Equilibrium studies on enantioselective extraction of oxybutynin enantiomers by hydrophilic β‐cyclodextrin derivatives
Equilibrium studies on enantioselective extraction of oxybutynin enantiomers by hydrophilic β‐cyclodextrin derivatives
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DOI：
10.1002/aic.12513
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发表时间：
2011-11
期刊：
影响因子：
3.7
通讯作者：
K. Tang;Panliang Zhang;Chun-yue Pan;Hongjian Li
中科院分区：
文献类型：
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作者：
K. Tang;Panliang Zhang;Chun-yue Pan;Hongjian Li
研究了亲水性β-环糊精（β-CD）衍生物对疏水性奥昔布宁（OBN）对映体的选择性萃取。萃取效率在很大程度上取决于许多工艺变量，例如有机溶剂和β-CD衍生物的类型、选择剂的浓度、pH和温度。实验数据用R，S-OBN与β-CD均相水相反应萃取模型描述。该模型的重要参数进行了实验测定。分子和离子OBN的物理分配系数分别为4.96 × 10−3和9.52。络合反应的平衡常数分别为1770和1340 L/mol的S-和R-OBN。通过模拟和实验，确定了HP-β-CD的最佳萃取条件：pH = 5，HP-β-CD浓度为0.1 mol/L，对映体选择性（α）为1.26，接近理论最大值1.32，性能因子（pfi）为0.036。该模型得到了实验验证，取得了良好的效果。© 2011美国化学工程师学会AIChE J，2011
The enantioselective extraction of hydrophobic oxybutynin (OBN) enantiomers by hydrophilic β-cyclodextrin (β-CD) derivatives was studied. The efficiency of extraction depends strongly on a number of process variables such as types of organic solvents and β-CD derivatives, concentration of selector, pH, and temperature. The experimental data were described by a reactive extraction model with a homogeneous aqueous phase reaction of R,S-OBN with β-CD. Important parameters of this model were determined experimentally. The physical distribution coefficients for molecular and ionic OBN were 4.96 × 10−3 and 9.52, respectively. The equilibrium constants of the complexation reactions were 1770 and 1340 L/mol for S- and R-OBN, respectively. By modeling and experiment, an optimal extraction condition with pH of 5 and HP-β-CD concentration of 0.1 mol/L was obtained with enantioselectivity (α) of 1.26, which was close to the theoretical maximum of 1.32 and performance factor (pfi) of 0.036. The model was verified experimentally with excellent results. © 2011 American Institute of Chemical Engineers AIChE J, 2011