Combination ATR-FTIR with Multiple Classification Algorithms for Authentication of the Four Medicinal Plants from Curcuma L. in Rhizomes and Tuberous Roots

Abstract

Curcumae Longae Rhizoma (CLRh), Curcumae Radix (CRa), and Curcumae Rhizoma (CRh), derived from the different medicinal parts of the Curcuma species, are blood-activating analgesics commonly used for promoting blood circulation and relieving pain. Due to their certain similarities in chemical composition and pharmacological effects, these three herbs exhibit a high risk associated with mixing and indiscriminate use. The diverse methods used for distinguishing the medicinal origins are complex, time-consuming, and limited to intraspecific differentiation, which are not suitable for rapid and systematic identification. We developed a rapid analysis method for identification of affinis and different medicinal materials using attenuated total reflection-Fourier-transform infrared spectroscopy (ATR-FTIR) combined with machine learning algorithms. The original spectroscopic data were pretreated using derivatives, standard normal variate (SNV), multiplicative scatter correction (MSC), and smoothing (S) methods. Among them, 1D + MSC + 13S emerged as the best pretreatment method. Then, t-distributed stochastic neighbor embedding (t-SNE) was applied to visualize the results, and seven kinds of classification models were constructed. The results showed that support vector machine (SVM) modeling was superior to other models and the accuracy of validation and prediction was preferable, with a modeling time of 127.76 s. The established method could be employed to rapidly and effectively distinguish the different origins and parts of Curcuma species and thus provides a technique for rapid quality evaluation of affinis species.