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. 2020 Jun 18;21(12):4345. doi: 10.3390/ijms21124345

Table 2.

Thermodynamic parameters of the complex formation between TAC and MTX

Experiments Modeling
Temperature (K) ΔH
(kJ mol−1)
ΔS
(J K−1 mol−1)
Structure
(see Figure 5)
ΔH
(kJ mol−1)
ΔS
(J K−1 mol1)
293.15–299.82 15.79 ± 0.7 133.56 ± 6 closed 8.43 126.11
303.15–313.15 −210.66 ± 1.7 −614.57 ± 12 opened −154.42 −214.67

ΔH and ΔS are the enthalpy change and entropy change, respectively.