Quantitative molecular analysis with molecular bands emission using laser-induced breakdown spectroscopy and chemometrics
Quantitative molecular analysis with molecular bands emission using laser-induced breakdown spectroscopy and chemometrics
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DOI：
10.1039/b714219f
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发表时间：
2008-01-01
影响因子：
3.4
通讯作者：
Lyon, Robbe C.
中科院分区：
文献类型：
--
作者：
Doucet, Francois R.;Faustino, Patrick J.;Lyon, Robbe C.
本工作描述了第一个定量分子预测使用激光诱导分子带沿着与化学计量学。此外，这种光谱方法已经证明了第一个完整的定量分析，利用传统的不敏感元素的药物制剂。原子LIBS需要某些敏感元素，如Cl，F，Br，S和P，以便定量复杂基质中的特定有机化合物。分子LIBS已被证明是第一个成功的方法，使用原子光谱法来评估一个复杂的有机基质。这也是首次利用激光诱导分子谱带和化学计量学进行定量分析。我们已经成功地应用化学计量学来预测复杂药物制剂中的制剂辅料和活性药物成分（API）。使用这种方法，我们证明了API和制剂润滑剂硬脂酸镁的准确度的相对偏倚小于4%。已准确预测其他制剂辅料（如Avicel（R）和乳糖）的相对偏倚小于15%。分子LIBS和化学计量学为定量分析几种分子提供了一种新的方法，这在技术上是不可能的与传统的原子LIBS程序，需要敏感元素存在于API和制剂辅料。
The present work describes the first quantitative molecular prediction using laser-induced molecular bands along with chemometrics. In addition, this spectroscopic procedure has demonstrated the first complete quantitative analysis utilizing traditionally insensitive elements for pharmaceutical formulations. Atomic LIBS requires certain sensitive elements, such as Cl, F, Br, S and P, in order to quantitate a specific organic compound in a complex matrix. Molecular LIBS has been demonstrated to be the first successful approach using atomic spectroscopy to evaluate a complex organic matrix. This procedure is also the first quantitative analysis using laser-induced molecular bands and chemometrics. We have successfully applied chemometrics to predict the formulation excipients and active pharmaceutical ingredient (API) in a complex pharmaceutical formulation. Using such an approach, we demonstrate that the accuracy for the API and a formulation lubricant, magnesium stearate, have less than 4% relative bias. The other formulation excipients such as Avicel (R) and lactose have been accurately predicted to have less than a 15% relative bias. Molecular LIBS and chemometrics have provided a novel approach for the quantitative analysis of several molecules that was not technically possible with the traditional atomic LIBS procedure, that required sensitive elements to be present in both API and formulation excipients.