Color discrimination and gas chromatography-mass spectrometry fingerprint based on chemometrics analysis for the quality evaluation of Schizonepetae Spica

Abstract

Schizonepetae Spica (SS), the dried spike of Schizonepeta tenuifolia Briq., is a traditional Chinese medicinal herb. According to the color of persistent calyx, SS is categorized into two classes: the yellowish-green-type and the brownish-type. Based on the chemometrics analysis of gas chromatography-mass spectrometry (GC-MS), a novel model of identifying and evaluating the quality of SS in different colors was constructed for the first time in this work. 20 batches SS samples of different colors were collected and used to extract essential oils. The average essential oils yield of SS in yellowish-green color was significantly higher than that of SS in brownish color from the same origin (p<0.05). The GC-MS fingerprints of 20 batches SS samples whose correlation coefficients were over 0.964 demonstrated SS samples were consistent to some extent in spite of slightly different chemical indexes. A total of 39 common volatiles compounds were identified. Hierarchical clustering analysis (HCA), principal component analysis (PCA) and partial least-squares discriminate analysis (PLS-DA) were developed to distinguish SS samples characterized by different colors. Consistent results were obtained to show that SS samples could be successfully grouped according to their color. Finally, 4,5,6,7-tetrahydro-3,6-dimethyl-benzofuran and pulegone were detected as the key variables for discriminating SS samples of different colors and for quality control. The obtained results proved that SS of good quality were often yellowishgreen and those of poor quality were often brownish.

The Potential Transformation Mechanisms of the Marker Components of Schizonepetae Spica and Its Charred Product

“…The number of identified peaks in SS and SSC were 39 and 62, accounting for 93.90% and 74.56% of their total volatile content, respectively. The main volatile constituents (>1%) of SS included V18 ( l -menthone, 13.05%), V19 (menthofuran, 3.18%), V20 ( trans -5-methyl-2-(1-methylvinyl)cyclohexan-1-one, 2.84%), V25 (2-allyl-4-methylphenol, 1.11%), V26 (pulegone, 58.70%), V37 (3-methyl-6-(1-methylethylidene)cyclohex-2-en-1-one, 3.21%), V48 (caryophyllene, 1.28%) and V83 (linolenic acid, 2.67%), a result that was in accordance with the findings of recent studies [ 27 , 28 ]. The volatile composition and relative contents of SS notably changed after processing by stir-frying, as V18 ( l -menthone, 1.84%), V19 (menthofuran, 1.46%), V20 ( trans -5-methyl-2-(1-methylvinyl)cyclohexan-1-one, 1.75%), V26 (pulegone, 27.44%), V35 (2,5,6-trimethylbenzimidazole, 1.01%), V61 (caryophyllene oxide, 1.40%), V72 (3,7,11-trimethyl-1-dodecanol, 1.49%), V73 (neophytadiene, 10.11%), V75 (phytol acetate, 1.58%), V77 (3,7,11,15-tetramethyl-2-hexadecen-1-ol, 3.95%), V80 (methyl palmitate, 1.56%) and V82 (methyl linolenate, 1.28%) were determined to be the main volatile constituents of SSC.…”

Comprehensive Quality Evaluation for Medicinal and Edible Ziziphi Spinosae Semen before and after Rancidity Based on Traditional Sensory, Physicochemical Characteristics, and Volatile Compounds

“…Sensory indicators of color, taste, and odor are the key evaluation indexes of TCMs, which are considered to be important components and intuitive attributes in the identification of traits [ 13 , 14 , 15 ]. Ben Cao Yuan Shi, the book of Origins of the Materia Medica, emphasized the significance of color, taste, and odor as identifiers of high-quality medicinal herbs [ 16 ].…”

Gas-Mediated Intestinal Microbiome Regulation Prompts the Methanol Extract of Schizonepetae Spica to Relieve Colitis

“…Natural plants, especially medicine food homology and functional foods, are increasingly used, for instance, Schizonepetae Spica , the dried flower spike of Schizonepetae Herba [ 7 , 8 ]. Traditional Chinese medicine believes that the incidence of UC is related to dampness, and it has been found that the windproof effect of Schizonepetae Herba can significantly improve the symptoms of abdominal pain, diarrhea, pus and bloody stool in patients with colitis [ 9 , 10 ].…”