Characterization of the potential new phthalides in Ligusticum chuanxiong Hort. using ultra-performance liquid chromatography coupled with quadrupole time of flight tandem mass spectrometry.
The characterization of unknown compounds is still a great challenge currently. A strategy for deduction of potential new phthalides through the characterization of isomers based on ultra-performance liquid chromatography coupled with quadrupole time of flight tandem mass spectrometry was proposed here to characterize the unknown compounds of Ligusticum chuanxiong Hort. (Chuanxiong). This proposed strategy consisted of four steps: (1) the high resolution MS data was collected, and the peaks were screened preliminarily by UNIFITM platform based on the in-house database; (2) the fragmentation patterns and the characteristic fragments were summarized based on the representative standards; (3) the target compounds were identified based on the fragmentation rules, standards comparison and false positive exclusion; (4) the unknown components were structurally characterized according to the accurate mass and fragmentation patterns analysis. This strategy was successfully applied to the identification and deduction of phthalides in Chuanxiong. A total of 81 phthalides were detected. Fifty-five known phthalides were identified, and 26 potential new phthalides were characterized. This research enriched the material basis of Chuanxiong, and provided a liquid chromatography tandem mass spectrometry-oriented method for the discovery of the potential new compounds.
Five new phthalide derivatives, chuanxiongnolides L1–L5 (1–5), together with three known phthalide dimers (6–8), were isolated from the rhizomes of Ligusticum chuanxiong Hort.. Compound 1 represents a novel type of phthalide derivative, biogenetically derived from coniferyl alcohol and ligustilide. Compound 2 is the first example of an E-ring expanded phthalide dimer with a 5/6/6/6/6 fused-ring system, which is different from the 5/6/6/6/5 fused-ring system in normal phthalide dimers. Their stru...
Abstract Structural identification of natural products by tandem mass spectrometry requires laborious spectral analysis. Herein, we report a targeted post-acquisition data processing strategy, key ion filtering (KIF), to analyze untargeted mass spectral data. This strategy includes four steps: (1) untargeted data acquisition by ultra-high performance liquid chromatography coupled with hybrid quadrupole orbitrap mass spectrometry (UHPLC/orbitrap-MS); (2) construction of a key ion database accordi...
#1Jia-Yu Zhang(Beijing University of Chinese Medicine)H-Index: 18
#2Zijian Wang(Beijing University of Chinese Medicine)H-Index: 6
Last. Yanjiang Qiao(Beijing University of Chinese Medicine)H-Index: 17
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Abstract The analytical methodologies for evaluation of multi-component system in traditional Chinese medicines (TCMs) have been inadequate or unacceptable. As a result, the unclarity of multi-component hinders the sufficient interpretation of their bioactivities. In this paper, an ultra-high-performance liquid chromatography coupled with linear ion trap–Orbitrap (UPLC–LTQ–Orbitrap)-based strategy focused on the comprehensive identification of TCM sequential constituents was developed. The strat...
In this study, an accelerated solvent extraction dispersive liquid-liquid microextraction coupled with gas chromatography and mass spectrometry was established and employed for the extraction, concentration and analysis of essential oil constituents from Ligusticum chuanxiong Hort. Response surface methodology was performed to optimize the key parameters in accelerated solvent extraction on the extraction efficiency, and key parameters in dispersive liquid-liquid microextraction were discussed a...
Last. Sainan Li(Northeast Normal University)H-Index: 12
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Circulating ultrasonic-assisted extraction (CUAE) was developed as a novel method for extraction of medicinal herbs, and the method was validated. In addition, the novel hyphenated technique comprising CUAE coupled with countercurrent chromatography (CCC) and centrifugal partition chromatography (CPC) was developed and applied to the continuous extraction and online isolation of chemical constituents from Ligusticum chuanxiong Hort. The optimum extraction parameters, including the extraction tim...
