Conjoint prediction of the retention of neutral and ionic compounds (phenols) in reversed-phase liquid chromatography using the solvation parameter model

The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship

“…The coefficients in eq 6 are found by multiple linear regression analysis, using a set of solutes for which the descriptors are known. There are numerous applications of eq 6 to physicochemical properties, both by ourselves [28][29][30][31][32][33][34][35][36][37][38][39][40][41][42][43][44][45][46][47] and by other workers, [48][49][50][51][52][53][54][55][56][57][58][59] so that eq 6 can be regarded as a well-established general equation. Tables 2 and 3 in ref 7.…”

Descriptors for ions and ion-pairs for use in linear free energy relationships

“…Bolliet et al [24] introduced into Eq. (1) an additional new descriptor, P, for acidic phenolic solutes defined as, P = (14 − pK * )/10 (2) where P = 0 for neutral solutes, Bolliet et al [24] also used another descriptor for acidic phenolic solutes, D, defined as…”

Prediction of the chromatographic retention of acid–base compounds in pH buffered methanol–water mobile phases in gradient mode by a simplified model

“…Some of them explain the behavior of neutral compounds in gradient mode and show several ways to predict their retention [1][2][3][4][5][6][7][8][9][10][11], others describe the isocratic retention of compounds with acid-base properties emphasizing the significance of the ionization degree of the analyte when predicting its retention [12][13][14][15], and there are some other studies that combine both the elution in gradient mode and the elution of ionizable compounds [16][17][18][19]. Combination of these two features is quite complex because the mobile phase * Corresponding author.…”