Correction to “Cavity Hydration and Competitive Binding in Methylated β-Cyclodextrin”
Correction to “Cavity Hydration and Competitive Binding in Methylated β-Cyclodextrin”
复制标题
修正“甲基化 β-环糊精中的空腔水合和竞争性结合”
DOI：
10.1021/acs.jpclett.9b02465
复制
发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Ben-Amotz, Dor
中科院分区：
文献类型：
--
作者：
Mendes de Oliveira, Denilson;Ben-Amotz, Dor
拉曼多元曲线分辨率 (Raman-MCR) 光谱用于测量水性甲基化 β-环糊精 (Me-β-CD) 空腔中水分子的振动光谱，并量化苯对这些水的竞争性排出。 Me-β-CD 空腔被发现含有 5-6 个水分子，其结构与本体水的结构非常相似，尽管四面体稍微多一些，弱氢键也更少。使用拉曼-MCR 获得的苯与 Me-β-CD 的结合常数与苯与 β-CD 的结合常数相似（之前通过其他方法测定）。 Me-β-CD 中苯对水的竞争性置换是通过在测量的平衡常数中明确包括空腔结合水分子的释放来量化的。
Raman multivariate curve resolution (Raman-MCR) spectroscopy is used to measure the vibrational spectrum of water molecules in the cavity of an aqueous methylated β-cyclodextrin (Me-β-CD), as well as to quantify the competitive expulsion of those waters by benzene. The Me-β-CD cavity is found to contain 5–6 water molecules whose structure is remarkably similar to that of bulk water, although slightly more tetrahedral and with fewer weak hydrogen bonds. The binding constant of benzene to Me-β-CD, obtained using Raman-MCR, is found to be similar to that of benzene to β-CD (previously determined by other means). The competitive displacement of water by benzene in Me-β-CD is quantified by explicitly including the release of cavity-bound water molecules in the measured equilibrium constant.