modelHemoglobinQuaternaryForm
Hemoglobib quaternary form - part of multiple-ligand allosteric hemoglobin model
Information
M. Mateják, T. Kulhánek, and S. Matoušek, "Adair-based hemoglobin equilibrium with oxygen, carbon dioxide and hydrogen ion activity," Scandinavian Journal of Clinical & Laboratory Investigation, pp. 1-8, 2015.
Parameters
| Type | Name | Default | Description |
|---|---|---|---|
| Integer | N | 12 | Number of distinguished independent sides in quaternary structure |
| Real | RT | Modelica.Constants.R*298.15 | |
| Modelica.Units.SI.MolarEnthalpy | Ho | 59000 | Enthalpy of deoxygenation |
| Modelica.Units.SI.MoleFraction | Ko37 | KRx and KTx at 37degC | |
| Modelica.Units.SI.MoleFraction | Ko25 | Ko37*exp((Ho/Modelica.Constants.R)*(1/310.15 - 1/298.15)) | KRx and KTx at 25degC |
| Modelica.Units.SI.MolarEnthalpy | Hco | 59000 | Enthalpy of carbon monoxide dissociation |
| Modelica.Units.SI.MoleFraction | Kco37 | Carboxyhemoglobin dissociation at 37degC | |
| Modelica.Units.SI.MoleFraction | Kco25 | Kco37*exp((Hco/Modelica.Constants.R)*(1/310.15 - 1/298.15)) | Carboxyhemoglobin dissociation at 25degC |
| Modelica.Units.SI.MolarEnthalpy | Hh | Enthalpy of deprotonation of h site | |
| Modelica.Units.SI.MoleFraction | Kh37 | KRhx and KThx at 37 degC | |
| Modelica.Units.SI.MoleFraction | Kh25 | Kh37*exp(((Hh)/Modelica.Constants.R)*(1/310.15 - 1/298.15)) | KRhx and KThx at 25 degC |
| Modelica.Units.SI.MolarEnthalpy | Hz | Enthalpy of deprotonation of -NH3+ terminus | |
| Modelica.Units.SI.MoleFraction | Kz37 | KRzx and KTzx at 37 degC | |
| Modelica.Units.SI.MoleFraction | Kz25 | Kz37*exp(((Hz)/Modelica.Constants.R)*(1/310.15 - 1/298.15)) | KRzx and KTzx at 25 degC |
| Modelica.Units.SI.MolarEnthalpy | Hc | Enthalpy of carboxylation | |
| Modelica.Units.SI.MoleFraction | Kc37 | KRcx and KTcx at 37degC | |
| Modelica.Units.SI.MoleFraction | Kc25 | Kc37*exp((Hc/Modelica.Constants.R)*(1/310.15 - 1/298.15)) | KRcx and KTcx at 25degC |
| Modelica.Units.SI.ChemicalPotential | DfG_O2 | -RT*log(0.0013) + 0 | |
| Modelica.Units.SI.ChemicalPotential | DfH_O2 | 0 | |
| Modelica.Units.SI.ChemicalPotential | DfG_CO | -RT*log(0.00099) - 137300 | |
| Modelica.Units.SI.ChemicalPotential | DfH_CO | -276900 | |
| Modelica.Units.SI.ChemicalPotential | DfG_CO2 | -RT*log(0.034) - 394400 | |
| Modelica.Units.SI.ChemicalPotential | DfH_CO2 | -412900 | |
| Modelica.Units.SI.ChemicalPotential | DfG_selectedForm | DfG_tR and DfG_tT | |
| Modelica.Units.SI.MolarEnthalpy | DfH_selectedForm | 0 | DfH_tR and DfH_tT |
| Real | KC | 1e-3 | Slow down factor |
| Modelica.Units.SI.MoleFraction | initialO2 | Initial mole fraction of unbound oxygen disoluted around hemoglobin | |
| Modelica.Units.SI.MoleFraction | initialH | Initial mole fraction of H+ | |
| Modelica.Units.SI.MoleFraction | initialCO2 | Initial mole fraction of unbound carbon dioxide disoluted around hemoglobin | |
| Modelica.Units.SI.AmountOfSubstance | initialHb | Initial amount of hemoglobin tetramers in this quaternary form |
Connectors
| Type | Name | Default | Description |
|---|---|---|---|
| Chemical.Obsolete.Interfaces.SolutionPort | solution | ||
| Chemical.Obsolete.Interfaces.SubstancePort_b | O2 | ||
| Chemical.Obsolete.Interfaces.SubstancePort_a | selectedForm | ||
| Chemical.Obsolete.Interfaces.SubstancePort_b | CO2 | ||
| Obsolete.Interfaces.SubstancePort_b | H |
Components
| Type | Name | Default | Description |
|---|---|---|---|
| Chemical.Obsolete.Components.Speciation | speciation | ||
| Chemical.Obsolete.Components.Substance[4] | OxyHm | Oxygenated subunit | |
| Chemical.Obsolete.Components.Reaction[4] | o | ||
| Chemical.Obsolete.Components.Substance[4] | DeoxyHm | Deoxygenated subunit | |
| Chemical.Obsolete.Components.Substance[4] | HmAH | Protonated h site of subunit in quaternary structure of hemoglobin tetramer | |
| Chemical.Obsolete.Components.Reaction[4] | h | ||
| Chemical.Obsolete.Components.Substance[4] | HmA | Deprotonated h site of subunit in quaternary structure of hemoglobin tetramer | |
| Chemical.Obsolete.Components.Substance[4] | HmNH3 | Protonated z site of subunit in quaternary structure of hemoglobin tetramer | |
| Chemical.Obsolete.Components.Reaction[4] | z | ||
| Chemical.Obsolete.Components.Substance[4] | HmNH2 | Deprotonated z site of subunit in quaternary structure of hemoglobin tetramer | |
| Chemical.Obsolete.Components.Reaction[4] | c | ||
| Chemical.Obsolete.Components.Substance[4] | HmNHCOO | Carboxylated c site of subunit in quaternary structure of hemoglobin tetramer |
Revisions
2013-2018
Marek Matejak, Charles University, Prague, Czech Republic