#1Xiao-Lin Zhang(CPU: China Pharmaceutical University)H-Index: 2
#2Li-Fang Liu(CPU: China Pharmaceutical University)H-Index: 13
Last. Hong-Xi Xu(SHU: Shanghai University)H-Index: 71
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Abstract A high performance liquid chromatography-photodiode array detector (HPLC-PDA) fingerprinting and ultra high performance liquid chromatography-photodiode array detector coupled with quadrupole time-of-flight mass spectrometry (UHPLC-PDA-QTOF-MS/MS) based chemical profiling approach was developed to rapidly find characteristic chemical markers for quality control of dispensing granules, taking Chuanxiong Rhizoma (CR) as a model herb. Firstly, CR crude drugs, their traditional decoctions a...
Last. Zhi-Ling Yu(Hong Kong Baptist University)H-Index: 36
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Over recent decades sulfur fumigation has been becoming abused in processing some freshly harvested Chinese medicinal herbs, although it is questioned whether sulfur fumigation can result in changes in efficacy and safety of the herbs. One of the herbs commonly processed by sulfur fumigation is Codonopsis Radix (Dangshen). A report showed that lobetyolin content in sulfur-fumigated Dangshen was lower than in air-dried Dangshen. Whereas there is no investigation designed to compare the chemical p...
Chuanxiong Rhizoma (Chuan-Xiong, CX), the dried rhizome of Ligusticum chuanxiong Hort. (Umbelliferae), is one of the most popular plant medicines in the World. Modern research indicates that organic acids, phthalides, alkaloids, polysaccharides, ceramides and cerebrosides are main components responsible for the bioactivities and properties of CX. Because of its complex constituents, multidisciplinary techniques are needed to validate the analytical methods that support CX’s use worldwide. In the...
Last. De-An Guo(PKU: Peking University)H-Index: 68
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Abstract To discover new natural compounds from herbal medicines tends to be more and more difficult. In this paper, a strategy integrating orthogonal column chromatography and liquid chromatography/mass spectrometry (LC/MS) analysis was proposed, and was applied for rapid discovery of new ginsenosides from Panax ginseng (PG), Panax quinquefolium (PQ), and Panax notoginseng (PN). The ginsenosides extracts were fractionated by MCI gel × silica gel orthogonal column chromatography. The fractions w...
#1Tong Xie(CPU: China Pharmaceutical University)H-Index: 11
#2Yan Liang(CPU: China Pharmaceutical University)H-Index: 23
Last. Guangji Wang(CPU: China Pharmaceutical University)H-Index: 62
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This study was to develop and evaluate a practical approach of mass defect filtering (MDF), a post-acquisition data processing technique, for the rapid classification of complicated peaks into well-known chemical families based on the exact mass acquired by high resolution mass spectrometry. The full-scan LC–MS/MS data of the Ophiopogon japonicus extract was acquired using high performance liquid chromatography coupled with hybrid quadrupole-time of flight (LCMS-Q-TOF) system which features high...
Abstract Xin-Nao-Kang Capsule (XNKC), a well-known traditional Chinese medicine (TCM), is widely used for the treatment of angina pectoris, cerebral arteriosclerosis and coronary artery disease in China. However, the chemical components have not been holistically explored. In this study, a total of 173 chemical components including 48 flavonoids, 8 lactones, 35 acids, 12 phenanthraquinones, 8 monoterpene glycosides, 32 triterpenoids and 30 other compounds were identified, among which 37 were una...
Ligustrazine, an alkaloid monomer extracted from Chuanxiong Rhizoma, has the function of protecting nerve cells. However, the effect and mechanism of ligustrazine on retinal ischemia/reperfusion (I...
Last. Weidong Chen(Anhui University of Chinese Medicine)H-Index: 12
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Taohong Siwu Decoction is a classic Chinese medicine prescription for treatment of cerebral ischemia and gynecological diseases. However, the active ingredients of Taohong Siwu Decoction have not been identified. In this study, a ultra performance liquid chromatography quadrupole time-of-flight mass system was used to analyze the active components and metabolites of Taohong Siwu Decoction absorbed into the blood and the brain. A total of 39 active compounds and 90 metabolites were identified in ...
