Retention prediction of analytes in reversed-phase high-performance liquid chromatography based on molecular structure

Modeling the retention behavior of analytes in RPLC with mixed solvent mobile phases using Jouyban-Acree and Abraham models

“…The results were shown in Fig. ( 4) and (5). Better scattering of the data around the regression line and also higher coefficients of determinations of the proposed models revealed that eqn ( 8) and ( 9) provide better predictions when compared with eqn ( 10) and (11).…”

“…Another independent variable affecting these constants could be the nature of the solvated stationary phase, however we considered this variable as a constant since all data were collected using a single stationary phase. Therefore, the Jouyban-Acree model could be represented as eqn (4) in which a, b and W terms are the model constants. The numerical values of these terms could be computed by regressing log k m against…”

“…In an attempt to overcome this problem many efforts have been made in order to predict the retention factor as the most important variables governing the separations, and some models were developed. [1][2][3][4][5][6][7][8][9][10][11] Among these, the models which are based on linear free energy relationships (LFER) have been used over two decades to study solute retention in RPLC. Vitha and Carr 12 reviewed the applications of these models and evaluated the different chemical interactions which affect the retention and selectivity in chromatographic separations.…”

“…Purospher RP-18e, SymmetrySheild RP-C 18 and SymmeteryShield RP-C 8 columns. Careful examination of these MPDs revealed that the proposed model could provide acceptable calculations for other types of stationary phases as the average of overall MPDs of these columns was 22.9%.Fig (1). shows the relative frequency of IPDs of the calculated k m data listed in Table1, sorted into four subgroups,…”

Characterization of stationary phases based on monosubstituted benzene retention indices using correspondence factor analysis and linear solvation energy relationships in RPLC

“…The retention factors (k) are without doubt the most frequently applied retention parameters used in QSRR studies to provide insights into the retention mechanism and understanding the types and relative strengths of chemical interactions controlling retention and selectivity in LC [23,24]. The retention indices offer considerably better intra-and interlaboratory reproducibility than retention factors with small changes in the chromatographic conditions and have been used in QSRRs studied in RPLC [25][26][27].…”