Table 5.
QSRR models, based on Equation (1), describing the retention of tryptophan and its major metabolites for each chromatographic column using the other column as a reference one.
| Three-Parameter QSRR Model | ||||||||
|---|---|---|---|---|---|---|---|---|
| EVO | Gemini | |||||||
| MDs/tR(R) | G1 | G2 | G3 | G4 | G1 | G2 | G3 | G4 |
| pKa1 | 0.15 ± 0.27 | −0.07 ± 0.21 | 0.42 ± 0.28 | −0.03 ± 0.26 | −0.33 ± 0.23 | −0.08 ± 0.26 | −0.37 ± 0.11 | −0.08 ± 0.34 |
| pKa2 | −0.20 ± 0.33 | 0.08 ± 0.21 | −0.82 ± 0.45 | 0.08 ± 0.19 | 0.46 ± 0.26 | 0.13 ± 0.26 | 0.70 ± 0.14 | 0.08 ± 0.25 |
| logP | −0.31 ± 0.68 | 0.50 ± 0.49 | −1.61 ± 0.82 | 0.82 ± 0.60 | 0.82 ± 0.57 | −0.13 ± 0.68 | 1.33 ± 0.26 | −0.54 ± 0.91 |
| tR(R) | 0.90 ± 0.21 | 0.72 ± 0.18 | 1.44 ± 0.35 | 0.69 ± 0.17 | 0.91 ± 0.22 | 1.11 ± 0.28 | 0.56 ± 0.14 | 1.17 ± 0.28 |
| 0.6/0.9/0.9 1 | 0.6/1.2/1.0 1 | 0.5/0.7/0.7 1 | 1.0/1.5/1.6 1 | 0.6/1.0/0.9 1 | 0.7/1.6/1.3 1 | 0.3/0.6/0.5 1 | 1.2/2.4/2.0 1 | |
1 Average absolute difference of experimental and calculated tR/Maximum absolute difference of experimental and calculated tR/Standard error of the estimate SEE.