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Article: [Chemical constituents and mechanism of Chuanzhi Tongluo Capsules based on UPLC-Q-Exactive Orbitrap-MS and network pharmacology].

Yang, Ke-Nan / Guan, Yong-Xia / Fan, Jian-Wei / Yuan, Xiao-Mei / Zhang, Long-Fei / Liu, Qian / Li, Jing

Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica

2023 Volume 48, Issue 19, Page(s) 5216–5234

Abstract: ... mass spectrometry(UPLC-Q-Exactive Orbitrap-MS) to clarify the pharmacological substance basis. In addition, network ...

Abstract	The chemical constituents of Chuanzhi Tongluo Capsules were analyzed and identified using ultra-high performance liquid chromatography-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry(UPLC-Q-Exactive Orbitrap-MS) to clarify the pharmacological substance basis. In addition, network pharmacology was employed to explore the mechanism of Chuanzhi Tongluo Capsules in the treatment of cerebral infarction. Gradient elution was performed using acetonitrile and 1% acetic acid in water as the mobile phase. Mass spectrometry was performed in positive and negative ion modes. Xcalibur 4.2 software was used for compound analysis, including accurate mass-to-charge ratio and MS/MS fragment information, combined with the comparison of reference standards and literature data. A total of 152 compounds were identified, including 32 organic acids, 35 flavonoids and their glycosides, 33 diterpenes, 13 phthalides, 12 triterpenes and triterpene saponins, 23 nitrogen-containing compounds, and 4 other compounds, and their fragmentation patterns were analyzed. SwissTargetPrediction, GeneCards, DAVID, and other databases were used to predict and analyze the core targets and mechanism of Chuanzhi Tongluo Capsules. Protein-protein interaction(PPI) network topology analysis identified 10 core targets, including TNF, VEGFA, EGFR, IL1B, and CTNNB1. KEGG enrichment analysis showed that Chuanzhi Tongluo Capsules mainly exerted their effects through the regulation of lipid and atherosclerosis, glycoproteins in cancer, MicroRNAs in cancer, fluid shear stress, and atherosclerosis-related pathways. Molecular docking was performed between the key constituents and core targets, and the results demonstrated a strong binding affinity between the key constituents of Chuanzhi Tongluo Capsules and the core targets. This study comprehensively elucidated the chemical constituents of Chuanzhi Tongluo Capsules and explored the core targets and mechanism in the treatment of cerebral infarction based on network pharmacology, providing a scientific reference for the study of the pharmacological substance basis and formulation quality standards of Chuanzhi Tongluo Capsules.
MeSH term(s)	Humans ; Tandem Mass Spectrometry/methods ; Chromatography, High Pressure Liquid/methods ; Molecular Docking Simulation ; Network Pharmacology ; Drugs, Chinese Herbal/pharmacology ; Capsules ; Atherosclerosis ; Cerebral Infarction ; Neoplasms
Chemical Substances	tongluo ; Drugs, Chinese Herbal ; Capsules
Language	Chinese
Publishing date	2023-12-17
Publishing country	China
Document type	English Abstract ; Journal Article
ZDB-ID	1004649-5
ISSN	1001-5302 ; 0254-0029
ISSN	1001-5302 ; 0254-0029
DOI	10.19540/j.cnki.cjcmm.20230614.302
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Article ; Online: Enhanced Formation of 6PPD-Q during the Aging of Tire Wear Particles in Anaerobic Flooded Soils: The Role of Iron Reduction and Environmentally Persistent Free Radicals.

Xu, Qiao / Li, Gang / Fang, Li / Sun, Qian / Han, Ruixia / Zhu, Zhe / Zhu, Yong-Guan

Environmental science & technology

2023 Volume 57, Issue 14, Page(s) 5978–5987

Abstract: Rapid urbanization drives increased emission of tire wear particles (TWPs) and the contamination of a transformation product derived from tire antioxidant, termed ... ...

