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ATP calculation

Source: vignettes/atp_calculation.Rmd
atp_calculation.Rmd

Proton production rate (PPR):

PPR=ECAR valuebuffer\text{PPR} = \frac{\text{ECAR value}}{\text{buffer}}

PPRmito=10pH−pKa1+10pH−pKa⋅H+O2⋅OCR\text{PPR}_{\text{mito}} = \frac{10^{\text{pH}-\text{pK}_a}}{1+10^{\text{pH}-\text{pK}_a}} \cdot \frac{\text{H}^+}{\text{O}_2} \cdot \text{OCR}

Calculates the proton production from glucose during its conversion to bicarbonate and assuming max $\frac{\ce{H}^+}{\ce{O2}}$ of 1

PPRglyc=PPR−PPRresp\text{PPR}_\text{glyc} = \text{PPR} - \text{PPR}_\text{resp}

$$ \ce{2H2 + O2 -> 2H2O} $$

Calculates the proton production from glucose during its conversion to $\ce{lactate + H+}$.

Joules of ATP (JATP) production:

$$ \text{ATP}_{\text{glyc}} = \Bigl(\text{PPR}_\text{glyc} \cdot \frac{\text{ATP}}{\text{lactate}}\Bigl) + \Bigl(\text{MITO}_\text{resp} \cdot 2 \cdot \frac{\text{P}}{\text{O}_\text{glyc}}\Bigl) $$

ATPlactate=1 \frac{\text{ATP}}{\text{lactate}} = 1

with POglyc\frac{\text{P}}{{\text{O}_\text{glyc}}} = 0.167 for glucose (0.242 for glycogen).

$$ \text{ATP}_\text{resp} = \Bigl(\text{coupled MITO}_\text{resp} \cdot 2 \cdot \frac{\text{P}}{\text{O}_\text{oxphos}}\Bigl) + \Bigl(\text{MITO}_\text{resp} \cdot 2 \cdot \frac{\text{P}}{\text{O}_\text{TCA}}\Bigl) $$

with POoxphos\frac{\text{P}}{{\text{O}_\text{oxphos}}} = 2.486 and POTCA\frac{\text{P}}{{\text{O}_\text{TCA}}} = 0.167.