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气相色谱中二元固定相保留的化学计量学研究

Chemometric study of retention on binary stationary phases in gas chromatography.

作者信息

Bouzouane S, Righezza M, Touabet A

机构信息

Faculté de Chimie, Laboratoire d'Analyse Organique Fonctionnelle, Université des Sciences et de la Technologie Houari Boumediene USTHB, B.P. 32, El Alia, Bab Ezzouar, Algeria.

出版信息

J Chromatogr Sci. 2012 Feb;50(2):137-44. doi: 10.1093/chromsci/bmr030.

Abstract

Using gas chromatography, data analysis is performed on a dataset consisting of 486 retention indices, 27 standards (ramified alkanes, aliphatic alcohols, and aromatic compounds), 6 pure and binary stationary phases, and three temperatures. The behavior of the pure stationary phases (OV-3, OV-225, OV-61-OH, and OV-1701-OH) and the binary stationary phases (OV-3/OV-225 and OV-61-OH/OV-1701-OH) at different temperatures (60°C-100°C) is investigated with factor and topological analysis. The influence of temperature and the nature of the mixed stationary phases on the retention indices is studied by correspondence factor analysis (CFA). The non-additivity of the retention properties of the pure phases used as mixed phases is clearly established by CFA. The topological analysis of the substituent's effect is investigated with a DARC/PELCO procedure and shows the particular influence of the stationary phase composition on the retention. The substituent effect is measured for the pure and binary stationary phases at various temperatures. The evolution of the substituent effect from the pure stationary phases to the binary phases is discussed.

摘要

使用气相色谱法,对一个数据集进行数据分析,该数据集由486个保留指数、27种标准品(支链烷烃、脂肪醇和芳香族化合物)、6种纯固定相和二元固定相以及三个温度组成。通过因子分析和拓扑分析研究了纯固定相(OV-3、OV-225、OV-61-OH和OV-1701-OH)以及二元固定相(OV-3/OV-225和OV-61-OH/OV-1701-OH)在不同温度(60°C - 100°C)下的行为。通过对应因子分析(CFA)研究温度和混合固定相的性质对保留指数的影响。CFA明确证实了用作混合相的纯相保留特性的非加和性。使用DARC/PELCO程序研究了取代基效应的拓扑分析,结果表明固定相组成对保留有特殊影响。在不同温度下对纯固定相和二元固定相的取代基效应进行了测量。讨论了取代基效应从纯固定相到二元相的演变。

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