Abstract	Rapid urbanization drives increased emission of tire wear particles (TWPs) and the contamination of a transformation product derived from tire antioxidant, termed as
MeSH term(s)	Humans ; Anaerobiosis ; Free Radicals/chemistry ; Iron/chemistry ; Soil ; Phenylenediamines/chemistry ; Benzoquinones/chemistry ; Oxidation-Reduction ; Biodegradation, Environmental ; Wettability ; Wetlands
Chemical Substances	Free Radicals ; Iron (E1UOL152H7) ; Soil ; N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine quinone ; Phenylenediamines ; Benzoquinones
Language	English
Publishing date	2023-03-29
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ISSN	1520-5851
ISSN (online)	1520-5851
DOI	10.1021/acs.est.2c08672
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Article ; Online: Compact passively Q-switched single-frequency distributed Bragg reflector fiber laser at 2.0 µm.

Fang, Siyuan / Zhou, Bilei / Guan, Zhe / Yang, Changsheng / Zhao, Qilai / Lin, Wei / Feng, Zhouming / Xu, Shanhui

Applied optics

2022 Volume 60, Issue 34, Page(s) 10684–10688

Abstract: Based mainly on the distributed Bragg reflector (DBR) short linear cavity with a 1.6-cm-long ... ...

Abstract	Based mainly on the distributed Bragg reflector (DBR) short linear cavity with a 1.6-cm-long heavily
Language	English
Publishing date	2022-02-21
Publishing country	United States
Document type	Journal Article
ISSN	1539-4522
ISSN (online)	1539-4522
DOI	10.1364/AO.443962
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Article ; Online: Observation of Significant Flavor-SU(3) Breaking in the Kaon Wave Function at 12<Q^{2}<25 GeV^{2} and Discovery of the Charmless Decay ψ(3770)→K_{S}^{0}K_{L}^{0}.

Ablikim, M / Achasov, M N / Adlarson, P / Ai, X C / Aliberti, R / Amoroso, A / An, M R / An, Q / Bai, Y / Bakina, O / Balossino, I / Ban, Y / Bao, H-R / Batozskaya, V / Begzsuren, K / Berger, N / Berlowski, M / Bertani, M / Bettoni, D /

