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. 2024 Oct 28;14(46):34228–34238. doi: 10.1039/d4ra06682k

Thermodynamic binding parameters of formed complexes between the host and the guests by ITCa.

K a × 103 (M−1) ΔH (kcal mol−1) TΔS (kcal mol−1) ΔG (kcal mol−1)
CAF@R1 K 1 = 5.36 ± 0.30 −0.86 ± 0.77 4.23 −5.10 ± 0.77
K 2 = 0.54 ± 0.16 2.24 ± 0.81 5.96 −3.72 ± 0.81
CAF@R2 K 1 = 58.40 ± 5.48 −0.11 ± 0.01 6.41 −6.51 ± 0.01
K 2 = 1.97 ± 0.15 1.21 ± 0.04 5.69 −4.48 ± 0.04
GRI@R1 K 1 = 10.94 ± 6.01 0.18 ± 0.23 5.69 −5.51 ± 0.20
K 2 = 0.68 ± 0.25 2.69 ± 0.83 6.56 −3.86 ± 0.83
b GRI@R2 K = 24.50 ± 2.60 3.54 ± 0.10 9.51 −5.97 ± 0.10
ISO@R1 K 1 = 211.25 ± 60.01 −0.66 ± 0.03 6.58 −7.25 ± 0.03
K 2 = 1.99 ± 0.16 0.31 ± 0.01 4.83 −4.51 ± 0.01
b ISO@R2 K = 2.14 ± 0.90 1.72 ± 1.47 6.26 −4.53 ± 1.47
a

ITC was done in H2O at 298 K and fitted to two binding sites.

b

Fit to one binding site.