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Calculated signal as a function of pH, and comparison to experimental results.

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posted on 01.11.2012, 02:43 by Natali V. Di Russo, Dario A. Estrin, Marcelo A. Martí, Adrian E. Roitberg

Black: Signal, as defined in Equation 2, as a function of pH for KD = 100, KH = 6.31×10−3, α = 0.03, β = 0.55 (α and β are obtained from ref. 11). Red: NO dissociation equilibrium constant (KdNO) vs pH and fit to the equation of a titration curve with an apparent pKa of 6.5, as obtained from ref. 11.