title: Rapid prediction and optimization of concentration conditions for preparative fractions by solid-phase extraction.
abstract: SPE is an effective tool for concentrating preparative fractions isolated from a complex sample. To guarantee high efficiency and recovery of concentration, the concentration conditions could be optimized by predicting the breakthrough volume (V(B)). In this study, a method of predicting V(B )of unknown compounds in preparative fractions at any isocratic mobile phase composition with the analytical retention parameters a and c is described. The a and c values and the relationship between half peak width (W(1/2)) and retention time of a model analyte were measured using the analytical elution mode on an SPE column, and the V(B )and retention volume (V(R)) predicted with the a and c values were validated with breakthrough experiments. However, it is impossible to measure the a and c values of multiple compounds in a complex system directly on an SPE column with a low number of theoretical plates. The correlation of the a and c values between the SPE and analytical columns was developed so that the analytical data could be transferred to the SPE column. With the calculated a and c values, we could optimize the concentration conditions on the basis of the predicted V(B )and the volume of the preparative fraction.
authors.affiliation: Dalian Institute of Chemical Physics, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Dalian, China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Jin
authors.forename: Xing-ya
authors.initials: XY
authors.lastname: Xue
authors.forename: Fei-fang
authors.initials: FF
authors.lastname: Zhang
authors.forename: Jing
authors.initials: J
authors.lastname: Zhang
authors.forename: Hui
authors.initials: H
authors.lastname: Shi
authors.forename: Yuan-sheng
authors.initials: YS
authors.lastname: Xiao
authors.forename: Yan-xiong
authors.initials: YX
authors.lastname: Ke
authors.forename: Xin-miao
authors.initials: XM
authors.lastname: Liang
mesh_terms: D002851:Chromatography, High Pressure Liquid; D007700:Kinetics; D008956:Models, Chemical; D011237:Predictive Value of Tests; D052616:Solid Phase Extraction; D021241:Spectrometry, Mass, Electrospray Ionization