title: Rapid characterization of Ziziphi Spinosae Semen by UPLC/Qtof MS with novel informatics platform and its application in evaluation of two seeds from Ziziphus species.
abstract: A strategy for rapid identification of target and non-target components from traditional Chinese medicines (TCMs) extracts were proposed by utilizing the UNIFI informatics platform for the computer-assisted UPLC/Qtof MS data analyses. Ziziphi Spinosae Semen (ZSS) contains various bioactive chemical ingredients, such as flavonoids, saponins, alkaloids and terpenes. Currently, there is no method that allows rapid and comprehensive identification of these multiple components. The rapid identification of chemical components in ZSS was successfully achieved with this strategy. As a result, 60 target components were identified and 53 non-target components were characterized. Among them, chemical structures of 40 new components were deduced based on their characteristic MS fragmentation patterns. In addition, the chemical ingredients of Ziziphi Mauritianae Semen (ZMS), which is often used as substitution of ZSS, were also investigated with the same strategy. A total of 132 chemical components were identified from these two plants, including 7 additional non-target new components. It demonstrated that this strategy not only facilitated an efficient protocol for the screening and identification of target components, but also offered a new perspective on discovering non-target components in TCMs or other herbal medicines. Furthermore, 48 components were selected for semi-quantitative analyses to evaluate the difference in chemical ingredients between these two seeds of Ziziphus species. The results showed that ZSS enriched many saponins, while ZMS contained few saponins. On the contrary, many cyclopeptide alkaloids could be detected in ZMS with high content, but rare in ZSS. These results can be used for the differentiation between ZSS and its adulterant (ZMS), and also to set a scientific foundation for the establishment of quality control of ZSS.
authors: Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People's Republic of China.
authors: Feng-xiang
authors: FX
authors: Zhang
authors: Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People's Republic of China.
authors: Min
authors: M
authors: Li
authors: Waters Corporation Shanghai, Shanghai 201206, People's Republic of China.
authors: Li-rui
authors: LR
authors: Qiao
authors: Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People's Republic of China.
authors: Zhi-hong
authors: ZH
authors: Yao
authors: College of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China.
authors: Chang
authors: C
authors: Li
authors: College of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China.
authors: Xiu-yu
authors: XY
authors: Shen
authors: College of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China.
authors: Yu
authors: Y
authors: Wang
authors: Waters Corporation Shanghai, Shanghai 201206, People's Republic of China.
authors: Kate
authors: K
authors: Yu
authors: Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People's Republic of China; College of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China.
authors: Xin-sheng
authors: XS
authors: Yao
authors: Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People's Republic of China. Electronic address: daiyi1004@163.com.
authors: Yi
authors: Y
authors: Dai
mesh_terms: D000470:Alkaloids / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D004365:Drugs, Chinese Herbal / Q000737:chemistry; D005419:Flavonoids / Q000737:chemistry; D013058:Mass Spectrometry / Q000379:methods*; D010946:Plants, Medicinal / Q000737:chemistry; D011786:Quality Control; D012503:Saponins / Q000737:chemistry; D012639:Seeds / Q000737:chemistry*; D013729:Terpenes / Q000737:chemistry; D031957:Ziziphus / Q000737:chemistry*
chemical_list: D000470:Alkaloids; D004365:Drugs, Chinese Herbal; D005419:Flavonoids; D012503:Saponins; D013729:Terpenes
keywords: Rapid identification of chemical constituents of TCMs; UNIFI informatics platform; UPLC/Qtof MS; Ziziphi Mauritianae Semen; Ziziphi Spinosae Semen