Prediction of retention in hydrophilic interaction liquid chromatography using solute molecular descriptors based on chemical structures

Taraji, Maryam; Haddad, Paul R.; Amos, Ruth; Talebi, Mohammad; Szücs, Roman; Dolan, John W.; Pohl, Christopher A.

doi:10.1016/j.chroma.2016.12.025

Cited by 47 publications

(34 citation statements)

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“…Haddad and co-workers [82] developed QSSR models to predict the retention of analytes on 5 HILIC stationary phases (bare silica, amine, amide, diol, zwitterionic). Acclaim HILIC-10 amide column was used in this study.…”

Section: More Sophisticated Modelling Approachesmentioning

confidence: 99%

Understanding and manipulating the separation in hydrophilic interaction liquid chromatography

McCalley

2017

Journal of Chromatography A

189

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Section: More Sophisticated Modelling Approachesmentioning

confidence: 99%

Understanding and manipulating the separation in hydrophilic interaction liquid chromatography

McCalley

2017

Journal of Chromatography A

189

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“…Such models regularly require several initial experimental runs, which make this approach time-consuming. Recently some quantitative structure-retention relationship (QSRR) based approaches were also reported for HILIC method development and retention prediction [3,[17][18][19]. In these studies, retention modeling was restricted to small molecules.…”

Section: Introductionmentioning

confidence: 99%

Analysis of recombinant monoclonal antibodies in hydrophilic interaction chromatography: A generic method development approach

Bobály

D’Atri

Beck³

et al. 2017

Journal of Pharmaceutical and Biomedical Analysis

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a b s t r a c tHydrophilic interaction liquid chromatography (HILIC) is a well-established technique for the separation and analysis of small polar compounds. A recently introduced widepore stationary phase expanded HILIC applications to larger molecules, such as therapeutic proteins. In this paper, we present some generic HILIC conditions adapted for a wide range of FDA and EMA approved recombinant monoclonal antibody (mAb) species and for an antibody-drug conjugate (ADC). Seven approved mAbs possessing various isoelectric point (pI) and hydrophobicity as well as a cysteine conjugated ADC were used in this study. Samples were digested by IdeS enzyme and digests were further fragmented by chemical reduction. The resulting fragments were separated by HILIC. The main benefit of HILIC was the separation of polar variants (glycovariants) in a reasonable analysis time at the protein level, which is not feasible with other chromatographic modes. Three samples were selected and chromatographic conditions were further optimized to maximize resolution. A commercial software was used to build up retention models. Experimental and predicted chromatograms showed good agreement and the average error of retention time prediction was less than 2%. Recovery of various species and sample stability under the applied conditions were also discussed.

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“…191 Furthermore, a quantitative structure retention relationship (QSRR) were also developed to predict the retention times on five different HILIC phases to select the most suitable column. 192 To overcome the problem of HILIC retention modeling, Tyteca et al…”

Section: Automated Tools For Methods Development In Chromatographymentioning

confidence: 99%

Recent Advances in Chromatography for Pharmaceutical Analysis

et al. 2018

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Prediction of retention in hydrophilic interaction liquid chromatography using solute molecular descriptors based on chemical structures

Cited by 47 publications

References 50 publications

Understanding and manipulating the separation in hydrophilic interaction liquid chromatography

Understanding and manipulating the separation in hydrophilic interaction liquid chromatography

Analysis of recombinant monoclonal antibodies in hydrophilic interaction chromatography: A generic method development approach

Recent Advances in Chromatography for Pharmaceutical Analysis

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