Rapid discrimination of Herba Cistanches by multi-step infrared macro-fingerprinting combined with soft independent modeling of class analogy (SIMCA)

• The chemical constituents of the four species of Herba Cistanche were analyzed by IR spectroscopy comprehensively.
• Multi-step IR macro-fingerprinting combined with statistical classification was developed to discriminate the four species.
• 179 batches of the four Herba Cistanches were objectively classified by SIMCA based on IR macro-fingerprints.

Herba Cistanche, an important Chinese herbal medicine, has common four species, Cistanche deserticola (CD), Cistanche tubulosa (CT), Cistanche salsa (CS) and Cistanche sinensis (CSN) which have been frequent mixed used. To clarify the sources of Herba Cistanches and ensure the clinical efficacy and safety, a method combing IR macro-fingerprinting with statistical pattern recognition was developed to analyze and discriminate the four species of Herba Cistanche. By comparing FT-IR, second derivative spectral fingerprints via group-peak matching, the similarity to CD and total saccharides (TS) followed an increasing sequence, CT < CSN < CS < CD, whereas that to total glycosides (TG) followed a decreasing order, CT > CSN > CS > CD. Characteristic fingerprints of their 2D-IR correlation spectra in 1750–1000 cm−1 have confirmed the above findings in a more intuitive way. In terms of sources for phenylethanoid glycosides (PhGs), CT can be an ideal alternative species. However, in terms of using them as a whole, more pharmacological study should be conducted due to the different ratios of their chemical constituents, which is also applicable to CSN and CS. Moreover, the four species (179 samples) has been objectively classified by SIMCA based on IR macro-fingerprints.

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