Thermodynamic Contribution of Water in Cryptophane Host-Guest Binding Reaction.
Thermodynamic Contribution of Water in Cryptophane Host-Guest Binding Reaction.
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DOI：
10.1021/acs.jpcb.0c05354
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发表时间：
2020-07-30
影响因子：
3.3
通讯作者：
Brotin, Thierry
中科院分区：
文献类型：
--
作者：
Eggers, Daryl K.;Fu, Sherry;Ngo, Dominic, V;Vuong, Elizabeth H.;Brotin, Thierry
采用等温滴定量热法对铷离子与水溶性隐烷分子之间的相互作用进行了详细的结合热力学研究。这个主-客体对的平衡结合商随着产物形成的增加而减小。当用热力学框架分析时，在控制方程中明确考虑了水，平衡的转移被解释为在包合物形成时溶剂化自由能的不利变化。结合数据的van 't Hoff分析以及包合物之间聚集的观察表明，铷离子与隐烷宿主的酚酸基团之间的电荷-电荷相互作用为水中的结合提供了动力，克服了溶剂焓的大而不利的变化。
A detailed examination of binding thermodynamics is undertaken for the interaction between rubidium ion and a water-soluble cryptophane molecule using isothermal titration calorimetry. The equilibrium binding quotient for this host–guest pair decreases with increasing product formation. When analyzed with a thermodynamic framework that considers water explicitly in the governing equation, the shift in equilibrium is interpreted as an unfavorable change in the free energy of solvation upon formation of the inclusion complex. A van’t Hoff analysis of the binding data, as well as an observation of aggregation between inclusion complexes, suggests that charge–charge interactions between rubidium ion and the phenolate groups of the cryptophane host provide the driving force for association in water that overcomes a large and unfavorable change in solvent enthalpy.
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影响因子：
3.5
作者：
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通讯作者：
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影响因子：
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作者：
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