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定性有机分析。I. 通过在四种洗脱系统中对标准化薄层色谱数据进行主成分分析来鉴定药物。

Qualitative organic analysis. I. Identification of drugs by principal components analysis of standardized thin-layer chromatographic data in four eluent systems.

作者信息

Musumarra G, Scarlata G, Cirma G, Romano G, Palazzo S, Clementi S, Giulietti G

出版信息

J Chromatogr. 1985 Dec 20;350(1):151-68. doi: 10.1016/s0021-9673(01)93515-0.

DOI:10.1016/s0021-9673(01)93515-0
PMID:4093478
Abstract

Principal component analysis of standardized RF values in four eluent systems [ethyl acetate-methanol-30% ammonia (85:10:15), cyclohexane-toluene-diethylamine (65:25:10), ethyl acetate-chloroform (50:50) and acetone, with the plate dipped in potassium hydroxide solution] provided a two-component model which accounts for 73% of the total variance. The "scores" plot allowed the restriction of the range of inquiry to a few candidates. This result is of great practical significance in analytical toxicology, especially when account is taken of the cost, the time, the analytical instrumentation and the simplicity of the calculations required by the method.

摘要

对四种洗脱液系统[乙酸乙酯-甲醇-30%氨水(85:10:15)、环己烷-甲苯-二乙胺(65:25:10)、乙酸乙酯-氯仿(50:50)和丙酮,薄板浸入氢氧化钾溶液中]的标准化RF值进行主成分分析,得到了一个占总方差73%的双组分模型。“得分”图使研究范围能够限定在少数候选物上。这一结果在分析毒理学中具有重大实际意义,尤其是考虑到该方法所需的成本、时间、分析仪器以及计算的简便性时。

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