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基于UPLC-Q-TOF-MS/MS结合特征分子网络技术的畲药树参成分分析及其抗炎活性评价

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中草药 | 化学成分 2026,57(6): 2029-2043

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中草药 |化学成分 2026 , 57 (6) : 2029 -2043

基于UPLC-Q-TOF-MS/MS结合特征分子网络技术的畲药树参成分分析及其抗炎活性评价

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张乐怡¹, 范欣荣^1,2, 王慧玉¹, 薛畅², 杨慧珍³, 秦宇雯⁴, 袁宙新¹, 朱寅荻⁴, 姜程曦²

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张乐怡: 张乐怡(1995-),女,主管中药师,研究方向为中药学和民族药学(畲药)。E-mail:lsleyiZhang@163.com 范欣荣: 范欣荣(1996-),男,中药师,研究方向为中药学和民族药学(畲药)。E-mail:lsyhfxr@163.com

Component analysis and anti-inflammatory activity evaluation of Dendropanax dentiger from a She ethnic medicine based on UPLC-Q-TOF-MS/MS combined with characteristic molecular network technology

ZHANG Leyi, FAN Xinrong, WANG Huiyu, XUE Chang, YANG Huizhen, QIN Yuwen, YUAN Zhouxin, ZHU Yindi, JIANG Chengxi

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doi: 10.7501/j.issn.0253-2670.2026.06.004

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目的采用超高效液相色谱-四级杆-飞行时间质谱（ultra performance liquid chromatography quadrupole time-of-flight mass spectrometry，UPLC-Q-TOF-MS/MS）结合特征分子网络（feature-based molecular networking，FBMN）技术，对畲药树参Dendropanax dentiger醇提物化学成分进行快速鉴定，并对其抗炎活性进行初步评价。方法 ACQUITY UPLC HSS T3色谱柱（100 mm×2.1 mm，1.8 μm）；以0.1%甲酸水（A）-乙腈（B）为流动相梯度洗脱，在正、负离子模式下采集质谱数据，并在全球天然产物社会分子网络（global natural products social molecular networking，GNPS）网站（http://gnps.ucsd.edu）上构建FBMN。基于SIRIUS 6.2.2软件及GNPS数据库匹配结果，结合对照品比对、保留时间、特征碎片、文献及PubChem、MassBank数据库信息，并结合FBMN的结构聚类特性，快速鉴定树参醇提物的化学成分并总结其裂解规律；采用脂多糖（lipopolysaccharide，LPS）诱导的RAW264.7巨噬细胞炎症模型，结合CCK-8、Western blotting及免疫荧光实验，评价其抗炎效果。结果共鉴定出树参中59种化学成分，包括酚酸类18个、木脂素类11个、黄酮及其苷类8个、香豆素6个、环肽4个、苯乙醇苷3个、脂肪酸及其衍生物4个、环烯醚萜2个、糖苷2个及生物碱1个。其中，19个潜在未报道化合物首次从树参中分析得到。基于FBMN，成功识别异绿原酸A、B、C等同分异构体，并进一步推测出其甲基化衍生物。细胞实验结果表明，树参醇提物可显著抑制LPS诱导的炎症反应，降低白细胞介素-1β（interleukin-1β，IL-1β）和肿瘤坏死因子-α（tumor necrosis factor-α，TNF-α）的表达，促进白细胞介素-10（interleukin-10，IL-10）分泌，并抑制核因子-κB亚基p65（nuclear factor-kappa-B p65，NF-κB p65）的核转位。结论 FBMN弥补了传统分子网络在鉴定同分异构体方面的不足，UPLC-Q-TOF-MS/MS联合FBMN技术可实现树参复杂成分的快速、高效鉴定，并首次发现19个潜在未报道化合物。树参提取物具有良好抗炎活性，为其后续药效物质研究和开发应用提供实验依据。