Bianchi, F / Bianco, E / Bortone, A / Boyko, I / Briere, R A / Brueggemann, A / Cai, H / Cai, X / Calcaterra, A / Cao, G F / Cao, N / Cetin, S A / Chang, J F / Chang, T T / Chang, W L / Che, G R / Chelkov, G / Chen, C / Chen, Chao / Chen, G / Chen, H S / Chen, M L / Chen, S J / Chen, S L / Chen, S M / Chen, T / Chen, X R / Chen, X T / Chen, Y B / Chen, Y Q / Chen, Z J / Choi, S K / Chu, X / Cibinetto, G / Coen, S C / Cossio, F / Cui, J J / Dai, H L / Dai, J P / Dbeyssi, A / de Boer, R E / Dedovich, D / Deng, Z Y / Denig, A / Denysenko, I / Destefanis, M / De Mori, F / Ding, B / Ding, X X / Ding, Y / Dong, J / Dong, L Y / Dong, M Y / Dong, X / Du, M C / Du, S X / Duan, Z H / Egorov, P / Fan, Y H / Fang, J / Fang, S S / Fang, W X / Fang, Y / Fang, Y Q / Farinelli, R / Fava, L / Feldbauer, F / Felici, G / Feng, C Q / Feng, J H / Fischer, K / Fritsch, M / Fu, C D / Fu, J L / Fu, Y W / Gao, H / Gao, Y N / Gao, Yang / Garbolino, S / Garzia, I / Ge, P T / Ge, Z W / Geng, C / Gersabeck, E M / Gilman, A / Goetzen, K / Gong, L / Gong, W X / Gradl, W / Gramigna, S / Greco, M / Gu, M H / Gu, Y T / Guan, C Y / Guan, Z L / Guo, A Q / Guo, L B / Guo, M J / Guo, R P / Guo, Y P / Guskov, A / Gutierrez, J / Han, T T / Han, W Y / Hao, X Q / Harris, F A / He, K K / He, K L / Heinsius, F H H / Heinz, C H / Heng, Y K / Herold, C / Holtmann, T / Hong, P C / Hou, G Y / Hou, X T / Hou, Y R / Hou, Z L / Hu, B Y / Hu, H M / Hu, J F / Hu, T / Hu, Y / Huang, G S / Huang, K X / Huang, L Q / Huang, X T / Huang, Y P / Hussain, T / Hüsken, N / In der Wiesche, N / Irshad, M / Jackson, J / Jaeger, S / Janchiv, S / Jeong, J H / Ji, Q / Ji, Q P / Ji, X B / Ji, X L / Ji, Y Y / Jia, X Q / Jia, Z K / Jiang, H J / Jiang, P C / Jiang, S S / Jiang, T J / Jiang, X S / Jiang, Y / Jiao, J B / Jiao, Z / Jin, S / Jin, Y / Jing, M Q / Jing, X M / Johansson, T / Kui, X / Kabana, S / Kalantar-Nayestanaki, N / Kang, X L / Kang, X S / Kavatsyuk, M / Ke, B C / Khachatryan, V / Khoukaz, A / Kiuchi, R / Kliemt, R / Kolcu, O B / Kopf, B / Kuessner, M / Kupsc, A / Kühn, W / Lane, J J / Larin, P / Lavania, A / Lavezzi, L / Lei, T T / Lei, Z H / Leithoff, H / Lellmann, M / Lenz, T / Li, C / Li, C H / Li, Cheng / Li, D M / Li, F / Li, G / Li, H / Li, H B / Li, H J / Li, H N / Li, Hui / Li, J R / Li, J S / Li, J W / Li, Ke / Li, L J / Li, L K / Li, Lei / Li, M H / Li, P R / Li, Q X / Li, S X / Li, T / Li, W D / Li, W G / Li, X H / Li, X L / Li, Xiaoyu / Li, Y G / Li, Z J / Li, Z X / Liang, C / Liang, H / Liang, Y F / Liang, Y T / Liao, G R / Liao, L Z / Liao, Y P / Libby, J / Limphirat, A / Lin, D X / Lin, T / Liu, B J / Liu, B X / Liu, C / Liu, C X / Liu, F H / Liu, Fang / Liu, Feng / Liu, G M / Liu, H / Liu, H B / Liu, H M / Liu, Huanhuan / Liu, Huihui / Liu, J B / Liu, J Y / Liu, K / Liu, K Y / Liu, Ke / Liu, L / Liu, L C / Liu, Lu / Liu, M H / Liu, P L / Liu, Q / Liu, S B / Liu, T / Liu, W K / Liu, W M / Liu, X / Liu, Y / Liu, Y B / Liu, Z A / Liu, Z Q / Lou, X C / Lu, F X / Lu, H J / Lu, J G / Lu, X L / Lu, Y / Lu, Y P / Lu, Z H / Luo, C L / Luo, M X / Luo, T / Luo, X L / Lyu, X R / Lyu, Y F / Ma, F C / Ma, H / Ma, H L / Ma, J L / Ma, L L / Ma, M M / Ma, Q M / Ma, R Q / Ma, X Y / Ma, Y / Ma, Y M / Maas, F E / Maggiora, M / Malde, S / Malik, Q A / Mangoni, A / Mao, Y J / Mao, Z P / Marcello, S / Meng, Z X / Messchendorp, J G / Mezzadri, G / Miao, H / Min, T J / Mitchell, R E / Mo, X H / Moses, B / Muchnoi, N Yu / Muskalla, J / Nefedov, Y / Nerling, F / Nikolaev, I B / Ning, Z / Nisar, S / Niu, Q L / Niu, W D / Niu, Y / Olsen, S L / Ouyang, Q / Pacetti, S / Pan, X / Pan, Y / Pathak, A / Patteri, P / Pei, Y P / Pelizaeus, M / Peng, H P / Peng, Y Y / Peters, K / Ping, J L / Ping, R G / Plura, S / Prasad, V / Qi, F Z / Qi, H / Qi, H R / Qi, M / Qi, T Y / Qian, S / Qian, W B / Qiao, C F / Qin, J J / Qin, L Q / Qin, X S / Qin, Z H / Qiu, J F / Qu, S Q / Redmer, C F / Ren, K J / Rivetti, A / Rolo, M / Rong, G / Rosner, Ch / Ruan, S N / Salone, N / Sarantsev, A / Schelhaas, Y / Schoenning, K / Scodeggio, M / Shan, K Y / Shan, W / Shan, X Y / Shangguan, J F / Shao, L G / Shao, M / Shen, C P / Shen, H F / Shen, W H / Shen, X Y / Shi, B A / Shi, H C / Shi, J L / Shi, J Y / Shi, Q Q / Shi, R S / Shi, X / Song, J J / Song, T Z / Song, W M / Song, Y J / Song, Y X / Sosio, S / Spataro, S / Stieler, F / Su, Y J / Sun, G B / Sun, G X / Sun, H / Sun, H K / Sun, J F / Sun, K / Sun, L / Sun, S S / Sun, T / Sun, W Y / Sun, Y / Sun, Y J / Sun, Y Z / Sun, Z T / Tan, Y X / Tang, C J / Tang, G Y / Tang, J / Tang, Y A / Tao, L Y / Tao, Q T / Tat, M / Teng, J X / Thoren, V / Tian, W H / Tian, Y / Tian, Z F / Uman, I / Wan, Y / Wang, S J / Wang, B / Wang, B L / Wang, Bo / Wang, C W / Wang, D Y / Wang, F / Wang, H J / Wang, J P / Wang, K / Wang, L L / Wang, M / Wang, Meng / Wang, N Y / Wang, S / Wang, T / Wang, T J / Wang, W / Wang, W P / Wang, X / Wang, X F / Wang, X J / Wang, X L / Wang, Y / Wang, Y D / Wang, Y F / Wang, Y L / Wang, Y N / Wang, Y Q / Wang, Yaqian / Wang, Yi / Wang, Z / Wang, Z L / Wang, Z Y / Wang, Ziyi / Wei, D / Wei, D H / Weidner, F / Wen, S P / Wenzel, C W / Wiedner, U / Wilkinson, G / Wolke, M / Wollenberg, L / Wu, C / Wu, J F / Wu, L H / Wu, L J / Wu, X / Wu, X H / Wu, Y / Wu, Y H / Wu, Y J / Wu, Z / Xia, L / Xian, X M / Xiang, T / Xiao, D / Xiao, G Y / Xiao, S Y / Xiao, Y L / Xiao, Z J / Xie, C / Xie, X H / Xie, Y / Xie, Y G / Xie, Y H / Xie, Z P / Xing, T Y / Xu, C F / Xu, C J / Xu, G F / Xu, H Y / Xu, Q J / Xu, Q N / Xu, W / Xu, W L / Xu, X P / Xu, Y C / Xu, Z P / Xu, Z S / Yan, F / Yan, L / Yan, W B / Yan, W C / Yan, X Q / Yang, H J / Yang, H L / Yang, H X / Yang, Tao / Yang, Y / Yang, Y F / Yang, Y X / Yang, Yifan / Yang, Z W / Yao, Z P / Ye, M / Ye, M H / Yin, J H / You, Z Y / Yu, B X / Yu, C X / Yu, G / Yu, J S / Yu, T / Yu, X D / Yuan, C Z / Yuan, L / Yuan, S C / Yuan, Y / Yuan, Z Y / Yue, C X / Zafar, A A / Zeng, F R / Zeng, S H / Zeng, X / Zeng, Y / Zeng, Y J / Zhai, X Y / Zhai, Y C / Zhan, Y H / Zhang, A Q / Zhang, B L / Zhang, B X / Zhang, D H / Zhang, G Y / Zhang, H / Zhang, H C / Zhang, H H / Zhang, H Q / Zhang, H Y / Zhang, J / Zhang, J J / Zhang, J L / Zhang, J Q / Zhang, J W / Zhang, J X / Zhang, J Y / Zhang, J Z / Zhang, Jianyu / Zhang, L M / Zhang, L Q / Zhang, Lei / Zhang, P / Zhang, Q Y / Zhang, Shuihan / Zhang, Shulei / Zhang, X D / Zhang, X M / Zhang, X Y / Zhang, Y / Zhang, Y T / Zhang, Y H / Zhang, Yan / Zhang, Yao / Zhang, Z D / Zhang, Z H / Zhang, Z L / Zhang, Z Y / Zhao, G / Zhao, J Y / Zhao, J Z / Zhao, Lei / Zhao, Ling / Zhao, M G / Zhao, R P / Zhao, S J / Zhao, Y B / Zhao, Y X / Zhao, Z G / Zhemchugov, A / Zheng, B / Zheng, J P / Zheng, W J / Zheng, Y H / Zhong, B / Zhong, X / Zhou, H / Zhou, L P / Zhou, X / Zhou, X K / Zhou, X R / Zhou, X Y / Zhou, Y Z / Zhu, J / Zhu, K / Zhu, K J / Zhu, L / Zhu, L X / Zhu, S H / Zhu, S Q / Zhu, T J / Zhu, W J / Zhu, Y C / Zhu, Z A / Zou, J H / Zu, J

