Simultaneous optimization of mobile phase composition and pH using retention modeling and experimental design

Rácz, Norbert; Molnár, Imre; Zöldhegyi, Arnold; Rieger, Hans-Jürgen; Kormány, Róbert

doi:10.1016/j.jpba.2018.07.054

Cited by 20 publications

(6 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…179 In this way, the optimal conditions in a wide design space can be easily found. 182 A similar approach was used for terazosin impurity profiling using MSsupported peak tracking. An old pharmacopeia method (requiring 90 min of analysis) has been re-worked, and finally, a 5 min long UHPLC separation has been proposed.…”

Section: Automated Tools For Methods Development In Chromatographymentioning

confidence: 99%

Recent Advances in Chromatography for Pharmaceutical Analysis

et al. 2018

View full text Add to dashboard Cite

Section: Automated Tools For Methods Development In Chromatographymentioning

confidence: 99%

Recent Advances in Chromatography for Pharmaceutical Analysis

et al. 2018

View full text Add to dashboard Cite

“…The optimization of a chromatographic condition could take a long time for the analyst, and could cause wasted solvents and samples. Thus, the association of automated LC scouting system and the use of DryLab ® software for the DoE parameters and to predict the optimized chromatographic conditions has become an interesting workflow for getting high chromatographic efficiency in short analysis time, which can overcome these drawbacks (Krisko et al, 2006;Racz et al, 2018;Guichard et al, 2019;Radic et al, 2020).…”

Section: Development Of the Chromatographic Conditionsmentioning

confidence: 99%

An LC-MS/MS method for quantitation of methylparaben, benzophenone, and pharmaceutical compounds from domestic wastewater

Barreiro

Florentino²,

Furlani³

et al. 2022

Front. Anal. Sci.

View full text Add to dashboard Cite

An analytical method was developed to quantify a mixture of acetaminophen, metoprolol, methylparaben, carbamazepine, naproxen, estrone, estradiol, diclofenac, benzophenone, ibuprofen, progesterone, and mefenamic acid from domestic wastewater samples. To match fast and efficient chromatographic separation for different classes of compounds, an automated scouting liquid chromatographic system was associated with the experimental design produced by the DryLab® software. HLB cartridges were used to extract the analytes from the sample matrix, which was followed by detection and quantitation by liquid chromatography-tandem mass spectrometry (LC-MS/MS). The lowest detection limits were found for acetaminophen and carbamazepine (0.625 pg L−1) and metoprolol (0.4 pg L−1).

show abstract

“…The main advantage of employing an "enhanced approach" through software-assisted method development is acquiring an understanding of the process through the identification of critical method parameters (CMPs or ECs) and critical quality attributes (CQAs), which are essential for establishing a control strategy. There are numerous examples from recent years about the applicability of experimental design-based retention modeling in chromatographic method development and optimization using both empirical-model-based, statistical- [2,4,[12][13][14][15][16][17][18][19][20][21] and theoretical-model-based, or mechanistic [8,[22][23][24][25][26] approaches.…”

Section: Introductionmentioning

confidence: 99%

The Applicability of Chromatographic Retention Modeling on Chiral Stationary Phases in Reverse-Phase Mode: A Case Study for Ezetimibe and Its Impurities

Ferencz,

Kelemen,

Obreja

et al. 2023

IJMS

Self Cite

View full text Add to dashboard Cite

Mechanistic modeling is useful for predicting and modulating selectivity even in early chromatographic method development. This approach is also in accordance with current analytical quality using design principles and is highly welcomed by the authorities. The aim of this study was to investigate the separation behavior of two different types of chiral stationary phases (CSPs) for the separation of ezetimibe and its related substances using the mechanistic retention modeling approach offered by the Drylab software (version 4.5) package. Based on the obtained results, both CSPs presented with chemoselectivity towards the impurities of ezetimibe. The cyclodextrin-based CSP displayed a higher separation capacity and was able to separate seven related substances from the active pharmaceutical ingredient, while the cellulose-based column enabled the baseline resolution of six impurities from ezetimibe. Generally, the accuracy of predicted retention times was lower for the polysaccharide CSP, which could indicate the presence of additional secondary interactions between the analytes and the CSP. It was also demonstrated that the combination of mechanistic modeling and an experimental design approach can be applied to method development on CSPs in reverse-phase mode. The applicability of the methods was tested on spiked artificial placebo samples, while intraday and long-term (2 years) method repeatability was also challenged through comparing the obtained retention times and resolution values. The results indicated the excellent robustness of the selected setpoints. Overall, our findings indicate that the chiral columns could offer orthogonal selectivity to traditional reverse-phase columns for the separation of structurally similar compounds.

show abstract

Simultaneous optimization of mobile phase composition and pH using retention modeling and experimental design

Cited by 20 publications

References 25 publications

Recent Advances in Chromatography for Pharmaceutical Analysis

Recent Advances in Chromatography for Pharmaceutical Analysis

An LC-MS/MS method for quantitation of methylparaben, benzophenone, and pharmaceutical compounds from domestic wastewater

The Applicability of Chromatographic Retention Modeling on Chiral Stationary Phases in Reverse-Phase Mode: A Case Study for Ezetimibe and Its Impurities

Contact Info

Product

Resources

About