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Separations 2017, 4(4), 33; doi:10.3390/separations4040033

Quantitative Explanation of Retention Mechanisms of Hydrophobic and Hydrophilic-Interaction Liquid Chromatography-Inductive Effect of Alkyl Chain

Research Institute for Production Development 4F 15 Simogamomorimoto-cho, Sakyo-ku, Kyoto 606-0805 Japan
Received: 28 September 2017 / Revised: 18 October 2017 / Accepted: 25 October 2017 / Published: 7 November 2017
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Abstract

The basic retention mechanisms of reversed-phase and hydrophilic-interaction liquid chromatography (HILIC) were quantitatively analyzed using simple molecular mechanics (MM) calculations. The model bonded phases were composed of an alkyl chain bonded to siloxane-like molecules. The head of the alkyl chain was a hydroxyl group, used to study retention mechanisms of HILIC. The standard analytes were benzoic acid, aniline, benzene, water, and acetonitrile. The molecular interaction (MI) energy values of the van der Waals (VW) force were predominant for the reversed-phase chromatography, and those of hydrogen bonding (HB) were predominant for HILIC. Up to 5 units of methylene affected the MI. View Full-Text
Keywords: retention mechanism; hydrophobic interaction; hydrophilic interaction; inductive effect of alkyl chain; computational chemistry retention mechanism; hydrophobic interaction; hydrophilic interaction; inductive effect of alkyl chain; computational chemistry
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Hanai, T. Quantitative Explanation of Retention Mechanisms of Hydrophobic and Hydrophilic-Interaction Liquid Chromatography-Inductive Effect of Alkyl Chain. Separations 2017, 4, 33.

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