Chen
Notes
Fenitrothion PBK - Chen et al. 2023
Overview
| key | value |
|---|---|
| Modelled species/orgamism(s) | not specified |
| Model chemical(s) | not specified |
| Input route(s) | no routes detected |
| Time resolution | not specified |
| Amounts unit | not specified |
| Volume unit | not specified |
| Number of compartments | 5 |
| Number of species | 7 |
| Number of parameters | 31 (19 external / 12 internal) |
Diagram
Compartments
| id | name | unit | model qualifier |
|---|---|---|---|
| Stomach | not specified | not specified | not specified |
| Intestinal | not specified | not specified | not specified |
| Liver | not specified | not specified | not specified |
| Blood | not specified | not specified | not specified |
| Rest | not specified | not specified | not specified |
Species
| id | name | unit | model qualifier |
|---|---|---|---|
| ASt | not specified | not specified | not specified |
| AIT | not specified | not specified | not specified |
| ALiver | not specified | not specified | not specified |
| ABlood | not specified | not specified | not specified |
| ARest | not specified | not specified | not specified |
| ALiverMet1 | not specified | not specified | not specified |
| ALiverMet2 | not specified | not specified | not specified |
Transfer equations
| id | from | to | equation |
|---|---|---|---|
| _J0 | ASt | AIT | ksto * ASt |
| _J1 | ASt | ALiver | k0 * ASt |
| _J2 | AIT | ALiver | kabs * AIT |
| _J3 | ABlood | ALiver | QL * CBlood |
| _J4 | ALiver | ABlood | QL * CLiver / PL |
| _J5 | ABlood | ARest | QRest * CBlood |
| _J6 | ARest | ABlood | QRest * CRest / PRest |
| _J7 | ALiver | ALiverMet1 | VmaxLMet1 * (CLiver / PL) * (Fupliver / BP) / (KmLMet1 + CLiver / PL * (Fupliver / BP)) |
| _J8 | ALiver | ALiverMet2 | VmaxLMet2 * (CLiver / PL) * (Fupliver / BP) / (KmLMet2 + CLiver / PL * (Fupliver / BP)) |
ODEs
\(\frac{d[\mathtt{ASt}]}{dt} = - \mathit{ksto}\cdot \mathit{ASt} - \mathit{k0}\cdot \mathit{ASt}\)
\(\frac{d[\mathtt{AIT}]}{dt} = \mathit{ksto}\cdot \mathit{ASt} - \mathit{kabs}\cdot \mathit{AIT}\)
\(\frac{d[\mathtt{ALiver}]}{dt} = \mathit{k0}\cdot \mathit{ASt} + \mathit{kabs}\cdot \mathit{AIT} + \mathit{QL}\cdot \mathit{CBlood} - \frac{\mathit{QL}\cdot \mathit{CLiver}}{\mathit{PL}} - \frac{\mathit{VmaxLMet1}\cdot \frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}}{\mathit{KmLMet1}+\frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}} - \frac{\mathit{VmaxLMet2}\cdot \frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}}{\mathit{KmLMet2}+\frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}}\)
\(\frac{d[\mathtt{ABlood}]}{dt} = - \mathit{QL}\cdot \mathit{CBlood} + \frac{\mathit{QL}\cdot \mathit{CLiver}}{\mathit{PL}} - \mathit{QRest}\cdot \mathit{CBlood} + \frac{\mathit{QRest}\cdot \mathit{CRest}}{\mathit{PRest}}\)
\(\frac{d[\mathtt{ARest}]}{dt} = \mathit{QRest}\cdot \mathit{CBlood} - \frac{\mathit{QRest}\cdot \mathit{CRest}}{\mathit{PRest}}\)
\(\frac{d[\mathtt{ALiverMet1}]}{dt} = \frac{\mathit{VmaxLMet1}\cdot \frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}}{\mathit{KmLMet1}+\frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}}\)
\(\frac{d[\mathtt{ALiverMet2}]}{dt} = \frac{\mathit{VmaxLMet2}\cdot \frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}}{\mathit{KmLMet2}+\frac{\mathit{CLiver}}{\mathit{PL}}\cdot \frac{\mathit{Fupliver}}{\mathit{BP}}}\)
Assignment rules
| variable | assignment |
|---|---|
| Rest | VRest |
| VB | VBc * BW |
| VL | VLc * BW |
| VRest | 0.84 * BW - VL - VB |
| BVRest | BVRestC * VRest |
| QC | QCc * pow(BW, 0.74) |
| QL | QLc * QC |
| QRest | QC - QL |
| VmaxLMet1 | VmaxLMet1C / (1000 * 60 * MPL * 1000 * VL) |
| VmaxLMet2 | VmaxLMet2C / (1000 * 60 * MPL * 1000 * VL) |
| CLiver | ALiver / Liver |
| CBlood | ABlood / Blood |
| CRest | ARest / Rest |
Initial assignments
| variable | assignment |
|---|---|
| Liver | VL |
| Blood | VB |
Parameters
| id | name | unit | model qualifier |
|---|---|---|---|
| BW | not specified | not specified | not specified |
| VBc | not specified | not specified | not specified |
| VLc | not specified | not specified | not specified |
| VB | not specified | not specified | not specified |
| VL | not specified | not specified | not specified |
| VRest | not specified | not specified | not specified |
| BVRestC | not specified | not specified | not specified |
| BVRest | not specified | not specified | not specified |
| QCc | not specified | not specified | not specified |
| QC | not specified | not specified | not specified |
| QLc | not specified | not specified | not specified |
| QL | not specified | not specified | not specified |
| QRest | not specified | not specified | not specified |
| BP | not specified | not specified | not specified |
| PL | not specified | not specified | not specified |
| PRest | not specified | not specified | not specified |
| Fa | not specified | not specified | not specified |
| ksto | not specified | not specified | not specified |
| kabs | not specified | not specified | not specified |
| k0 | not specified | not specified | not specified |
| Fupliver | not specified | not specified | not specified |
| MPL | not specified | not specified | not specified |
| KmLMet1 | not specified | not specified | not specified |
| VmaxLMet1C | not specified | not specified | not specified |
| VmaxLMet1 | not specified | not specified | not specified |
| KmLMet2 | not specified | not specified | not specified |
| VmaxLMet2C | not specified | not specified | not specified |
| VmaxLMet2 | not specified | not specified | not specified |
| CLiver | not specified | not specified | not specified |
| CBlood | not specified | not specified | not specified |
| CRest | not specified | not specified | not specified |