Skip to main content
. 2021 Jun 22;11:13034. doi: 10.1038/s41598-021-91519-2

Table 2.

Medians of parameter estimates for half-lives (DT50s) and retardation coefficients R of selected parent compounds and respective inter quartile ranges (in brackets) on Flowpaths a, b, c and d of Flume 1, as well as average root mean square errors (RMSE).

Compound Retardation coefficient R [–] Half-life DT50 [h] RMSE
a b c d a b c d average
1H-Benzotriazole 1.76 (1.14) 1.91 (0.22) 1.90 (0.11) 1.41 (0.09) 53.5 (39.5) 97.3 (42.8) 287 (208) Inf 0.464
Acesulfame 1.10 (0.13) 1.00 (0.00) 1.00 (0.00) 1.00 (0.01) 6.63 (0.58) 36.6 (2.45) 54.0 (3.34) 54.4 (5.65) 1.498
Bezafibrate 1.09 (0.14) 1.01 (0.02) 1.28 (0.03) 1.05 (0.05) 7.43 (1.05) 36.9 (4.29) 87.5 (13.7) 92.4 (25.9) 0.962
Carbamazepine 2.63 (1.31) 1.61 (0.11) 1.98 (0.06) 1.39 (0.07) 49.0 (39.4 106 (39.2) 284.6(196) 85.1 (26.6) 0.839
Clofibric acid 2.53 (0.84) 1.02 (0.02) 1.17 (0.02) 1.23 (0.04) Inf Inf Inf Inf 0.904
Diclofenac 5.05 (1.11) 1.39 (0.09) 1.11 (0.03) 1.17 (0.05) Inf 44.3 (5.15) 139 (29.9) 142 (53.0) 0.913
Furosemide 7.58 (9.09) 1.17 (0.28) 1.42 (0.16) 1.26 (0.16) Inf 37.0 (10.8) 163 (125) Inf 2.547
Gemfibrozil 2.62 (0.61) 1.12 (0.07) 1.35 (0.03) 1.31 (0.03) Inf 154 (39.8) 273 (76.6) 196 (71.3) 0.278
Hydrochlorothiazide 1.29 (0.44) 1.13 (0.08) 1.41 (0.04) 1.21 (0.03) Inf Inf Inf Inf 0.733
Ibuprofen 5.62 (5.04) 1.20 (0.24) 1.07 (0.11) 1.11 (0.13) 3.71 (1.31) 24.7 (6.12) 53.6 (15.8) 58.3 (31.0) 1.728
Irbesartan 1.53 (0.83) 2.42 (0.23) 1.91 (0.04) 1.38 (0.03) 3.25 (0.32) 5.06 (0.20) 93.1 (10.7) 75.6 (11.9) 0.819
Ketoprofen 1.30 (0.42) 1.03 (0.04) 1.30 (0.05) 1.04 (0.06) 21.1 (7.91) Inf 63.5 (10.6) 75.7 (26.5) 1.603
Metformin 10.6 (1.07) 8.03 (0.28) 4.31 (0.17) 4.46 (0.09) 28.3 (6.56) 136 (50.2) 20.0 (0.71) 36.7 (3.39) 0.340
Naproxen 4.76 (1.05) 1.05 (0.06) 1.03 (0.04) 1.01 (0.02) 30.1 (12.9) 65.4 (12.9) 67.7 (8.24) Inf 1.358
Sitagliptin 5.25 (11.6) 11.8 (4.62) 7.42 (0.99) 12.8 (29.0) 0.19 (0.02) 4.99 (0.76) 13.9 (2.13) 5.86 (1.72) 0.113
Sotalol 8.09 (4.88) 3.48 (0.28) 2.83 (0.28) 1.89 (0.10) 0.67 (0.10) 6.89 (0.41) 12.0 (1.55) 6.43 (0.24) 0.072
Sulfamethxazole 3.78 (1.79) 1.10 (0.12) 1.28 (0.05) 1.22 (0.09) Inf 56.3 (13.7) 29.1 (2.15) Inf 0.606
Valsartan 2.26 (0.84) 1.16 (0.14) 1.23 (0.03) 1.01 (0.01) 6.37 (0.83) 7.51 (0.27) 74.2 (8.46) 39.7 (4.38) 1.028
Venlafaxine 47.6 (2.10) 12.4 (2.71) 9.23 (1.58) 12.9 (1.34) 0.97 (0.12) 3.59 (0.33) 8.17 (1.35) 4.79 (0.32) 0.620

DT50s exceeding the thresholds (Supplementary Table S4) were set to infinity (inf). For respective values of degradation rate constants k, see Supplementary Table S3.