Suppr超能文献

基于支持向量机回归的蒂巴因和罂粟碱同时化学发光测定。

Simultaneous chemiluminescence determination of thebaine and noscapine using support vector machine regression.

机构信息

Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2010 Feb;75(2):867-71. doi: 10.1016/j.saa.2009.12.021. Epub 2009 Dec 16.

Abstract

In this work, a batch chemiluminescence (CL) method has been proposed for the simultaneous determination of two structurally similar alkaloids, noscapine and thebaine. The method is based on the kinetic distinction of the CL reactions of noscapine and thebaine with Ru(bipy)(3)(2+) and Ce(IV) system in a sulfuric acid medium. The least squared support vector machine (LS-SVM) regression was applied for relating the concentrations of both compounds to their CL profiles. The parameters of the model consisting of sigma(2) and gamma were optimized by constructing LS-SVM models with all possible combinations of these two parameters to select the model with the minimum root mean squared error of cross validation (RMSECV) as the best. The parameters of this model were then selected as optimized values. Under the optimized experimental conditions for both compounds, the detection limits obtained using the LS-SVM regression were 0.08 and 0.1 micromo lL(-1) for noscapine and thebaine, respectively. The proposed method was utilized for the simultaneous determination of the compounds in pharmaceutical formulations and plasma samples with satisfactory results.

摘要

在这项工作中,提出了一种批量化学发光(CL)方法,用于同时测定两种结构相似的生物碱,那可丁和蒂巴因。该方法基于那可丁和蒂巴因与 Ru(bipy)(3)(2+)和 Ce(IV)体系在硫酸介质中的 CL 反应的动力学差异。最小二乘支持向量机(LS-SVM)回归用于将两种化合物的浓度与其 CL 图谱相关联。模型的参数 sigma(2)和 gamma 由构建包含这两个参数的所有可能组合的 LS-SVM 模型来优化,以选择 RMSECV 交叉验证(RMSECV)最小的模型作为最佳模型。然后将该模型的参数选择为优化值。在两种化合物的最佳实验条件下,使用 LS-SVM 回归获得的检测限分别为 0.08 和 0.1 微摩尔 L(-1)。该方法用于药物制剂和血浆样品中化合物的同时测定,结果令人满意。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验