Figure 2.

ITC data (markers) of binding CB[8] (H, three initial concentrations) with PheGly₂ (G) (a) and PheGly₆ (G) (e) in PBS (10 mm phosphate buffer, 2.7 mm KCl and 137 mm NaCl, pH 7.4). ITC data (see also Figures S1–S6 in the Supporting Information) were simultaneously fitted (solid lines) to a model with K ₁, K ₂, ΔH ⁰ ₁, and ΔH ⁰ ₂ as fit parameters. Representative plots of the normalized least‐squares fit error, ΔH ⁰ and −TΔS ⁰ calculated at fixed values of the K ₁/K ₂ ratio for PheGly₂ (b–d) and PheGly₆ (f–h). Red vertical lines indicate the non‐cooperative case (K ₁/K ₂=2), green areas represent the acceptable ranges of K ₁/K ₂ within 20 % of the minimum fit error and of enthalpy–entropy compensation.