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. 2020 May 30;12(6):500. doi: 10.3390/pharmaceutics12060500

Table 2.

Energies (kcal/mol) of the isomers (C162H270O75) of β-CD/PCL differing in the DP, DS, and β-CD-substituted position (OH-2 or OH-3): Types (A, B, C, D) are explained in Figure 8.

Substitution Position of β-CD DP = 20
DS = 1
DP = 5
DS = 4
Type A
DP = 5
DS = 4
Type B
DP = 5
DS = 4
Type C
DP = 5
DS = 4
Type D
OH-2 −232.028 −266.359 −313.119 −302.218 −267.362
OH-3 −226.762 −258.627 −310.287 −275.790 −265.445