statistical assessment of solvent mixture models used for separation of biological active compounds统计评估溶剂的混合模型用于生物活性化合物的分离.pdf

Molecules 2008, 13, 1617-1639; DOI: 10.3390/molecule OPEN ACCESS molecules ISSN 1420-3049 /molecules Article Statistical Assessment of Solvent Mixture Models Used for Separation of Biological Active Compounds 1,2, 2 3 2 Sorana D. Bolboacă *, Elena M. Pică , Claudia V. Cimpoiu and Lorentz Jäntschi 1 “Iuliu Haţieganu” University of Medicine and Pharmacy Cluj-Napoca, Department of Medical Informatics and Biostatistics, 6 Louis Pasteur, 400349 Cluj-Napoca, Romania. 2 Technical University of Cluj-Napoca, 103-105 Muncii Bvd, 400641 Cluj-Napoca, Romania; E-mails: pica@chimie.utcluj.ro, lori@chimie.utcluj.ro. 3 “Babeş-Bolyai” University, Department of Analytical Chemistry, 11 Arany Janos, 400028 Cluj- Napoca, Romania; E-mail: ccimpoiu@chem.ubbcluj.ro. * Author to whom correspondence should be addressed; E-mail: sbolboaca@umfcluj.ro; Tel.: +4-0264-431697; Fax: +4-0264-593847. Received: 23 May 2008; in revised form: 7 August 2008 / Accepted: 7 August 2008 / Published: 11 August 2008 Abstract: Two mathematical models with seven and six parameters have been created for use as methods for identification of the optimum mobile phase in chromatographic separations. A series of chromatographic response functions were proposed and implemented in order to assess and validate the models. The assessment was performed on a set of androstane isomers. Pearson, Spearman, Kendall tau-a,b,c and Goodman-Kruskal