5
Supplementary materials
Fig. S1. The urinary BPA concentrations from PBPK model performed by generally exposure condition (a) and plus the skin adsorption (b). The generally exposure condition is set as 2.48 mg d-1. Db is the BPA skin daily absorption dose in blood (μg d-1) and is equal to Fabs×S×T×f, Fabs is the BPA absorption rate via human skin (0.12, μg cm2 h-1) (Marquet et al., 2011), S is the assumed absorption surface area (25, cm2), T is the assumed exposure time (1, h d-1), and f is the partition fraction for BPA from skin to venous blood (f = 0.006 for female (Branu et al., 2011) and f = 0.006 for male).
Table S1. Organ or tissue related parameters used in revised BPA-PBPK model for male (M) and female (F).
Table S2. Human BPA-PBPK model equations.
(a) Without skin absorption
(b) With skin absorption
Figure S1. The urinary BPA concentrations from PBPK model performed by generally exposure condition (a) and plus the skin adsorption (b). The generally exposure condition is set as 2.48 mg d-1. Db is the BPA skin daily absorption dose in blood (μg d-1) and is equal to Fabs×S×T×f, Fabs is the BPA absorption rate via human skin (0.12, μg cm2 h-1) (Marquet et al., 2011), S is the assumed absorption surface area (25, cm2), T is the assumed exposure time (1, h d-1), and f is the partition fraction for BPA from skin to venous blood (f = 0.006 for female (Branu et al., 2011) and f = 0.006 for male).
Table S1 Organ or tissue related parameters used in revised BPA-PBPK model for male (M) and female (F)
Number / Organ/tissue name a / Partition coefficient (dimensionless) b or rate constant (min-1) a / Volume of organ or tissue (mL) e / Flow rate(mL min-1) e
1 / Venous blood / -- / 4703 (M); 4091 (F) / 4948 (M); 4304 (F)
2 / Arterial blood / -- / 4703 (M); 4091 (F) / 4948 (M); 4304 (F)
3 / Lung / 5.5 / 1133 (M); 986 (F) / 4948 (M); 4304 (F)
4 / Kidney / 4.4 / 283 (M); 246 (F) / 1039 (M); 904 (F)
5 / Heart / 3.4 / 283 (M); 246 (F) / 142 (M); 123 (F)
6 / Testis/Ovary / 3.4 / 38 (M); 6 (F) f / 2 (M); 34 (F) f
7 / Brain / 4.4 / 1322 (M); 1150 (F) / 661 (M); 575 (F)
8 / Muscle / 0.8 / 28329 (M); 24643 (F) / 708 (M); 616 (F)
9 / Adipose tissue / 0.7 / 9443 (M); 8214 (F) / 246 (M); 214 (F)
10 / Spleen / 2.8 / 189 (M); 164 (F) / 72 (M); 63 (F)
11 / Stomach / 4.6 / 189 (M); 164 (F) / 36 (M); 31 (F)
12 / Small intestine / 45.96 / 1605 (M); 1396 (F) / 1039 (M); 904 (F)
13 / Lumen / 0.03 (Kel,Lum) a / 1605 (M); 1396 (F) / --
14 / Liver / 5.7 / 1605 (M); 1396 (F) / 1555 (M); 1353 (F)
15 / Glucuronide compartment / 25.1 (Kel,Glu) a / 50 c / --
16 / Glu trans 1 compartment / 0.005 (Ktr) a / 50 c / --
17 / Glu trans 2 compartment / 0.005 (Ktr) a / 50 c / --
18 / Glu trans 3 compartment / 0.005 (Ktr) a / 50 c / --
19 / Glu trans 4 compartment / 0.005 (Ktr) a / 50 c / --
20 / Glu trans 5 compartment / 0.005 (Kre) a / 50 c / --
-- / Lumen à Small intestine / 0.51 (Ka) / -- / --
-- / Liver à Glucuronide / 677.6 (CLint,Li) d / -- / --
-- / Other parameters d / -- / -- / --
a Unit used as min-1 adjusted with body weight of 70 kg and data adopted from Shin et al. (2010).
b Data adopted from Shin et al. (2004).
c Data of the volume of human bile is adopted from Sherwood (2008).
d Unit used as mL min-1 adjusted with body weight of 70 kg and data adopted from Shin et al. (2010). The oral bioavailability (F = 0.053) is adopted from Shin et al. (2004). The fraction of bile (Fbile = 0.05) and flow rate of hepatic artery (Qha = 431.7 mL min-1) are adopted from Shin et al. (2010).
e Data adopted from Shin et al. (2004) and adjusted by body weight from Wang et al. (2010).
f Data adopted from Lam et al. (2009).
Table S2 Human PBA-PBPK model equations aNon-eliminating organs
(T1)
Eliminating organ (liver)
(T2)
Lung
(T3)
Blood
(T4)
(T5)
Lumen
(T6)
Small intestine for oral administration
(T7)
Eliminating organ (liver)
(T8)
a Adopted from Shin et al. (2010).
Abbreviations and parameter symbols: V is the tissues volume, C is the total BPA concentrations, K is the tissue-to-serum partition coefficients, OD: oral dose, F: oral bioavailability, P(t): Exposure pattern, Ve: venous, Ar: artery, Lu: lung, Li: liver, Sp: spleen, Ki: kidney, He: heart, Te: testis, Br: brain, Mu: muscle, Ad: adipose tissue, St: stomach, SI: small intestine, and Lum: lumen.
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