Physical review letters

2024 Volume 132, Issue 13, Page(s) 131901

Abstract: ... momentum transfers (12<Q^{2}<25 GeV^{2}) is determined to be 0.21±0.01, which indicates a small ...

Abstract	We present cross sections for the reaction e^{+}e^{-}→K_{S}^{0}K_{L}^{0} at center-of-mass energies ranging from 3.51 to 4.95 GeV using data samples collected in the BESIII experiment, corresponding to a total integrated luminosity of 26.5 fb^{-1}. The ratio of neutral-to-charged kaon form factors at large momentum transfers (12<Q^{2}<25 GeV^{2}) is determined to be 0.21±0.01, which indicates a small but significant effect of flavor-SU(3) breaking in the kaon wave function, and, consequently, excludes the possibility that flavor-SU(3) breaking is the primary reason for the strong experimental violation of the pQCD prediction \|F(π^{±})\|/\|F(K^{±})\|=f_{π}^{2}/f_{K}^{2}, where F(π^{±}) and F(K^{±}) are the form factors, and f_{π} and f_{K} are the decay constants of charged pions and kaons, respectively. We also observe a significant signal for the charmless decay ψ(3770)→K_{S}^{0}K_{L}^{0} for the first time. Within a 1σ contour of the likelihood value, the branching fraction for ψ(3770)→K_{S}^{0}K_{L}^{0} is determined to be B=(2.63_{-1.59}^{+1.40})×10^{-5}, and the relative phase between the continuum and ψ(3770) amplitudes is ϕ=(-0.39_{-0.10}^{+0.05})π. The branching fraction is in good agreement with the S- and D-wave charmonia mixing scheme proposed in the interpretation of the "ρπ puzzle" between J/ψ and ψ(3686) decays.
Language	English
Publishing date	2024-04-13
Publishing country	United States
Document type	Journal Article
ZDB-ID	208853-8
ISSN	1079-7114 ; 0031-9007
ISSN (online)	1079-7114
ISSN	0031-9007
DOI	10.1103/PhysRevLett.132.131901
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Article ; Online: Topologically Enabled Ultrahigh-Q Chiroptical Resonances by Merging Bound States in the Continuum.

Wan, Shun / Wang, Keda / Wang, Fatian / Guan, Chunying / Li, Wenjia / Liu, Jianlong / Bogdanov, Andrey / Belov, Pavel A / Shi, Jinhui

Optics letters

2022 Volume 47, Issue 13, Page(s) 3291–3294

Abstract: Ultrahigh-Q chiroptical resonance metasurfaces based on merging bound states in the continuum (BICs ...

