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
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 simulationSource:
Journal of Separation Science, 2014, 37, 14, 1797-1804Publisher:
- Wiley-VCH Verlag GMBH, Weinheim
Funding / projects:
- Modelling of different chromatographic systems with chemometrical approach in pharmaceutical analysis (RS-MESTD-Basic Research (BR or ON)-172052)
DOI: 10.1002/jssc.201400206
ISSN: 1615-9306
PubMed: 24798430
WoS: 000339669700011
Scopus: 2-s2.0-84904471836
Collections
Institution/Community
PharmacyTY - 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 . .