OFlaherty 2000
Notes
Pb PBK (OFLaherty, 2000):
Overview
| key |
value |
| Modelled species/orgamism(s) |
http://purl.obolibrary.org/obo/NCBITaxon_9606 |
| Model chemical(s) |
http://purl.obolibrary.org/obo/CHEBI_33585 |
| Input route(s) |
no routes detected |
| Time resolution |
h |
| Amounts unit |
mg |
| Volume unit |
L |
| Number of compartments |
3 |
| Number of species |
3 |
| Number of parameters |
21 (9 external / 12 internal) |
Diagram
Compartments
| id |
name |
unit |
model qualifier |
| Liver |
Liver compartment |
L |
http://purl.obolibrary.org/obo/PBPKO_00558 |
| Blood |
Blood compartment |
L |
http://purl.obolibrary.org/obo/PBPKO_00464 |
| Rest |
Rest of body compartment |
L |
http://purl.obolibrary.org/obo/PBPKO_00450 |
Species
| id |
name |
unit |
model qualifier |
| ALiver |
Amount in liver |
mg |
http://purl.obolibrary.org/obo/PBPKO_00497 |
| ABlood |
Amount in blood |
mg |
http://purl.obolibrary.org/obo/PBPKO_00623 |
| ARest |
Amount in rest of body |
mg |
http://purl.obolibrary.org/obo/PBPKO_00501 |
Transfer equations
| id |
from |
to |
equation |
| _J0 |
ALiver |
ABlood |
QL * (1 - Htc) * (ALiver / (VL * PL)) + Htc * (ALiver / (VL * PL)) * (G + BIND / (KBIND + ALiver / (VL * PL))) |
| _J1 |
ABlood |
ALiver |
QL * CBlood |
| _J2 |
ARest |
ABlood |
QRest * (1 - Htc) * (ARest / (VRest * PRest)) + Htc * (ARest / (VRest * PRest)) * (G + BIND / (KBIND + ARest / (VRest * PRest))) |
| _J3 |
ABlood |
ARest |
QRest * CBlood |
ODEs
\(\frac{d[\mathtt{ALiver}]}{dt} = - \mathit{QL}\cdot (1-\mathit{Htc})\cdot \frac{\mathit{ALiver}}{\mathit{VL}\cdot \mathit{PL}}+\mathit{Htc}\cdot \frac{\mathit{ALiver}}{\mathit{VL}\cdot \mathit{PL}}\cdot (\mathit{G}+\frac{\mathit{BIND}}{\mathit{KBIND}+\frac{\mathit{ALiver}}{\mathit{VL}\cdot \mathit{PL}}})
+ \mathit{QL}\cdot \mathit{CBlood}\)
\(\frac{d[\mathtt{ABlood}]}{dt} = \mathit{QL}\cdot (1-\mathit{Htc})\cdot \frac{\mathit{ALiver}}{\mathit{VL}\cdot \mathit{PL}}+\mathit{Htc}\cdot \frac{\mathit{ALiver}}{\mathit{VL}\cdot \mathit{PL}}\cdot (\mathit{G}+\frac{\mathit{BIND}}{\mathit{KBIND}+\frac{\mathit{ALiver}}{\mathit{VL}\cdot \mathit{PL}}})
- \mathit{QL}\cdot \mathit{CBlood}
+ \mathit{QRest}\cdot (1-\mathit{Htc})\cdot \frac{\mathit{ARest}}{\mathit{VRest}\cdot \mathit{PRest}}+\mathit{Htc}\cdot \frac{\mathit{ARest}}{\mathit{VRest}\cdot \mathit{PRest}}\cdot (\mathit{G}+\frac{\mathit{BIND}}{\mathit{KBIND}+\frac{\mathit{ARest}}{\mathit{VRest}\cdot \mathit{PRest}}})
- \mathit{QRest}\cdot \mathit{CBlood}\)
