Systematic Optimization of Liquid–Liquid Extraction for Isolation of Unidentified Components,ACS Omega

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Systematic Optimization of Liquid–Liquid Extraction for Isolation of Unidentified Components
ACS Omega ( IF 3.7 ) Pub Date : 2017-11-10 00:00:00 , DOI: 10.1021/acsomega.7b01445
Sofja Tshepelevitsh ₁ , Kertu Hernits ₁ , Jaroslav Jenčo ₂ , Joel M. Hawkins ₃ , Koji Muteki ₃ , Petr Solich ₂ , Ivo Leito ₁

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We present a systematic approach for predicting the best solvents for selective extraction of components with unknown structure from complex mixtures (e.g., natural products)—a tool promising dramatic simplification of extraction process optimization. Its key advantage is that identification of the component(s) is unnecessary—prediction is based on a small set of experimental distribution coefficients (obtained using a combination of shake-flask extraction and chromatographic analysis) rather than structure-based descriptors. The methodology is suitable for the very common situations in practice where the desired compound needs to be separated from unknown impurities (i.e., selectively extracted from the mixture), as well as for large-scale and high-throughput work. The proof-of-concept methodology was developed and evaluated using an extensive set of experimental distribution data of lignin-related compounds obtained in this work.

中文翻译：

分离未知成分的液-液萃取的系统优化

我们提供了一种预测最佳溶剂的系统方法，该溶剂可从复杂混合物（例如天然产物）中选择性提取具有未知结构的组分-一种有望极大简化提取工艺优化的工具。它的主要优点是不需要识别组分-预测基于少量实验分布系数（通过摇瓶提取和色谱分析的组合获得），而不是基于结构的描述符。该方法适用于实践中非常常见的情况，在这种情况下，需要将所需化合物与未知杂质（即，从混合物中选择性提取）分离，以及进行大规模和高通量工作。

更新日期：2017-11-10

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