Group of Analysis and Education for Sustainability (GAES), Chemistry Department, Federal University of Viçosa (UFV), Viçosa, MG, 36570-900, Brazil.
Group of Analysis and Education for Sustainability (GAES), Chemistry Department, Federal University of Viçosa (UFV), Viçosa, MG, 36570-900, Brazil.
J Pharm Biomed Anal. 2020 Sep 10;189:113436. doi: 10.1016/j.jpba.2020.113436. Epub 2020 Jun 20.
The quality of omega-3 supplements, commercialized at substantial high prices and supplied by several manufacturers, must be assessed. The existing reference methods to attest the quality of omega-3 supplements are based on chromatography, which requires expensive equipment, a cumbersome analytical protocol to determine the contents of the active components, and operates ex-situ. This work evaluates, comprehensively, the feasibility of a low-cost near-infrared spectrophotometer and simple chemometrics to achieve fast and robust characterization of omega-3 supplements. The necessary attention, very often neglected, to the performance of the low-cost portable equipment is highlighted, and an appropriate sample measurement protocol is established. A non-conventional way to construct multivariate regression models based on partial least square regression to evaluated the omega-3 content in the supplements was proposed using few references values and completing the data set with the label values selected using the X-Y relation outliers plots. The results showed that the simple, fast and inexpensive approach proposed could deliver in situ relevant information related to the quality of the supplements such as identification several raw materials employed in its fabrication, screening for the content of the active components, identify frauds/non-conformities, and report on unscrupulous marketing practices.
必须评估商业化的高价位ω-3 补充剂的质量,这些补充剂由几家制造商供应。现有的证明ω-3 补充剂质量的参考方法基于色谱法,这种方法需要昂贵的设备、繁琐的分析协议来确定有效成分的含量,并且是在原位操作。这项工作全面评估了低成本近红外分光光度计和简单化学计量学的可行性,以实现对 ω-3 补充剂的快速、稳健的特性描述。强调了对低成本便携式设备性能的必要关注,建立了适当的样品测量协议。提出了一种非传统的方法,使用偏最小二乘回归建立多元回归模型,使用少数参考值评估补充剂中的 ω-3 含量,并使用 X-Y 关系异常值图选择的标签值来完成数据集,从而评估补充剂的质量。结果表明,所提出的简单、快速和廉价的方法可以提供与补充剂质量相关的现场相关信息,例如识别制造过程中使用的几种原材料、筛选有效成分的含量、识别欺诈/不合规行为,并报告不法营销行为。