Abstract	Ultrahigh-Q chiroptical resonance metasurfaces based on merging bound states in the continuum (BICs) are investigated and numerically demonstrated. The destruction of C
Language	English
Publishing date	2022-07-01
Publishing country	United States
Document type	Journal Article
ISSN	1539-4794
ISSN (online)	1539-4794
DOI	10.1364/OL.462021
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Article ; Online: Metabolic profiling and pharmacokinetic studies of sinapine thiocyanate by UHPLC-Q/TOF-MS and UHPLC-MS/MS.

Guan, Huida / Lin, Qiyan / Ma, Chao / Ju, Zhengcai / Wang, Changhong

Journal of pharmaceutical and biomedical analysis

2021 Volume 207, Page(s) 114431

Abstract: ... mass spectrometry (UHPLC-Q/TOF-MS). Thirteen metabolites were structurally identified, and the proposed ...

Abstract	Sinapine thiocyanate (ST) is an index component and pharmacological active component of Semen Sinapis and Semen Raphani, and it is widely used to relieving cough and asthma. This study aimed to obtain the metabolic and pharmacokinetic characterization of ST. The metabolic profiles of ST were obtained from rat plasma, urine, and feces via ultra-performance liquid chromatography-quadrupole-time-of-flight mass spectrometry (UHPLC-Q/TOF-MS). Thirteen metabolites were structurally identified, and the proposed metabolic pathways of ST included deamination, demethylation, hydrogenation, dehydration, and extensive conjugation, including glucuronidation and sulfonation. ST was selected as the plasma marker for the pharmacokinetic study. A simple and sensitive ultra-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) method was developed for the quantitation of ST in rat plasma. The linear range of ST was 0.1-500 ng/mL (R
MeSH term(s)	Administration, Oral ; Animals ; Choline/analogs & derivatives ; Chromatography, High Pressure Liquid ; Male ; Rats ; Rats, Sprague-Dawley ; Tandem Mass Spectrometry ; Thiocyanates
Chemical Substances	Thiocyanates ; sinapine (09211A0HHL) ; Choline (N91BDP6H0X)
Language	English
Publishing date	2021-10-13
Publishing country	England
Document type	Journal Article
ZDB-ID	604917-5
ISSN	1873-264X ; 0731-7085
ISSN (online)	1873-264X
ISSN	0731-7085
DOI	10.1016/j.jpba.2021.114431
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Article ; Online: Ultra-high Q lithium niobate microring monolithically fabricated by photolithography assisted chemo-mechanical etching.

Li, Chuntao / Guan, Jianglin / Lin, Jintian / Gao, Renhong / Wang, Min / Qiao, Lingling / Deng, Li / Cheng, Ya

Optics express

2023 Volume 31, Issue 19, Page(s) 31556–31562

Abstract: ... microrings reach an intrinsic quality (Q) factor higher than 10 ...

Abstract	As one of the element photonic structures, the state-of-the-art thin-film lithium niobate (TFLN) microrings reach an intrinsic quality (Q) factor higher than 10
Language	English
Publishing date	2023-09-14
Publishing country	United States
Document type	Journal Article
ZDB-ID	1491859-6
ISSN	1094-4087 ; 1094-4087
ISSN (online)	1094-4087
ISSN	1094-4087
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Article: [Chemical composition and antioxidant activity of different parts of Prunella vulgaris by UPLC-Q-TOF-MS/MS and UPLC].

Wu, Shao-Ru / Feng, Wei-Hong / Chen, Kai-Ming / Guan, Liang-Jun / Chen, Liang-Mian / Wang, Zhi-Min / Gao, Hui-Min / Song, Zong-Hua

Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica

2023 Volume 48, Issue 17, Page(s) 4569–4588

Abstract: ... liquid chromatography-tandem quadrupoles time of flight mass spectrometry(UPLC-Q-TOF-MS/MS) to detect chemical ...

