Table 1.
Comparison between approaches to calculate the diffusion self-interaction parameter (kD) of peptide-12 in (Approach Ac) acetate buffer, pH 4.5, and (Approach Ph) in phosphate buffer, pH 6.0. In order to ensure comparability of the kD, the diffusion coefficients were submitted to a Grubbs’ test. Detected outliers were excluded from the dataset and not used for the kD calculations. The average intra-plate coefficient of variation (CV) was obtained by averaging the individual CV. The total averaged kD, including 34 kD obtained by 8 approaches (A–H), is shown in the right column. “# data points (single kD)” describes the number of sample replicates with regards to each concentration for the single kD determination (e.g., 6 replicates at 5 concentrations = 30 data points). “Span kD” is defined as percentage difference between the considered kD and total averaged kD.
| Approach Ac | |||||||||
| A | B | C | D | E | F | G | H | Av. | |
| Average kD (mL/g) | 59.8 | 56.3 | 55.6 | 57.4 | 57.1 | 54.7 | 56.4 | 55.7 | 57.0 |
| SD kD (mL/g) | 5.4 | 3.8 | 0.9 | 6.0 | 8.1 | 4.8 | 5.2 | 5.2 | 5.1 |
| # single kD | 8 | 2 | 4 | 4 | 4 | 4 | 4 | 4 | 34 |
| # data points (single kD) | 30 | 120 | 64/56 | 64/56 | 30 | 30 | 60 | 60 | n.a. |
| CV (%) | 9.0 | 6.8 | 1.6 | 10.4 | 14.1 | 8.7 | 9.2 | 9.4 | 8.9 |
| Span kD (%) | 25.8 | 9.1 | 3.7 | 21.0 | 24.5 | 17.9 | 16.9 | 20.6 | 39.2 |
| Approach Ph | |||||||||
| A | B | C | D | E | F | G | H | Av. | |
| Average kD (mL/g) | −14.8 | −15.6 | −14.5 | −14.7 | −14.1 | −15.8 | −14.7 | −14.5 | −14.8 |
| SD kD (mL/g) | 2.5 | 0.6 | 2.0 | 2.3 | 2.9 | 1.6 | 2.0 | 1.5 | 2.0 |
| # single kD | 8 | 2 | 4 | 4 | 4 | 4 | 4 | 4 | 34 |
| # data points (single kD) | 30 | 120 | 64/56 | 64/56 | 30 | 30 | 60 | 60 | n.a. |
| CV (%) | 16.8 | 4.0 | 13.5 | 15.6 | 20.4 | 10.2 | 13.7 | 10.6 | 13.4 |
| Span kD (%) | 37.6 | 5.4 | 26.7 | 30.8 | 33.2 | 22.2 | 26.7 | 19.7 | 37.6 |