Timchalk
Notes
Chlorpyrifos and its metabolites (Timchalk et al. 2002)
Overview
| key | value |
|---|---|
| Modelled species/orgamism(s) | not specified |
| Model chemical(s) | not specified |
| Input route(s) | no routes detected |
| Time resolution | h |
| Amounts unit | umol |
| Volume unit | L |
| Number of compartments | 3 |
| Number of species | 5 |
| Number of parameters | 23 (12 external / 11 internal) |
Diagram
Compartments
| id | name | unit | model qualifier |
|---|---|---|---|
| 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 |
|---|---|---|---|
| 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 | ABlood | ALiver | QL * CBloodFree |
| _J1 | ALiver | ABlood | QL * (CLiver * (1 - Fub) / PL) |
| _J2 | ABlood | ARest | QRest * CBloodFree |
| _J3 | ARest | ABlood | QRest * (CRest * (1 - Fub) / PRest) |
| _J4 | ALiver | ALiverMet1 | VmaxLMet1 * CLiver / (KmLMet1 + CLiver) |
| _J5 | ALiver | ALiverMet2 | VmaxLMet2 * CLiver / (KmLMet2 + CLiver) |
ODEs
\(\frac{d[\mathtt{ALiver}]}{dt} = \mathit{QL}\cdot \mathit{CBloodFree} - \mathit{QL}\cdot \frac{\mathit{CLiver}\cdot (1-\mathit{Fub})}{\mathit{PL}} - \frac{\mathit{VmaxLMet1}\cdot \mathit{CLiver}}{\mathit{KmLMet1}+\mathit{CLiver}} - \frac{\mathit{VmaxLMet2}\cdot \mathit{CLiver}}{\mathit{KmLMet2}+\mathit{CLiver}}\)
\(\frac{d[\mathtt{ABlood}]}{dt} = - \mathit{QL}\cdot \mathit{CBloodFree} + \mathit{QL}\cdot \frac{\mathit{CLiver}\cdot (1-\mathit{Fub})}{\mathit{PL}} - \mathit{QRest}\cdot \mathit{CBloodFree} + \mathit{QRest}\cdot \frac{\mathit{CRest}\cdot (1-\mathit{Fub})}{\mathit{PRest}}\)
\(\frac{d[\mathtt{ARest}]}{dt} = \mathit{QRest}\cdot \mathit{CBloodFree} - \mathit{QRest}\cdot \frac{\mathit{CRest}\cdot (1-\mathit{Fub})}{\mathit{PRest}}\)
\(\frac{d[\mathtt{ALiverMet1}]}{dt} = \frac{\mathit{VmaxLMet1}\cdot \mathit{CLiver}}{\mathit{KmLMet1}+\mathit{CLiver}}\)
\(\frac{d[\mathtt{ALiverMet2}]}{dt} = \frac{\mathit{VmaxLMet2}\cdot \mathit{CLiver}}{\mathit{KmLMet2}+\mathit{CLiver}}\)
Assignment rules
| variable | assignment |
|---|---|
| VL | VLc * BW |
| VB | VBc * BW |
| VRest | 0.84 * BW - VL - VB |
| QL | QLc * QC |
| QRest | QC - QL |
| CBloodTotal | ABlood / Blood |
| CBloodFree | CBloodTotal * (1 - Fub) |
| CBloodBound | CBloodTotal * Fub |
| CLiver | ALiver / Liver |
| CVL | CLiver / PL |
| CRest | ARest / Rest |
Initial assignments
| variable | assignment |
|---|---|
| Liver | VL |
| Blood | VB |
| Rest | VRest |
Parameters
| id | name | unit | model qualifier |
|---|---|---|---|
| BW | not specified | not specified | not specified |
| VLc | not specified | not specified | not specified |
| VBc | not specified | not specified | not specified |
| VL | not specified | not specified | not specified |
| VB | not specified | not specified | not specified |
| VRest | 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 |
| PL | not specified | not specified | not specified |
| PRest | not specified | not specified | not specified |
| KmLMet1 | not specified | not specified | not specified |
| VmaxLMet1 | not specified | not specified | not specified |
| KmLMet2 | not specified | not specified | not specified |
| VmaxLMet2 | not specified | not specified | not specified |
| Fub | not specified | not specified | not specified |
| CBloodTotal | not specified | not specified | not specified |
| CBloodFree | not specified | not specified | not specified |
| CBloodBound | not specified | not specified | not specified |
| CLiver | not specified | not specified | not specified |
| CVL | not specified | not specified | not specified |
| CRest | not specified | not specified | not specified |