Abstract	Prunellae Spica is the dried spica of Prunella vulgaris belonging to Labiatae and it is widely used in pharmaceutical and general health fields. As a traditional Chinese medicine cultivated on a large scale, it produces a large amount of non-medicinal parts, which are discarded because they are not effectively used. To analyze the chemical constituents in the different samples from spica, seed, stem, and leaf of P. vulgaris, and explore the application value and development prospect of these parts, this study used ultrahigh performance liquid chromatography-tandem quadrupoles time of flight mass spectrometry(UPLC-Q-TOF-MS/MS) to detect chemical constituents in different parts of P. vulgaris. As a result, 117 compounds were detected. Among them, 87 compounds were identified, including 32 phenolic acids, 8 flavonoids, and 45 triterpenoid saponins. Some new triterpenoid saponins containing the sugar chain with 4-6 sugar units were found. Further, multivariate statistical analysis was conducted on BPI chromatographic peaks of multiple batches of different parts, and the results showed that spica had the most abundant chemical constituents, including salviaflaside and linolenic acid highly contained in the seed and phenolic acids, flavonoids, and triterpenoid saponins in the stem and leaf. In general, the constituents in the spica were composed of those in the seed, stem, and leaf. UPLC was used to determine the content of 6 phenolic acids(danshensu, protocatechuic acid, protocatechuic aldehyde, caffeic acid, salviaflaside, and rosmarinic acid) in different parts. The content of other phenolic acids in the seed was generally lower than that in the spica except that of salviaflaside. The content of salviaflaside in the spica was higher than that in the stem and leaf, but the content of other phenolic acids in the spica was not significantly different from that in the stem. The content of protocatechuic aldehyde and caffeic acid in the spica was lower than that in the leaf. DPPH free radical scavenging method was used to detect the antioxidant activity of four parts, and there was no significant difference in the antioxidant activity between the spica and the stem and leaf, but that was significantly higher than the seed. Moreover, the antioxidant activity of these parts was correlated with the content of total phenolic acids. Based on the above findings, the stem and leaf of P. vulgaris have potential application value. Considering the traditional medication rule, it is feasible to use the whole plant as a medicine. Alternatively, salviaflaside, occurring in the seed, can be used as a marker compound for the quality evaluation of Prunellae Spica, if only using spica as the medicinal part of P. vulgaris, as described in the Chinese Pharmacopoeia(2020 edition).
MeSH term(s)	Antioxidants/chemistry ; Tandem Mass Spectrometry/methods ; Prunella/chemistry ; Chromatography, High Pressure Liquid/methods ; Caffeic Acids ; Flavonoids/analysis ; Triterpenes/analysis ; Saponins ; Sugars
Chemical Substances	Antioxidants ; protocatechualdehyde (4PVP2HCH4T) ; salviaflaside (178895-25-5) ; phenolic acid (I3P9R8317T) ; Caffeic Acids ; Flavonoids ; Triterpenes ; Saponins ; Sugars
Language	Chinese
Publishing date	2023-10-06
Publishing country	China
Document type	English Abstract ; Journal Article
ZDB-ID	1004649-5
ISSN	1001-5302 ; 0254-0029
ISSN	1001-5302 ; 0254-0029
DOI	10.19540/j.cnki.cjcmm.20221227.202
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Article ; Online: Protective effect and mechanism of styrax on ischemic stroke rats: metabonomic insights by UPLC-Q/TOF-MS analysis.

Mu, Fei / Lin, Rui / Lu, Xueyan / Zhao, Meina / Zhao, Jiaxin / Huang, Shaojie / Guo, Chao / Guan, Yue / Zhang, Haiyue / Xi, Miaomiao / Wang, Jingwen / Tang, Haifeng

Pharmaceutical biology

2023 Volume 61, Issue 1, Page(s) 1318–1331

Abstract: Context: Styrax is used for prevention and treatment of cerebrovascular diseases. However, the underlying mechanism remains unclear.: Objective: To elucidate styrax's anti-ischemic stroke protective effects and underlying mechanisms.: Materials and ...

