Pappa-Louisi A, Nikitas P, Papageorgiou A
Laboratory of Physical Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.
J Chromatogr A. 2007 Sep 28;1166(1-2):126-34. doi: 10.1016/j.chroma.2007.08.016. Epub 2007 Aug 10.
The multilinear gradient elution theory for binary mobile phases in reversed-phase liquid chromatography presented in [P. Nikitas, A. Pappa-Louisi, A. Papageorgiou, J. Chromatogr. A 1157 (2007) 178] is extended to ternary gradients. For the evaluation of this theory and the performance of the various fitting and optimisation algorithms we used 13 o-phthalaldehyde (OPA) derivatives of amino acids with mobile phases modified by acetonitrile and methanol. It is shown that the theory can lead to high quality predictions of the retention times under gradients elutions and optimisation of ternary gradients provided that we use a six-parameter expression for the logarithm of the retention factor, lnk, and the adjustable parameters of this expression are determined from ternary isocratic data.
[P. Nikitas, A. Pappa-Louisi, A. Papageorgiou, J. Chromatogr. A 1157 (2007) 178]中提出的反相液相色谱中二元流动相的多线性梯度洗脱理论被扩展到三元梯度。为了评估该理论以及各种拟合和优化算法的性能，我们使用了13种氨基酸的邻苯二甲醛（OPA）衍生物，流动相由乙腈和甲醇改性。结果表明，只要我们使用保留因子lnk对数的六参数表达式，并且该表达式的可调参数由三元等度数据确定，该理论就能对梯度洗脱下的保留时间进行高质量预测，并实现三元梯度的优化。
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