\(\frac{d[\mathtt{ARest}]}{dt} = - \mathit{QRest}\cdot (1-\mathit{Htc})\cdot \frac{\mathit{ARest}}{\mathit{VRest}\cdot \mathit{PRest}}+\mathit{Htc}\cdot \frac{\mathit{ARest}}{\mathit{VRest}\cdot \mathit{PRest}}\cdot (\mathit{G}+\frac{\mathit{BIND}}{\mathit{KBIND}+\frac{\mathit{ARest}}{\mathit{VRest}\cdot \mathit{PRest}}})
+ \mathit{QRest}\cdot \mathit{CBlood}\)
Assignment rules
| variable |
assignment |
| VL |
VLc * BW |
| VB |
VBc * BW |
| VRest |
BW - VL - VB |
| QC |
340 * BW / 24 |
| QL |
QLc * QC |
| QRest |
QC - QL |
| Htc |
piecewise(0.52 + Age * 14, lt(Age, 0.01), HtcA * (1 + (0.66 - HtcA) * exp(-(Age - 0.01) * 13.9))) |
| BIND |
2.7 * 1000 |
| KBIND |
0.0075 * 1000 |
| CLiver |
ALiver / Liver |
| CBlood |
ABlood / Blood |
| CRest |
ARest / Rest |
Initial assignments
| variable |
assignment |
| Liver |
VL |
| Blood |
VB |
| Rest |
VRest |
Parameters
| id |
name |
unit |
model qualifier |
| Age |
Age |
y |
http://purl.obolibrary.org/obo/PBPKO_00521 |
| BW |
Bodyweight |
kg |
http://purl.obolibrary.org/obo/PBPKO_00008 |
| VLc |
Volume fraction of liver |
L/kg |
http://purl.obolibrary.org/obo/PBPKO_00078 |
| VBc |
Volume fraction of blood |
L/kg |
not specified |
| VL |
Volume of liver |
L |
http://purl.obolibrary.org/obo/PBPKO_00077 |
| VB |
Volume of blood |
L |
http://purl.obolibrary.org/obo/PBPKO_00108 |
| VRest |
Volume of rest of body |
L |
http://purl.obolibrary.org/obo/PBPKO_00105 |
| QC |
Cardiac output |
L/h |
http://purl.obolibrary.org/obo/PBPKO_00013 |
| QLc |
Cardiac output fraction to liver |
dimensionless |
http://purl.obolibrary.org/obo/PBPKO_00025 |
| QL |
Cardiac output to liver |
L/h |
http://purl.obolibrary.org/obo/PBPKO_00024 |
| QRest |
Cardiac output to rest of body |
L/h |
http://purl.obolibrary.org/obo/PBPKO_00050 |
| HtcA |
Hematocrit |
dimensionless |
http://purl.obolibrary.org/obo/PBPKO_00527 |
| Htc |
Hematocrit |
dimensionless |
http://purl.obolibrary.org/obo/PBPKO_00527 |
| PL |
Partition coefficient blood-liver |
dimensionless |
http://purl.obolibrary.org/obo/PBPKO_00577 |
| PRest |
Partition coefficient blood- rest body |
dimensionless |
http://purl.obolibrary.org/obo/PBPKO_00585 |
| G |
Linear parameter for unbound lead in red cells |
dimensionless |
http://purl.obolibrary.org/obo/PBPKO_00622 |
| BIND |
Maximum capacity of sites in red cells to bind lead (mg/L of red cell volume) |
mg/L |
not specified |
| KBIND |
Half-saturation concentration of lead for binding by sites in red cells (mg/L of red cell volume) |
mg/L |
not specified |
| CLiver |
Concentration in liver |
mg/L |
http://purl.obolibrary.org/obo/PBPKO_00539 |
| CBlood |
Concentration in blood |
mg/L |
http://purl.obolibrary.org/obo/PBPKO_00301 |
| CRest |
Concentration in rest of body |
mg/L |
http://purl.obolibrary.org/obo/PBPKO_00548 |