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. Author manuscript; available in PMC: 2020 Jan 1.
Published in final edited form as: Supramol Chem. 2018 Nov 18;31(3):184–189. doi: 10.1080/10610278.2018.1549327

Table 1:

Thermodynamic data from ITC for the binding of guests G0-G7 to hosts OA and TEMOA.a

OA TEMOA

Guests Kab
M−1
Gc
kcal/mol
Hd
kcal/mol
–T∆Se
kcal/mol
Kab
M−1
Gc
kcal/mol
Hd
kcal/mol
–T∆Se
kcal/mol
G0 1.47 E04 –5.68 –4.84 –0.84 2.81 E04 –6.06 –7.85 1.77
G1 2.57 E03 –4.65 –5.52 0.86 2.40 E04 –5.97 –8.25 2.27
G2 1.40 E06 –8.38 –12.07 3.69 9.82 E04 –6.81 –9.27 2.46
G3 6.21 E03 –5.18 –7.53 2.35 1.28 E04 –5.60 –8.86 3.25
G4 1.64 E05 –7.11 –6.92 –0.19 5.12 E05 –7.79 –8.87 1.08
G5 2.33 E03 –4.59 –5.31 0.71 1.13 E03 –4.16 –7.96 3.80
G6 4.37 E03 –4.97 –5.29 0.33 9.12 E03 –5.40 –6.19 0.79
G7 3.60 E04 –6.22 –7.44 1.23 1.07 E03 –4.13 –8.33 4.20
a)

25 ˚C, 50 mM sodium phosphate buffer, pH = 11.5.

b)

Errors in Ka were < 4% in all cases (see SI for specific values).

c)

Calculated error in ∆G is negligible due to the logarithmic relationship with Ka.

d)

Errors in ∆H were < 4% in all cases (see SI for specific values).

e)

Errors in –T∆S were < 14% in all cases (see SI for specific values).