ATP calculation

library(ceas)

Proton production rate (PPR):

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

$$\text{PPR}_{\text{mito}} = \frac{10^{\text{pH}-\text{pK}_a}}{1+10^{\text{pH}-\text{pK}_a}} \cdot \frac{\text{H}^+}{\text{O}_2} \cdot \text{OCR}$$

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

PPR_glyc = PPR − PPR_resp

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

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

Joules of ATP (JATP) production:

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

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

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