Vibrational Frequency Shifts for Monitoring Noncovalent Interactions between Molecular Imprinted Polymers and Analgesics
Vibrational Frequency Shifts for Monitoring Noncovalent Interactions between Molecular Imprinted Polymers and Analgesics
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DOI：
10.1021/acs.jpcc.8b07771
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发表时间：
2018-09
期刊：
影响因子：
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通讯作者：
Wenjing Xi;Anna A. Volkert;Michael C. Boller;A. Haes
中科院分区：
文献类型：
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作者：
Wenjing Xi;Anna A. Volkert;Michael C. Boller;A. Haes
分子振动频率对局部化学环境的固有敏感性允许研究小分子如何在分子印迹聚合物（MIPs）中的工程腔中相互作用。这些相互作用通过聚合物和小分子之间的弱但集体的分子间相互作用产生。在此，分子间相互作用的甲基丙烯酸为基础的分子印迹聚合物和对乙酰氨基酚，阿司匹林，和咖啡因的拉曼活性模式的振动频率和带宽的变化的变化进行了评估。这些材料之间的识别实验测量和建模结合能相比。在评价镇痛剂的拉曼信号时，量化分子间相互作用，例如分子与聚合物主链之间的氢键和其它弱相互作用。最后，解离常数和印迹效率估计的选择性评价。利用拉曼活性振动传感器的灵敏度，
The inherent sensitivity of molecular vibrational frequencies to their local chemical environment allows for the investigation of how small molecules interact within engineered cavities in molecular imprinted polymers (MIPs). These interactions arise via weak yet collective intermolecular interaction between the polymer and small molecule. Herein, intermolecular interactions between methacrylic acid-based MIPs and acetaminophen, aspirin, and caffeine are evaluated using shifts in the vibrational frequencies and changes in bandwidths of Raman-active modes. Recognition between these materials is measured experimentally and compared to modeled binding energies. Upon evaluation of Raman signals for the analgesics, intermolecular interactions such as hydrogen bonding and other weak interactions between the molecules and polymer backbone are quantified. Finally, dissociation constants and imprinting efficiencies are estimated for selectivity evaluation. This exploitation of the sensitivity of Raman-active vibra...