An improved one-class algorithm combined with NIR spectroscopy for detecting adulterated chemicals in weight-loss pills

• Published in: Infrared physics & technology Vol. 133; p. 104817
• Main Authors: Tan, Chao, Chen, Hui, Lin, Zan
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.09.2023
• Subjects: Adulteration; Class-modeling; Ensemble; Near-infrared; Weight-loss pill; Class-modeling; Weight-loss pill; Adulteration; Ensemble; Near-infrared
• ISSN: 1350-4495; 1879-0275
• DOI: 10.1016/j.infrared.2023.104817

[Display omitted] •Rapid detection of phenolphthalein adulterated in diet pill.•An improved class-modeling algorithm was proposed.•Such a procedure is a good reference to other applications. Illegal chemicals may be added into weight-loss pills labeled as 100% natural. Taking into account public health and legal regulations, how to quickly and cheaply detect adulterants in these herbal pills is of great significance. Current efforts are focused on developing a near-infrared (NIR) spectroscopy-based non-destructive, rapid and cost-effective strategy for detecting phenolphthalein, the most commonly chemical adulterant in weight-loss pills. A total of 160 pure and adulterated samples were prepared. A feature selection procedure was used to compress variables. In the frame of ensemble, an improved class-modeling algorithm based on one-class partial least square (OCPLS) (named as “EOCPLS”) was proposed to construct the predictive model. Its performance is better than the original OCPLS. The sensitivity, specificity, and accuracy of the ECOPLS model on the test set were all equal to 1 based only on the score distance (SD) value. The results show that NIR spectroscopy together with the proposed procedure is effective and feasible for identifying the phenolphthalein in weight-loss pills.