Ar. Timerbaev et al., CORRELATION-ANALYSIS IN LIQUID-CHROMATOGRAPHY OF METAL-CHELATES .3. MULTIDIMENSIONAL MODELS IN REVERSED-PHASE LIQUID-CHROMATOGRAPHY, Journal of chromatography, 648(2), 1993, pp. 307-314
A number of multiparametric retention models for metal chelates in rev
ersed-phase high-performance liquid chromatography (RP-HPLC) were deve
loped and compared. The most significant structural descriptors of the
chelates and mobile phase parameters were selected with the help of o
ne-dimensional correlation analysis performed in this and previously p
ublished papers of this series. Log k' values for metal di-n-alkyldith
iophosphates used as test solutes were determined using a C18 column a
nd dioxane as organic modifier and subjected to multiple regression an
alysis. The predictive ability of the resulting multiparametric regres
sion equations was evaluated in terms of their statistical significanc
e. The most meaningful retention model is described by the linear regr
ession equation log k' = 0.716 + (0.236 +/- 0.010)n(C) - (0.040 +/- 0.
018)E(n) - (0.048 +/- 0.003)c + (0.029 +/- 0.010)Z (R = 0.976; S. D. =
0.111), where n(C) is the carbon number, E(n) is the orbital electron
egativity of the metal atom, c is the volume concentration of the orga
nic modifier and Z is the parameter of proton-donating ability of the
mobile phase. The results confirm the modern representations of the se
paration mechanism for metal chelates of moderate polarity in RP-HPLC,
present rather valuable sets of solute structural descriptors and elu
ent parameters to approximate the experimental retention values and op
en new possibilities in the application of multivariate statistical me
thods to interpret a large number of chromatographic data.