Table 1.
Anatomical, physiological, and kinetic constants and parameters used in the PBPK model.
| Parameter | Abbreviation | Value | Range |
|---|---|---|---|
| Molecular mass m-xylene (g/mol) | MWxyl | 106.17 | – |
| Molecular mass MHA (g/mol) | MWMHA | 193.2 | – |
| Body mass (kg) | BW | 75 | 49–92 |
| Proportion of vascularized tissue (body mass) | VT | 0.91 | – |
| Cardiac output (L h−1 BW0.75) | QCC | 12 | 10–20 |
| METABOLISM (LIVER) | |||
| In vitro Michaelis constant (mMol L−1) | KM | 11.8 | 9.1–14.6 |
| In vitro maximum rate of metabolism (pmol min−1 mg−1 microsomal protein) | Vmax | 895 | 761–1028 |
| Microsomal protein yield per gram wet weight liver (mg g−1) | MPY | 32 | 18–75 |
| GAS EXCHANGE | |||
| Respiratory rate (L h−1 BW0.75) | QPC | 12 | 10–20 |
| Respiratory dead space (proportion respiratory rate) | DS | 0.3 | 0.2–0.33 |
| PARTITION COEFFICIENT | |||
| Blood:air partition coefficient | Pba | 19 | 12–26 |
| Rapidly perfused | Prpda | 117 | 50–150 |
| Slowly perfused | Pspda | 53 | 40–80 |
| Adipose | Pfaa | 1874 | 1400–2200 |
| Liver | Plia | 279 | 150–350 |
| TISSUE BLOOD FLOW AS A FRACTION OF CARDIAC OUTPUT | |||
| Rapidly perfused | QrpdC | 0.48 | |
| Slowly perfused | QspdC | 0.22 | 0.2–0.35 |
| Adipose | QfaC | 0.05 | 0.09–0.10 |
| Liver | QliC | 0.25 | 0.2–0.3 |
| TISSUE MASS AS A FRACTION OF BODY MASS | |||
| Rapidly perfused | VrpdC | 0.09 | |
| Slowly perfused | VspdC | 0.604 | |
| Adipose | VfaC | 0.19 | 0.07–0.28 |
| Liver | VliC | 0.0257 | 0.02–0.031 |
| BLADDER COMPARTMENT | |||
| Rate of urine production (L h−1) | Rurine | 0.07 | 0.06–0.115 |
| Urinary creatinine concentration (mmol L−1) | CRE | 12.5 | 7–15 |
| Elimination rate constant (h−1) | K1 | 10 | 2–18 |