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In silico screening of two-dimensional separation selectivity for ion chromatography × capillary electrophoresis separation of low molecular- mass organic acids

Citation

Ranjbar, L and Talebi, M and Haddad, PR and Park, SH and Cabot, JM and Zhang, M and Smejkal, P and Foley, JP and Breadmore, MC, In silico screening of two-dimensional separation selectivity for ion chromatography capillary electrophoresis separation of low molecular- mass organic acids, Analytical Chemistry, 89, (17) pp. 8808-8815. ISSN 0003-2700 (2017) [Refereed Article]


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DOI: doi:10.1021/acs.analchem.7b01187

Abstract

A prerequisite for ordered two-dimensional (2D) separations and full utilisation of the enhanced 2D peak capacity is selective exploitation of the sample attributes, described as sample dimensionality. In order to take sample dimensionality into account prior to optimisation of a 2D separation, a new concept based on construction of 2D separation selectivity maps is proposed and demonstrated for ion chromatography × capillary electrophoresis (IC×CE) separation of low-molecular-mass organic acids as test analytes. For this purpose, 1D separation selectivity maps were constructed based on calculation of pairwise separation factors and identification of critical pairs for four IC stationary phases and 28 levels of background electrolyte pH in CE. The derived IC and CE maps were then superimposed and the effectiveness of the respective 2D separations assessed using an in silico approach, followed by testing examples of one successful and one unsuccessful 2D combination experimentally. The results confirmed the efficacy of the predictions, which require a minimal number of experiments compared to the traditional one-at-a-time approach. Following the same principles, the proposed framework can also be adapted for optimisation of separation selectivity in various 2D combinations and for other applications.

Item Details

Item Type:Refereed Article
Keywords:two-dimensional (2D) separations, simulation, chromatography, organic acids
Research Division:Chemical Sciences
Research Group:Analytical Chemistry
Research Field:Instrumental Methods (excl. Immunological and Bioassay Methods)
Objective Division:Expanding Knowledge
Objective Group:Expanding Knowledge
Objective Field:Expanding Knowledge in the Chemical Sciences
Author:Ranjbar, L (Ms Leila Ranjbar Shourabi)
Author:Talebi, M (Dr Mohammad Talebi)
Author:Haddad, PR (Professor Paul Haddad)
Author:Park, SH (Ms Soo Park)
Author:Cabot, JM (Mr Joan Cabot Canyelles)
Author:Zhang, M (Dr Min Zhang)
Author:Smejkal, P (Dr Petr Smejkal)
Author:Foley, JP (Professor Joe Foley)
Author:Breadmore, MC (Professor Michael Breadmore)
ID Code:120108
Year Published:2017
Deposited By:Chemistry
Deposited On:2017-08-10
Last Modified:2017-09-19
Downloads:0

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