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. 2025 Jan 15;122(3):e2414253122. doi: 10.1073/pnas.2414253122

Table 2.

Thermodynamic parameters during the complexation

Host–guest pair Ka M−1 ΔG* kcal/mol ΔH kcal/mol −TΔS kcal/mol
QAAC4A12C-Fl 2.1 × 108 −11.2 −(6.1 ± 0.5) −5.1
QAAC4A-Fl 6.3 × 105 −7.8 −(6.7 ± 1.1) −1.1
QAAC4A12C-Na2B12H12 5.0 × 108 −11.8 −(7.4 ± 0.8) −4.4
QAAC4A-Na2B12H12 3.1 × 106 −8.8 −(6.6 ± 0.9) −2.2
QAAC4A12C-TPPS 4.4 × 1011 −15.8 −(15.6 ± 0.4) −0.2
QAAC4A-TPPS 4.6 × 107 −10.4 −(16.5 ± 1.1) 6.1

*The ΔG was calculated by Ka obtained from fluorescence titration.

The ΔH was measured by ITC in HEPES buffer (10 mM, pH = 7.4, 25 °C), and the −TΔS was calculated by ΔG − ΔH.