Department of Analytical Chemistry , Jagiellonian University in Kraków , Gronostajowa 2 , 30-387 Kraków , Poland.
Anal Chem. 2019 Aug 20;91(16):10343-10352. doi: 10.1021/acs.analchem.9b01872. Epub 2019 Jul 30.
Evaluation of an analytical method is a fundamental problem in analytical chemistry, and it is never straightforward. In this article, we show a perspective for facing this issue using an original tool. We propose a model that allows one to evaluate any analytical method/procedure in a global manner. It refers to the RGB additive color model and uses three primary colors to represent three main attributes of the evaluated method: analytical performance - Red, compliance with the "green" chemistry principles - Green, and productivity/practical effectiveness - Blue. A final color of the method results from the additive synthesis of the primary colors. To simplify classifications, we propose the set of nine final colors of the method (white, magenta, cyan, yellow, red, green, blue, colorless/gray, and black). The model provides also a quantitative parameter, named the "method brilliance", which integrates all primary colors and treats them with varying importance, adjusted to the evaluation context and subjective user preferences. The evaluation is performed using standard Excel worksheets interpretable "at-a-glance" and adjustable to the particular method specifications. We discuss the opportunities offered by this model, potential obstacles, and related countermeasures, as well as future perspectives for its utilization. The paper shows also examples of using the model for the evaluation of real methods. We believe that the model can be applied not only in analytical science but also in other chemical subdisciplines.
分析方法的评估是分析化学中的一个基本问题,而且从来都不是一件简单的事情。在本文中,我们将使用一种原创工具展示一种应对这一问题的视角。我们提出了一个模型,该模型允许以全局方式评估任何分析方法/程序。它参考了 RGB 加色模型,并使用三种原色来表示所评估方法的三个主要属性:分析性能 - 红色,符合“绿色”化学原则 - 绿色,以及生产力/实际效果 - 蓝色。方法的最终颜色是原色的加色合成。为了简化分类,我们提出了方法的九种最终颜色集(白色、品红色、青色、黄色、红色、绿色、蓝色、无色/灰色和黑色)。该模型还提供了一个名为“方法亮度”的定量参数,它集成了所有原色,并根据评估上下文和主观用户偏好以不同的重要性对其进行处理。评估使用标准的 Excel 工作表进行解释,可“一目了然”地进行,并可根据特定方法规格进行调整。我们讨论了该模型提供的机会、潜在障碍和相关对策,以及未来的应用前景。本文还展示了使用该模型评估真实方法的示例。我们相信该模型不仅可以应用于分析科学,还可以应用于其他化学子学科。