Abstract Over the last decade, advances related to high-resolution mass spectrometry (HRMS) have led to improved capabilities for non-targeted chemical analyses. Important applications for these capabilities include identifying unknown xenobiotics and discovering emerging contaminants in human samples as exposure biomarkers. Despite technological advances, identifying unknown compounds by non-targeted analyses remains challenging due in part to the lack of MS spectral libraries and inherent samp...
Last. Jian-Bo Wan(CDUTCM: Chengdu University of Traditional Chinese Medicine)H-Index: 39
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The dry root and rhizome of Ligusticum chuanxiong Hort., or Chuanxiong, has been used as a blood-activating and stasis-removing traditional Chinese medicine for 1000 years. Our previous studies have shown the inhibitory activity on platelet and thrombin (THR) of Chuanxiong. THR and factor Xa (FXa) play significant roles in the coagulation cascade and their inhibitors are of valuable in the treatment of thromboembolic diseases. The aim of the present study is to screen THR and FXa inhibitors from...
Last. Pei-Cheng Zhang(Peking Union Medical College)H-Index: 20
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Phytochemical investigation of the rhizome of Ligusticum chuanxiong Hort led to the isolation and identification of three new compounds, chuanxiongoside A, (2E,4E)-8-(6-O-inositolyl)-8-oxo-2,7-dimethyl-octadienoic acid (2), chuanxiongoside C (3). The structures of these compounds were unambiguously established by HR-ESI-MS, UV, IR, CD, NMR spectral data and comparison to reported data. All the isolated compounds (1-3) were investigated for their inhibitory effects on nitric oxide (NO) production...
Last. Jianhua Wang(Chongqing University)H-Index: 1
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: Targeted liquid chromatography-tandem mass spectrometry (LC-MS/MS) is a robust and reliable tool in quantitative analysis of pesticide residues in food samples. However, these methods have been only targeted to a predefined set of pesticides. Many other unexpected pesticides and/or their (bio)transformation products present in food matrices that may be harmful to consumers need to be discovered for food safety monitoring purpose. Therefore, non-targeted screening approaches using liquid chroma...
Last. Zhihong Yao(JNU: Jinan University)H-Index: 16
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Abstract DanLou tablet (DLT), a famous traditional Chinese medicine prescription (TCMP) consisting of 10 herbal medicines, is extensively used for the treatment of angina pectoris and acute coronary syndrome in China. However, active chemical constituents responsible for the therapeutic effects still remains unclear, due to the fact that the complex composition in DLT have not been holistically clarified. Therefore, this study aimed to characterize the chemical profile and simultaneously quantif...
#1Wen Luo(HMU: Harbin Medical University)H-Index: 2
#2Jiawen Zhang(HMU: Harbin Medical University)H-Index: 2
Last. Wei Zhang(HMU: Harbin Medical University)H-Index: 5
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Metabolomics methods can be used to explore the effect mechanisms underlying treatments with traditional medicine. Lung cancer (LC) causes the highest morbidity and mortality among tumors disease, and has become a serious public health problem. Chuanxiong (CX) is a dried rhizome of Ligusticum Chuanxiong Hort., often used in traditional Chinese medicine and has been widely used in the treatment for tumors. However, the pharmacological effect of CX on the metabolism process of LC mice is still unc...
#1Jie Liu(Beijing University of Chinese Medicine)H-Index: 5
#2Mingxia Wang(Beijing University of Chinese Medicine)H-Index: 2
Last. Hongbin Xiao(Beijing University of Chinese Medicine)H-Index: 21
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: Comprehensive characterization of the large number of compounds existing in traditional Chinese medicines is still a great challenge. In this study, a strategy of precursor ion selected acquisition coupled with target and nontarget data mining was established to systematically characterize the chemical constituents of traditional Chinese medicines. This strategy consisted of four steps: (1) precursor ion selected acquisition was developed to trigger additional tandem mass spectrometry fragment...
