Model Mathematics

Component: environment

Component: ATP

∂∂timeATP= D_ATP ⁢ ATP - G_CK ⁢ v_CK + G_AK ⁢ v_AK - G_H ⁢ H_ATP

Component: ADP

∂∂timeADP= D_ADP ⁢ ADP + G_CK ⁢ v_CK - 2.0 ⁢ G_AK ⁢ v_AK + G_H ⁢ H_ATP

Component: AMP

∂∂timeAMP= D_AMP ⁢ AMP + G_AK ⁢ v_AK

Component: PCr

∂∂timePCr= D_PCr ⁢ PCr + G_CK ⁢ v_CK

Component: Cr

∂∂timeCr= D_Cr ⁢ Cr + G_CK ⁢ v_CK

Component: Pi

∂∂timePi= D_Pi ⁢ Pi + G_H ⁢ H_ATP

Component: v_CK

v_CK = V1 ⁢ mATP ⁢ Cr Kia ⁢ Kb - V1_ ⁢ mADP ⁢ PCr Kic ⁢ Kd DenCK DenCK = 1.0 + Cr Kib + PCr Kid + mATP ⁢ 1.0 Kia + Cr Kia ⁢ Kb + mADP ⁢ 1.0 Kic + PCr Kid ⁢ Kc + Cr Kic ⁢ KIb Kc = Kic ⁢ Kd Kid

Component: fATP

fATP= ATP 1.0 + Mg KDT

Component: fATPx

fATPx= ATPx 1.0 + Mgx KDTx

Component: fATPext

fATPext= ATPext 1.0 + Mgext KDText

Component: fATPg

fATPg= ATPg 1.0 + Mgg KDTg

Component: fATPi

fATPi= ATPi 1.0 + Mgi KDTi

Component: mATP

mATP= ATP - fATP

Component: mATPx

mATPx= ATPx - fATPx

Component: mATPext

mATPext= ATPext - fATPext

Component: mATPg

mATPg= ATPg - fATPg

Component: mATPi

mATPi= ATPi - fATPi

Component: fADP

fADP= ADP 1.0 + Mg KDD

Component: fADPx

fADPx= ADPx 1.0 + Mgx KDDx

Component: fADPext

fADPext= ADPext 1.0 + Mgext KDDext

Component: fADPg

fADPg= ADPg 1.0 + Mgg KDDg

Component: fADPi

fADPi= ADPi 1.0 + Mgi KDDi

Component: mADP

mADP= ADP - fADP

Component: mADPx

mADPx= ADPx - fADPx

Component: mADPext

mADPext= ADPext - fADPext

Component: mADPg

mADPg= ADPg - fADPg

Component: mADPi

mADPi= ADPi - fADPi

Component: v_AK

v_AK = kfa ⁢ fADP ⁢ mADP - kba ⁢ mATP ⁢ AMP

Component: v_AKmit

v_AKmit = kfa ⁢ fADP ⁢ mADP - kba ⁢ mATP ⁢ AMP

Component: H_ATP

H_ATP= time 30.0 ⁢ H_ATPmax if time ≥ 0.0 ∧ time < 30.0 60.0 ⁢ time 30.0 ⁢ H_ATPmax if time ≥ 30.0 ∧ time < 60.0 0.0 if time ≥ 60.0 ∧ time < 180.0

Component: G_CK

G_CK= 0.94 ⁢ 1.0 - x 0.375 if x < 0.375 ∧ y < 1.0 1.61 ⁢ x - 0.375 0.375 if x ≥ 0.375 ∧ x < 0.75 ∧ y < 1.0 1.61 if x ≥ 0.375 ∨ y ≥ 1.0

Component: G_AK

G_AK=G_CK

Component: G_H

G_H= 4.0 3.0 ⁢ x 0.125 if x < 0.125 ∧ y < 1.0 4.0 3.0 if x ≥ 0.125 ∧ x < 0.75 ∧ y < 1.0 4.0 3.0 ⁢ 1.0 - x - 0.75 0.125 if x ≥ 0.75 ∧ x < 0.875 ∧ y < 1.0 0.0 if x ≥ 0.875 ∨ y ≥ 1.0

Component: diffusion_through_mitochondrial_membrane

∂∂nATP_diff= R_ATP ⁢ ATPi - ATP D_ATP ∂∂nADP_diff= R_ADP ⁢ ADPi - ADP D_ADP ∂∂nAMP_diff= R_AMP ⁢ AMPi - AMP D_AMP ∂∂nPCr_diff= R_PCr ⁢ PCri - PCr D_PCr ∂∂nCr_diff= R_Cr ⁢ Cri - Cr D_Cr ∂∂nPi_diff= R_Pi ⁢ Pii - Pi D_Pi

