak shape simulation
Source:
Journal of Separation Science, 2014, 37, 14, 1797-1804
Publisher:
  • Wiley-VCH Verlag GMBH, Weinheim
Funding / projects:
  • Modelling of different chromatographic systems with chemometrical approach in pharmaceutical analysis (RS-172052)

DOI: 10.1002/jssc.201400206

ISSN: 1615-9306

PubMed: 24798430

WoS: 000339669700011

Scopus: 2-s2.0-84904471836
[ Google Scholar ]
4
2
URI
https://farfar.pharmacy.bg.ac.rs/handle/123456789/2092
Collections
  • Radovi istraživača / Researchers’ publications
Institution/Community
Pharmacy
TY  - JOUR
AU  - Colović, Jelena
AU  - Vemić, Ana
AU  - Kostić, Nada
AU  - Malenović, Anđelija
AU  - Medenica, Mirjana
PY  - 2014
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2092
AB  - In this paper, the capability of a polynomial-modified Gaussian model to relate the peak shape of basic analytes, amlodipine, and its impurity A, with the change of chromatographic conditions was tested. For the accurate simulation of real chromatographic peaks the authors proposed the three-step procedure based on indirect modeling of peak width at 10% of peak height (W-0.1), individual values of left-half width (A) and right-half width (B), number of theoretical plates (N), and tailing factor (Tf). The values of retention factors corresponding to the peak beginning (k(B)), peak apex (k(A)), peak ending (k(E)), and peak heights (H-0) of the analytes were directly modeled. Then, the investigated experimental domain was divided to acquire a grid of appropriate density, which allowed the subsequent calculation of W-0.1, A, B, N, and Tf. On the basis of the predicted results for Tf and N, as well as the defined criteria for the simulation the following conditions were selected: 33% acetonitrile/67% aqueous phase (55 mM perchloric acid, pH 2.2) at 40 degrees C column temperature. Perfect agreement between predicted and experimental values was obtained confirming the ability of polynomial modified Gaussian model and three-step procedure to successfully simulate the real chromatograms in ion-interaction chromatography.
PB  - Wiley-VCH Verlag GMBH, Weinheim
T2  - Journal of Separation Science
T1  - Testing the capability of a polynomial-modified gaussian model in the description and simulation of chromatographic peaks of amlodipine and its impurity in ion-interaction chromatography
VL  - 37
IS  - 14
SP  - 1797
EP  - 1804
DO  - 10.1002/jssc.201400206
ER  - 
@article{
author = "Colović, Jelena and Vemić, Ana and Kostić, Nada and Malenović, Anđelija and Medenica, Mirjana",
year = "2014",
abstract = "In this paper, the capability of a polynomial-modified Gaussian model to relate the peak shape of basic analytes, amlodipine, and its impurity A, with the change of chromatographic conditions was tested. For the accurate simulation of real chromatographic peaks the authors proposed the three-step procedure based on indirect modeling of peak width at 10% of peak height (W-0.1), individual values of left-half width (A) and right-half width (B), number of theoretical plates (N), and tailing factor (Tf). The values of retention factors corresponding to the peak beginning (k(B)), peak apex (k(A)), peak ending (k(E)), and peak heights (H-0) of the analytes were directly modeled. Then, the investigated experimental domain was divided to acquire a grid of appropriate density, which allowed the subsequent calculation of W-0.1, A, B, N, and Tf. On the basis of the predicted results for Tf and N, as well as the defined criteria for the simulation the following conditions were selected: 33% acetonitrile/67% aqueous phase (55 mM perchloric acid, pH 2.2) at 40 degrees C column temperature. Perfect agreement between predicted and experimental values was obtained confirming the ability of polynomial modified Gaussian model and three-step procedure to successfully simulate the real chromatograms in ion-interaction chromatography.",
publisher = "Wiley-VCH Verlag GMBH, Weinheim",
journal = "Journal of Separation Science",
title = "Testing the capability of a polynomial-modified gaussian model in the description and simulation of chromatographic peaks of amlodipine and its impurity in ion-interaction chromatography",
volume = "37",
number = "14",
pages = "1797-1804",
doi = "10.1002/jssc.201400206"
}
Colović, J., Vemić, A., Kostić, N., Malenović, A.,& Medenica, M.. (2014). Testing the capability of a polynomial-modified gaussian model in the description and simulation of chromatographic peaks of amlodipine and its impurity in ion-interaction chromatography. in Journal of Separation Science
Wiley-VCH Verlag GMBH, Weinheim., 37(14), 1797-1804.
https://doi.org/10.1002/jssc.201400206
Colović J, Vemić A, Kostić N, Malenović A, Medenica M. Testing the capability of a polynomial-modified gaussian model in the description and simulation of chromatographic peaks of amlodipine and its impurity in ion-interaction chromatography. in Journal of Separation Science. 2014;37(14):1797-1804.
doi:10.1002/jssc.201400206 .
Colović, Jelena, Vemić, Ana, Kostić, Nada, Malenović, Anđelija, Medenica, Mirjana, "Testing the capability of a polynomial-modified gaussian model in the description and simulation of chromatographic peaks of amlodipine and its impurity in ion-interaction chromatography" in Journal of Separation Science, 37, no. 14 (2014):1797-1804,
https://doi.org/10.1002/jssc.201400206 . .

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