GUESS - A generally useful estimate of solvent systems in CCC
GUESS - A generally useful estimate of solvent systems in CCC
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DOI：
10.1080/10826070500225234
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发表时间：
2005-01-01
影响因子：
1.3
通讯作者：
Pauli, GF
中科院分区：
文献类型：
--
作者：
Friesen, JB;Pauli, GF
选择合适的逆流色谱(CCC)溶剂体系是天然产物纯化的关键步骤。针对其高样品多样性，G.UE.S.S.是一种实用的方法，用于通过标准薄层色谱(TLC)预测CCC分布常数K值。G.U.E.S.S.通过直接使用常规的TLC信息，大大减少了工作量。CCC的分离能力集中在一个最佳的“机会之窗”，这个窗口可谓是CCC分离的“甜蜜点”。最佳CCC性能的最佳点可以描述为化合物K值在0.4到2.5之间的区域。推荐了正己烷/乙酸乙酯/甲醇/水和氯仿/甲醇/水两种常用的CCC溶剂体系作为HEMWat和CHMWat溶剂体系的选择方法。描述了20多种不同的商业天然产物的(I)P值，(Ii)TLC R-f值和(Iii)CCC保留体积之间的关系。HEMWat方法是一种多才多艺的溶剂选择技术。即使对于简单的单相混合物，TLC Rf值通常也会给出实际的预测。其他信息可以从等效的溶剂系统中获得，也可以通过使用G.U.E.S.S.标准化合物进行校准来获得。后者还将有助于重要地选择哪个相将用作流动相。正相和反相的选择将取决于需要聚集到最佳点的化合物的极性。另外，猜测一下。已被证明很容易应用于药物发现、生物测定导向分级和代谢组分析所需的天然产物纯化。
The choice of an appropriate solvent system for Countercurrent Chromatography (CCC) is a critical step in the purification of natural products. Targeted towards their high sample diversity, G.U.E.S.S. is a practical approach for the prediction of CCC distribution constants, K values, by standard thin layer chromatography (TLC). G.U.E.S.S. allows a major reduction in workload by direct use of routine TLC information. The separation capability of CCC focuses on an optimal "window of opportunity" that can be described as the "sweet spot" of CCC separation. The sweet spot of optimal CCC performance may be described as an area where compound K values are between 0.4 and 2.5. Two useful CCC solvent systems: hexane/ethyl acetate/methanol/water and chloroform/methanol/water are organized and recommended as the HEMWat and ChMWat methods of solvent system selection. The relationship of (i) P values, measured by the ratio of UV-vis absorption, (ii) TLC R-f values and (iii) CCC retention volumes for over 20 diverse commercially available natural products are described. The HEMWat method characterizes a versatile solvent selection technique. TLC Rf values will often give practical predictions, even with simple single-phase mixtures. Additional information can be acquired from equivalent solvent systems and by calibration with the G.U.E.S.S. standard compounds. The latter will also aid in the important selection of which phase will function as the mobile phase. The choice of normal vs. reverse phase will depend on the polarity of compounds that are desired to be gathered into the sweet spot. In addition, GUESS. has been shown to be readily applicable to natural product purification necessary for drug discovery, bioassay guided fractionation, and metabolome analysis.