Component: ATPi

ddtimeATPi= R_ATP Li ⁢ ATP - ATPi + v_ANT FVi - v_MiCK FVi + v_AKmit FVi

Component: ADPi

ddtimeADPi= R_ADP Li ⁢ ADP - ADPi - 2.0 ⁢ v_AKmit FVi + v_ANT FVi + v_MiCK FVi

Component: AMPi

ddtimeAMPi= R_AMP Li ⁢ AMP - AMPi + v_AKmit FVi

Component: PCri

ddtimePCri= R_PCr Li ⁢ PCr - PCri + v_AKmit FVi

Component: Cri

ddtimeCri= R_Cr Li ⁢ Cr - Cri - v_MiCK FVi

Component: Pii

ddtimePii= R_Pi Li ⁢ Pi - Pii - v_PI FVi

Component: v_MiCK

v_MiCK = v_MiCK_G + v_MiCK_I v_MiCK_G = V1 ⁢ mATPg ⁢ Cri Kia_G ⁢ Kb - V1_ ⁢ mADPg ⁢ PCri Kic_G ⁢ Kd DenMiCK v_MiCK_I = V1 ⁢ mATPi ⁢ Cri Kia ⁢ Kb - V1_ ⁢ mADPi ⁢ PCri Kic ⁢ Kd DenMiCK DenMiCK = 1.0 + Cri Kib + PCri Kid + mATPg Kia_G + mATPi Kia ⁢ 1.0 + Cri Kb + mADPg Kic_G + mADPi Kic ⁢ 1.0 + PCri Kd + Cri KIb

Component: v_exch

v_exch_ATP = R_exch_ATP ⁢ ATPi - ATPg v_exch_ADP = R_exch_ADP ⁢ ADPi - ADPg

Component: UQ

ddtimeUQ= v_C3 - v_C1 FVx

Component: c3plus

ddtimec3plus= 2.0 ⁢ 2.0 ⁢ v_O2 - v_C3 FVx

Component: NAD

ddtimeNAD= v_C1 - v_dh FVx

Component: Hx

ddtimeHx=delta_Hx delta_Hx=- 2.0 ⁢ 2.0 + u ⁢ v_O2 + 4.0 ⁢ v_C1 + 4.0 - 2.0 ⁢ u ⁢ v_C3 - na ⁢ v_sn + v_ANT ⁢ u + 1.0 - u ⁢ v_PI + v_leak FVx ⁢ r_buff

Component: ATPx

ddtimeATPx= v_sn - v_ANT FVx

Component: Pix

ddtimePix= v_PI - v_sn FVx

Component: oxidative_phosphorylation

v_dh = k_dh 1.0 + k_mN NADNADH pD v_C1 = k_C1 ⁢ Eu - En + 2.0 ⁢ delta_p v_C3 = k_C3 ⁢ Ec - Eu + 2.0 - u ⁢ delta_p v_O2 = 0.5 ⁢ k_C4 ⁢ a2plus ⁢ c2plus ⁢ O2 O2 + k_mO v_sn = k_sn ⁢ 10.0 delta_Gsn Z - 1.0 10.0 delta_Gsn Z + 1.0 v_PI = vfPI ⁢ Hext ⁢ Pii 1.0 + 10.0 pHext - pKa - vbPI ⁢ Hx ⁢ Pix 1.0 + 10.0 pHx - pKa v_leak = k_L1 ⁢ 10.0 k_L2 ⁢ delta_p - 1.0

Component: NADH

NADH= NAD_tot - NAD

Component: UQH2

UQH2= UQ_tot - UQ

Component: c2plus

c2plus= ctot - c3plus

Component: a2plus

a2plus= atot - a3_2

Component: ADPx

ADPx = Ax - ATPx

Component: pHx

pHx =-log10⁡ eta ⁢ Hx

Component: delta_pH

delta_pH = Z ⁢ pHext - pHx

Component: delta_p

delta_p = 1.0 1.0 - u ⁢ delta_pH

Component: delta_psi

delta_psi =- delta_p - delta_pH

Component: Hext

Hext = eta ⁢ 1.0 - pHext

Component: r_buff

r_buff = r_buff0 ⁢ eta ⁢ delta_pH delta_Hx

Component: Z

Z =ln⁡ 10.0 ⁢ R ⁢ T F

Component: v_ANT

v_ANT = v_ANT_XG + v_ANT_XI v_ANT_XG = v_ANT ⁢ fADPg Kg ⁢ 10.0 + fADPg Kg + fADPi Ki ⁢ fADPg fATPg ⁢ 10.0 -0.35 ⁢ delta_psi Z + fADPg - fADPx fATPx ⁢ 10.0 -0.65 ⁢ delta_psi Z + fADPx v_ANT_XI = v_ANT ⁢ fADPi Ki ⁢ 10.0 + fADPg Kg + fADPi Ki ⁢ fADPi fATPi ⁢ 10.0 -0.35 ⁢ delta_psi Z + fADPi - fADPx fATPx ⁢ 10.0 -0.65 ⁢ delta_psi Z + fADPx

Component: delta_Gsn

delta_Gsn = na ⁢ delta_p - delta_Gsn0 F + Z ⁢log10⁡ eta ⁢ ATPx ADPx ⁢ Pix

Component: redox_potentials

En = En0 + Z 2.0 ⁢log10⁡ NAD NADH Eu = Eu0 + Z 2.0 ⁢log10⁡ UQ UQH2 Ec = Ec0 + Z 2.0 ⁢log10⁡ c3plus c2plus Ea = Ec + 1.0 + u ⁢ delta_p a3_2 = 10.0 Ea - Ea0 ⁢ Z

Component: diffusion_constants

Component: Mg_buffering

Component: H_buffering

Component: diffusion_through_mitochondrial_membrane_parameters

Component: general_constants

Component: fractional_volumes