title: The rapid discovery and identification of physalins in the calyx of Physalis alkekengi L.var.franchetii (Mast.) Makino using ultra-high performance liquid chromatography-quadrupole time of flight tandem mass spectrometry together with a novel three-step data mining strategy.
abstract: Physalins, uniquely discovered from genus physalis, showed significant bioactivities in many aspects. It is therefore very important for the exploration of natural resources rich of physalins. However, there is no efficient approach for rapid discovery and identification of this class of compounds due to their structural complexity. To address the issue, the fragmentation pathways and correspondingly fragmentation rules of physalins in negative MS/MS mode were thoroughly investigated in this study using seven physalin standards. As a result, diagnostic ions for the rapid screening of physalins and classification of different types of physalins were determined based on their MS/MS fragmentation patterns. On top of that, an integrated approach using UHPLC-QTOF-MS/MS together with a novel three-step data mining strategy was developed for the systematic analysis of physalins in complex samples. Consequently, 46 physalins including 20 novel ones were efficiently discovered and identified from the crude extracts of Ph. alkekengi calyx. The present study laid a foundation for future study of different parts of Ph. alkekengi and other physalis species with regard to rapid discovery of novel physalins. In addition, this study provided a base for establishing a quality control method of the raw materials of Ph. alkekengi according to the profile of physalins.
authors.affiliation: Tongji School of Pharmacy, Huazhong University of Science and Technology, 13 Hangkong Road, Wuhan, Hubei 430030, China.
authors.forename: Cai
authors.initials: C
authors.lastname: Huang
authors.affiliation: College of Pharmaceutical Science, Soochow University, Suzhou, Jiangsu 215123, China.
authors.forename: Qiongming
authors.initials: Q
authors.lastname: Xu
authors.affiliation: Tongji School of Pharmacy, Huazhong University of Science and Technology, 13 Hangkong Road, Wuhan, Hubei 430030, China.
authors.forename: Chang
authors.initials: C
authors.lastname: Chen
authors.affiliation: Tongji School of Pharmacy, Huazhong University of Science and Technology, 13 Hangkong Road, Wuhan, Hubei 430030, China.
authors.forename: Chengwu
authors.initials: C
authors.lastname: Song
authors.affiliation: Medical Research Center, Humanwell Healthcare (Group) Co., Ltd., 666 Gao xin Road, Wuhan, Hubei 430075, China.
authors.forename: Yong
authors.initials: Y
authors.lastname: Xu
authors.affiliation: Tongji School of Pharmacy, Huazhong University of Science and Technology, 13 Hangkong Road, Wuhan, Hubei 430030, China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Xiang
authors.affiliation: Jiangxi University of Traditional Chinese Medicine, Nanchang 330006, China.
authors.forename: Yulin
authors.initials: Y
authors.lastname: Feng
authors.affiliation: Jiangxi University of Traditional Chinese Medicine, Nanchang 330006, China.
authors.forename: Hui
authors.initials: H
authors.lastname: Ouyang
authors.affiliation: Department of Pharmacy, Tongji Hospital of Tongji Medical College, Huazhong University of Science and Technology, 13 Hangkong Road, Wuhan, Hubei 430030, China.
authors.forename: Yang
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Tongji School of Pharmacy, Huazhong University of Science and Technology, 13 Hangkong Road, Wuhan, Hubei 430030, China. Electronic address: jianghongliang@hust.edu.cn.
authors.forename: Hongliang
authors.initials: H
authors.lastname: Jiang
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D057225:Data Mining; D032321:Physalis / Q000737:chemistry*; D053719:Tandem Mass Spectrometry / Q000379:methods*; D013997:Time Factors
keywords: Data mining strategy; Physalins; Physalis alkekengi L.var.franchetii (Mast.) Makino; QTOF-MS/MS; Structural identification; UHPLC