Chiral recognition and quantification of propranolol enantiomers by surface enhanced Raman scattering through supramolecular interaction with β-cyclodextrin
Chiral recognition and quantification of propranolol enantiomers by surface enhanced Raman scattering through supramolecular interaction with β-cyclodextrin
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DOI：
10.1016/j.talanta.2012.09.001
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发表时间：
2012-11-15
期刊：
影响因子：
6.1
通讯作者：
Stiufiuc, Rares
中科院分区：
文献类型：
--
作者：
Bodoki, Ede;Oltean, Mircea;Stiufiuc, Rares
报道了一种简单、快速、准确的普萘洛尔对映体的表面增强拉曼散射（Sers）和多元回归分析方法。计算化学作为一种工具，阐明负责手性歧视的分子相互作用的潜在机制。考察了手性助剂的性质、浓度、选择剂与选择剂的比例、pH值、作用时间等因素对手性拆分的影响。在获得的Sers光谱进行了评估，然后通过构建的化学计量学模型与优化的操作条件。所获得的半经验模型的性能，建立了一个验证组的纯对映体和其预期用途证明了药物制剂（片剂）中的普萘洛尔的对映体过量的评估，而不需要繁琐和昂贵的手性分离。所得结果也证实了手性高效液相色谱。(C)2012 Elsevier B.V.保留所有权利。
A simple, fast and accurate method of chiral recognition and quantification of propranolol enantiomers by surface enhanced Raman scattering (SERS) and multivariate regression analysis through supramolecular interaction with beta-cyclodextrin is reported. Computational chemistry served as a tool of elucidating the underlying mechanism of molecular interactions responsible for chiral discrimination. The influence of several factors (nature and concentration of chiral auxiliary, selector-selectand ratio, pH, interaction time, etc.) over the obtained SERS spectra was assessed, followed by the construction of the chemometric model with the optimized operational conditions. The performance of the obtained semi-empirical model was established using a validation set of pure enantiomers and its intended use was demonstrated by the assessment of the enantiomeric excess of propranolol in pharmaceutical formulations (tablets) without the need of tedious and expensive chiral separation. The obtained results were also confirmed by chiral high-performance liquid chromatography. (C) 2012 Elsevier B.V. All rights reserved.