Abstract	Context: Styrax is used for prevention and treatment of cerebrovascular diseases. However, the underlying mechanism remains unclear. Objective: To elucidate styrax's anti-ischemic stroke protective effects and underlying mechanisms. Materials and methods: An ischemic-stroke rat model was established based on middle cerebral artery occlusion (MCAO). Sprague-Dawley rats were randomly assigned to the following groups ( Results: The addition of 0.4 g/kg styrax significantly reduced cerebral infarct volume and neurobehavioral abnormality score. Different doses of styrax also decrease MDA, TNF-α, IL-6, and IL-1β, and increase SOD and GSH-Px in ischemic-stroke rats ( Conclusion: Styrax treatment could ameliorate ischemic-stroke rats by intervening with energy metabolism and glutamine metabolism. This can help us understand the mechanism of styrax, inspiring more clinical application and promotion.
MeSH term(s)	Rats ; Animals ; Rats, Sprague-Dawley ; Styrax ; Glutamine ; Metabolomics ; Ischemic Stroke ; Glutathione
Chemical Substances	Glutamine (0RH81L854J) ; Glutathione (GAN16C9B8O)
Language	English
Publishing date	2023-08-24
Publishing country	England
Document type	Journal Article
ZDB-ID	1440131-9
ISSN	1744-5116 ; 1388-0209
ISSN (online)	1744-5116
ISSN	1388-0209
DOI	10.1080/13880209.2023.2246501
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Article ; Online: The in vitro/in vivo metabolic pathways analysis of lobetyol, lobetyolin, and lobetyolinin, three polyacetylenes from Codonopsis Radix, by UHPLC-Q/TOF-MS and UHPLC-MS/MS.

Xie, Qi / Wang, Hanxue / Guan, Huida / Xu, Nan / Zhao, Xiang / Cheng, Xuemei / Wang, Changhong

Journal of pharmaceutical and biomedical analysis

2022 Volume 223, Page(s) 115140

Abstract: Polyacetylenes, lobetyol, lobetyolin and lobetyolinin, are responsible for antitumor, antioxidant, anti-inflammatory, immunomodulatory activities of Codonopsis Radix. However, their metabolic pathways are still unknown. The study was purposed to ... ...

Abstract	Polyacetylenes, lobetyol, lobetyolin and lobetyolinin, are responsible for antitumor, antioxidant, anti-inflammatory, immunomodulatory activities of Codonopsis Radix. However, their metabolic pathways are still unknown. The study was purposed to investigate the metabolism of three polyacetylenes in vitro and in vivo by ultra-performance liquid chromatography-quadrupole-time-of-ﬂight mass spectrometry. Moreover, a rapid, sensitive and selective ultra-performance liquid chromatography-tandem mass spectrometry method was developed for the simultaneous quantitative and semi-quantitative determination of lobetyol and its 12 metabolites to investigate the metabolic stability and metabolic phenotypes. A total of 47, 30 and 34 metabolites of lobetyol, lobetyolin and lobetyolinin were found in all samples. These metabolites are produced through extensive pathways, mainly involving oxidation, glucuronidation and glutathione conjugation. Lobetyol showed good metabolic stability in liver microsomes. The results of both recombinant human CYP enzymes and chemical inhibition experiments confirmed that CYP2C19, 1A1, 2C9, and 1A2 are the major isozymes mediating lobetyol metabolism.
MeSH term(s)	Humans ; Codonopsis/chemistry ; Tandem Mass Spectrometry/methods ; Chromatography, High Pressure Liquid/methods ; Polyacetylene Polymer ; Metabolic Networks and Pathways
Chemical Substances	lobetyolin ; Polyacetylene Polymer
Language	English
Publishing date	2022-11-04
Publishing country	England
Document type	Journal Article
ZDB-ID	604917-5
ISSN	1873-264X ; 0731-7085
ISSN (online)	1873-264X
ISSN	0731-7085
DOI	10.1016/j.jpba.2022.115140
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