Table 3 Interaction energy: collection of mean, standard deviation (\(\sigma\)), skewness (skew), kurtosis (kurt), x-median (xMed), lowest x-value (xlow) and highest x-value (xhi) for histogram and bootstrapped histogram. SA: simulated annealing approach; SA\(^{B}\): SA bootstrapped; FP: fixed particle approach; FP\(^{B}\): fixed particle bootstrapped.
From: The adsorption of drugs on nanoplastics has severe biological impact
PE | PP | |||||||
|---|---|---|---|---|---|---|---|---|
SA | SA\(^B\) | FP | FP\(^B\) | SA | SA\(^B\) | FP | FP\(^B\) | |
Mean | −22.0 | −22.0 | −11.8 | −11.8 | −21.1 | −21.1 | −12.3 | −12.3 |
\(\sigma\) | 2.4 | 0.3 | 2.6 | 0.4 | 2.7 | 0.4 | 2.8 | 0.4 |
95 % conf. | 0.7 | – | 0.8 | – | 0.8 | – | 0.9 | – |
skew | 1.07 | 0.16 | −0.29 | −0.02 | −0.06 | −0.02 | −0.75 | −0.12 |
kurt | 2.12 | 0.00 | −0.24 | 0.03 | 0.37 | 0.02 | 0.20 | −0.02 |
xMed | −22.2 | −22.0 | −11.5 | −11.8 | −21.0 | −21.1 | −12.0 | −12.3 |
xlow | −25.9 | −23.1 | −18.5 | −13.2 | −27.9 | −22.5 | −19.7 | −14.1 |
xhi | −13.3 | −20.5 | −6.2 | −10.2 | −15.1 | −19.5 | −8.2 | −10.8 |
PS | N66 | |||||||
|---|---|---|---|---|---|---|---|---|
SA | SA\(^B\) | FP | FP\(^B\) | SA | SA\(^B\) | FP | FP\(^B\) | |
Mean | −26.4 | −26.4 | −15.2 | −15.2 | −46 | −46 | −23 | −23 |
\(\sigma\) | 2.9 | 0.4 | 2.9 | 0.4 | 7 | 1 | 7 | 1 |
95 % conf. | 0.8 | – | 0.8 | – | 2 | – | 3 | – |
skew | 0.36 | 0.08 | −0.03 | 0.00 | −0.23 | −0.03 | −1.41 | −0.24 |
kurt | −0.70 | 0.03 | −0.03 | −0.01 | −0.79 | −0.03 | 3.27 | 0.08 |
xMed | −27.1 | −26.4 | −14.9 | −15.2 | −46 | −46 | −21 | −23 |
xlow | −31.5 | −28.1 | −22.6 | −16.7 | −63 | −50 | −48 | −29 |
xhi | −19.3 | −24.8 | −8.3 | −13.8 | −35 | −43 | −10 | −19 |
