Thermodynamic study of ethanol impact on gemcitabine binding to cucurbit[7]uril in aqueous solutions
The Journal of Chemical Thermodynamics（2021）
摘要
•Cucurbit[7]uril (Q7) cavity is stronger solvated by ethanol than water.•In aqueous solution with wEtOH ≤ 0.15 macrocycle Q7 binds gemcitabine (Gem).•Q7–Gem binding is exothermic and thermodynamically spontaneous.•EtOH as cosolvent weakens the driving force of Gem complexation with Q7.•At wEtOH = 0.25 cucurbituril Q7 does not complex Gem.
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关键词
Gemcitabine,Equilibrium thermodynamics,Cucurbit[7]uril,Ethanol cosolvent,Inclusion mechanism,Supramolecular complex
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