ArticleBiophysical reports2023
Ab initio quantification of the oxygen-hemoglobin dissociation curve.
Article in Biophysical reports, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Uptake of oxygen by hemoglobin (Hb), described by the oxygen-Hb dissociation curve, is obviously important for the existence of all vertebrates. Its sigmoidal curve shape indicates that oxygen binds more tightly if sites already are occupied, commonly referred to as the cooperative effect. The effect has been challenging to understand and quantify ever since its experimental demonstration in 1904. Here, we derive an ab initio analytical expression for the dissociation curve based on the fundamental principle of uniform oxygen chemical potential and absolute activity throughout the system at equilibrium using the grand partition function. The resulting analytical dissociation expression therefore only has four molecular oxygen-Hb binding energies as free variables, which are determined by fitting the analytical expression to measured data. The corresponding resulting negative reaction enthalpies identified in increasing magnitude are,
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