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The relaxed (0 1 0) surface of CD-MOF with/without scutellarin (SCU). (A) Blank surface. (B) The glucose rings end of SCU inside the (0 1 0) surface. (C) The glucose rings end of SCU outside the (0 1 0) surface. The yellow atoms had been fixed and the green ones denoted SCU. The energy of blank surface was set to 0 kcal/mol as the reference energy.
