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Table S1Input Parameters Used to Calculate the PBPK Model Simulation

Tissue / Tissue volume
(L) / Density
(kg L−1)b / Percentage
of body weight
(%)c / Blood perfusion rate
(L/d)d / Blood flow
fraction
(%) / Percentage total
eliminationamount (%)b / Tissue/blood partition coefficientc
As3+ / As5+ / MMA5+ / DMA5+
Lung / 0.9a / 1.05 / 1.57 / 259.2 / 4d / 12 / 4.15 / 4.15 / 1.8 / 2.075
Kidney / 0.2a / 1.05 / 0.35 / 1977.6 / 30d / 60 / 4.15 / 4.15 / 1.8 / 2.075
Skin (fat) / 11.9a / 0.92 / 18.23 / 520.8 / 8d / 20 / 2.5 / 2.5 / 1.25 / 1.25
GI tract / 1.1a / 1.04 / 1.91 / 2080.8 / 31d / 8 / 2.8 / 2.8 / 1.2 / 1.4
Liver / 1.4a / 1.04 / 2.42 / 520.8 / 8d /  / 5.3 / 5.3 / 2.35 / 2.65
Muscle / 55.5b / 1.04 / 12.11 / 1440 / 22d /  / 2.6 / 2.6 / 1.8 / 1.8
Richly perfused
tissues /  / 1.03 / 8.4 /  / 27.5b /  / 2.6 / 2.6 / 1.8 / 1.8
Slowly perfused
tissues /  / 1.04 / 20.93 /  / 7.5b /  / 0.3 / 0.3 / 0.3 / 0.3

aTissue volume (Vx) = Body weight (BW) Percentage of body weight (Wx) /Density (Dx).(Liao et al. 2009).

bValueswere taken from Liao et al. (2009).

cValues were taken from Liao et al. (2008).

dBlood flow rate in specific organ (Qx) =Blood flow fraction (Fx) × Blood flow rate (QT); QT = 12.89 BW0.75 (Liao et al. 2009),BW = Normal(60.05, 4.26) (Ling and Liao 2007).

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Table S2Metabolic Rate Constants for Arsenic in Human

Tissue / Oxidation/reduction rate constant (h−1),
methylation affinity constanta
As3+→MMA5+ / As3+→DMA5+ / MMA5+→DMA5+
Kidney
Vmax (µmol h−1) / 7.5 / 10.0 / 5.0
Km (µmol L−1) / 100.0 / 100.0 / 100.0
Liver
Vmax (µmol h−1) / 11.3 / 22.3 / 16.0
Km (µmol L−1) / 100.0 / 100.0 / 100.0

a Liao et al. (2009).

Table S3Arsenic Concentration in Skin, Lungs, Liver and Kidneys from PBPK Model Simulation

Tissue / Arsenic species / Mass balance different equations
Skin / As3+ /
As5+ /
MMA5+ /
DMA5+ /
Lung / As3+ /
As5+ /
MMA5+ /
DMA5+ /
Liver / As3+ /
As5+ /
MMA5+ /
DMA5+ /
Kidney / As3+ /
As5+ /
MMA5+ /
DMA5+ /

Table S4Best-Fitted Values of the Weibull Dose-Response Model

Disease / Sex / Best fitted parameter
k0 / k1 / k2 / k3 / r2
Hyperpigmentationa / Male / 5.41E-04 / 0.62 / 0.18 / 1.00E-04 / 0.94
Female / 2.95E-04 / 0.61 / 0.17 / 1.00E-04 / 0.91
Keratosisa / Male / 1.44E-04 / 0.70 / 0.18 / 1.00E-04 / 0.96
Female / 8.79E-05 / 0.65 / 0.12 / 1.00E-04 / 0.91
Lung cancerb / Male / 1.07E-07 / 0.700 / 1.46 / 6.25E-06 / 0.67
Female / 8.72E-08 / 0.830 / 1.45 / 1.45E-05 / 0.58
Liver cancerb / Male / 5.24E-07 / 0.823 / 1.21 / 6.01E-05 / 0.45
Female / 1.50E-05 / 0.140 / 1.09 / 1.13E-05 / 0.41
Bladder cancerb / Male / 1.92E-07 / 1.130 / 1.13 / 4.38E-09 / 0.86
Female / 2.02E-07 / 1.360 / 0.60 / 1.03E-04 / 0.87

a Liao et al. (2008).

b Liao et al. (2009).