title: Prediction of retention in reversed-phase liquid chromatography by means of the polarity parameter model.
abstract: The polarity parameter model previously developed: log k=(log k)(0) + p(P(m)(N) - P(s)(N)) has been successfully applied to study several chromatographic systems involving new generation RPLC columns (Luna C18, Resolve C18, XTerra MSC18, and XTerra RP18). In this model the retention of the solutes (log k) is related to a solute parameter (p), a mobile phase parameter (P(m)(N)) and two chromatographic system parameters [P(s)(N) and (log k)(0)]. The studied systems have been characterized with different acetonitrile-water and methanol-water mobile phases, using a set of 12 neutral solutes of different chemical nature. The polarity parameter model allows prediction of retention of any solute in any mobile phase composition just using the retention data obtained in one percentage of organic modifier and the polarity parameters established in the characterization of the chromatographic systems. This model also allows the solute polarity data transference between RPLC characterized systems, so it is possible to predict the retention in various RPLC systems working experimentally with just one of them. Moreover, the global solvation parameter model has also been applied to the same chromatographic systems using a wide set of solutes in order to compare its predictive ability with the one of the polarity parameter model. The results clearly show that both models predict retention with very similar accuracy but the polarity parameter model requires much less preliminary experimental measurements to achieve equivalent results than the global solvation approach.
authors.affiliation: Departament de Química Analítica and Institut de Biomedicina (IBUB), Universitat de Barcelona, Martí i Franquès 1, E-08028 Barcelona, Spain.
authors.forename: Elisabet
authors.initials: E
authors.lastname: Lázaro
authors.forename: Pere
authors.initials: P
authors.lastname: Izquierdo
authors.forename: Clara
authors.initials: C
authors.lastname: Ràfols
authors.forename: Martí
authors.initials: M
authors.lastname: Rosés
authors.forename: Elisabeth
authors.initials: E
authors.lastname: Bosch
mesh_terms: D000097:Acetonitriles / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid / Q000295:instrumentation* / Q000379:methods; D000432:Methanol / Q000737:chemistry; D008956:Models, Chemical; D008962:Models, Theoretical; D009930:Organic Chemicals / Q000737:chemistry; D012997:Solvents / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D000097:Acetonitriles; D009930:Organic Chemicals; D012997:Solvents; D014867:Water; D000432:Methanol; C032159:acetonitrile