文献类型：期刊文献

英文题名：An Improved Subtraction Model Applied in Supercritical Fluid Chromatography to Characterize Polar Stationary Phases

作者：Ge, Dandan[1]; Lu, Jiahao[1]; Yu, Zimo[1]; Jin, Yu[1]; Ke, Yanxiong[1]; Fu, Qing[1]; Liang, Xinmiao[1,2]

机构：[1] Engineering Research Center of Pharmaceutical Process Chemistry, Ministry of Education, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China; [2] Key Lab of Separation Science for Analytical Chemistry, Key Lab of Natural Medicine, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Liaoning Province, Dalian, 116023, China

年份：2024

外文期刊名：SSRN

收录：EI(收录号：20240175150)

语种：英文

外文关键词：Effluent treatment - Hydrophobicity - Silica - Supercritical fluids

摘要：An improved subtraction model was proposed in this study to characterize the polar stationary phases in supercritical fluid chromatography (SFC). Fifteen stationary phases were selected, including two types of aromatic columns, Waters Torus and Viridis series columns, as well as silica and amino columns. Ethylbenzene and Torus 1-AA were respectively defined as the reference solute and column. Identifying the interaction with the maximum contribution to retention in SFC separation and using it as the initial term is a key step in modeling. The dipole or induced dipole interaction ([[EQUATION]]) replaced the hydrophobic interaction ([[EQUATION]]) to be the starting term. The improved model was expressed as [[EQUATION]], where a term [[EQUATION]] indicating anion exchange interaction was intentionally supplemented. A 7-step modeling process, including bidirectional fitting and residual analysis, was proposed. The obtained column parameters had reasonable physical significance with the adjusted determination coefficient (R2adj) greater than 0.999. Methodological validation was further performed using other four columns and 12 solutes that were not involved in the modeling. It showed good predictions of solutes’ retention, as demonstrated by R2adj from 0.9923 to 0.9979. This study showed the feasibility of using the improved subtraction model to characterize polar stationary phases in SFC, with the most crucial being the determination of an initial term, followed by the addition of a new descriptor and the selection of an appropriate reference column. It expanded the application scope of the subtraction model in SFC, which will help to gain a deeper understanding of the SFC separation mechanism. ? 2024, The Authors. All rights reserved.