Seven retention models have been selected to describe a dual-retention behavior of ten dopamine-related compounds on polymer-based monolithic stationary phase with zwitterion sulfobetaine functionality. Regression quality, as well as a statistical significance of individual regression parameters, have been evaluated. Better regression performance showed two four-parameter models when compared to three-parameter models. On the other hand, limited number of experimental points disqualified statistical robustness of four-parameter models. Among three-parameter models, retention description introduced by Horváth and Liang provided comparable quality of regression at significantly improved robustness. Multivariate analysis of the best three-parameter models provided the description of physicochemical properties of dopamine precursors and metabolites. Principal component analysis and logistic regression allowed structural characterization of dopamine-related compounds based solely on regression parameters extracted from an isocratic elution data. Both polarity and type of functional groups has been correctly assigned for 3-methoxytyramine that has not been part of an evaluation study. Among applied dual-retention models, Horváth´s model, initially developed to describe a retention of ionic compounds on nonpolar stationary phases, provided robust regression of experimental data and allowed an extraction of structural characteristics of dopamine-related compounds.

中文翻译：

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多巴胺相关化合物在具有两性离子官能团的整体固定相上的双重保留机制。

选择了七个保留模型来描述十个多巴胺相关化合物在具有两性离子磺基甜菜碱官能团的聚合物基整体固定相上的双重保留行为。评估了回归质量以及各个回归参数的统计显着性。与三参数模型相比，更好的回归性能显示出两个四参数模型。另一方面，数量有限的实验点使四参数模型的统计稳健性丧失了资格。在三参数模型中，Horváth和Liang引入的保留描述提供了相当可观的回归质量，同时显着提高了鲁棒性。最佳三参数模型的多变量分析提供了多巴胺前体和代谢物的理化性质的描述。主成分分析和逻辑回归仅基于从等度洗脱数据中提取的回归参数，即可对多巴胺相关化合物进行结构表征。极性和官能团类型均已正确分配给3-甲氧基酪胺，尚未纳入评估研究。在应用的双保留模型中，Horváth模型最初用于描述离子化合物在非极性固定相上的保留，提供了可靠的实验数据回归，并可以提取多巴胺相关化合物的结构特征。极性和官能团类型均已正确分配给3-甲氧基酪胺，尚未纳入评估研究。在应用的双保留模型中，Horváth模型最初用于描述离子化合物在非极性固定相上的保留，提供了可靠的实验数据回归，并可以提取多巴胺相关化合物的结构特征。极性和官能团类型均已正确分配给3-甲氧基酪胺，尚未纳入评估研究。在应用的双保留模型中，Horváth模型最初用于描述离子化合物在非极性固定相上的保留，提供了可靠的实验数据回归，并可以提取多巴胺相关化合物的结构特征。