关键词

树参 / 超高效液相色谱-四级杆-飞行时间质谱 / 特征分子网络 / 异绿原酸A / 异绿原酸B / 异绿原酸C / 抗炎活性

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Objective To rapidly identify the chemical constituents of the ethanol extract of Dendropanax dentiger, a She ethnic medicine, using ultra performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) and feature-based molecular networking(FBMN), and preliminarily evaluate its anti-inflammatory activity. Methods Chromatographic separation was performed on an ACQUITY UPLC HSS T3 column (100 mm × 2.1 mm, 1.8 μm) using a gradient elution with 0.1% formic acid in water (A) and acetonitrile (B) as the mobile phases. MS data were acquired in both positive and negative ion modes, and FBMN was constructed on the global natural products social molecular networking (GNPS) platform (http://gnps.ucsd.edu). Based on the matching results of the SIRIUS 6.2.2 software and the GNPS database, combined with the reference standards, retention time, feature fragments, literature, and information from the PubChem and MassBank databases, and in combination with the structural clustering characteristics of FBMN, the chemical composition of the alcohol extract of D. dentiger was rapidly identified and its lysis rules were summarized. In vitro anti-inflammatory effects were evaluated using a lipopolysaccharide (LPS)-induced RAW264.7 macrophage inflammation model, with CCK-8, Western blotting, and immunofluorescence analyses. Results A total of 59 compounds were identified, including 18 phenolic acids, 11 lignans, eight flavonoids and flavonoid glycosides, six coumarins, four cyclic peptides, three phenylethanoid glycosides, four fatty acids and derivatives, two iridoids, two glycosides, and one alkaloid. Among them, 19 potentially unreported compounds were identified from D. dentiger for the first time. Three positional isomers—isochlorogenic acid A, B, and C were successfully identified via FBMN, and a methylated derivative was further proposed. The results of cell experiments demonstrated that the ethanol extract of D. dentiger significantly suppressed LPS-induced inflammatory responses in RAW264.7 cells by downregulating interleukin-1 beta (IL-1β) and tumor necrosis factor-alpha (TNF-α) expression, upregulating IL-10 secretion, and inhibiting nuclear translocation of nuclear factor-kappa-B p65(NF-κB p65) . Conclusion FBMN effectively overcomes the limitations of traditional molecular networking in isomer identification. The integration of UPLC-Q-TOF-MS/MS with FBMN enables rapid and efficient identification of the complex components in D. dentiger, leading to the first identification of 19 potentially unreported compounds. The ethanol extract of D. dentiger exhibits promising anti-inflammatory activity, providing an experimental basis for further research and development application of its active substances.

Key words

Dendropanax dentiger (Harms) Merr. / UPLC-Q-TOF-MS/MS / feature-based molecular networking / isochlorogenic acid A / isochlorogenic acid B / isochlorogenic acid C / anti-inflammatory activity

引用本文

张乐怡, 范欣荣, 王慧玉, 薛畅, 杨慧珍, 秦宇雯, 袁宙新, 朱寅荻, 姜程曦. 基于UPLC-Q-TOF-MS/MS结合特征分子网络技术的畲药树参成分分析及其抗炎活性评价. 中草药, 2026 , 57 (6) : 2029 -2043 . DOI: 10.7501/j.issn.0253-2670.2026.06.004

ZHANG Leyi, FAN Xinrong, WANG Huiyu, XUE Chang, YANG Huizhen, QIN Yuwen, YUAN Zhouxin, ZHU Yindi, JIANG Chengxi. Component analysis and anti-inflammatory activity evaluation of Dendropanax dentiger from a She ethnic medicine based on UPLC-Q-TOF-MS/MS combined with characteristic molecular network technology[J]. Chinese Traditional and Herbal Drugs, 2026 , 57 (6) : 2029 -2043 . DOI: 10.7501/j.issn.0253-2670.2026.06.004

基金

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浙江省中医药科技计划项目 (2024ZR205); 浙江省中医药管理局共建科技计划项目 (GZY-ZJ-KJ-23098); 丽水市公益性技术应用研究项目 (2024GYX36); 丽水市自筹类公益性技术应用研究项目 (2022SJZC037)

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参考文献引证文献

排序方式：

范欣荣, 张乐怡, 罗莎, 等. 基于指纹图谱-网络药理学-多指标定量分析预测树参中的差异活性成分[J]. 中草药, 2025, 56(6): 2122-2134.
刘敏, 张晓芹, 黄绳武, 等. 畲药树参茎化学成分分析及抗炎活性部位高效液相指纹图谱的建立[J]. 中国现代应用药学, 2022, 39(19): 2505-2510.
王秀梅, 杨丽, 何军伟, 等. 树参属化学成分与生物活性研究进展[J]. 中国实验方剂学杂志, 2015, 21(24): 229-234.
陈张金, 余乐, 刘敏, 等. 基于抗炎有效成分畲药树参茎质量标准的研究[J]. 中医药导报, 2023, 29(6): 70-75.
Yang L, Liu R H, Fan A G, et al. Dendropanax dentiger (Harms) Merr. root and its major constituents exert therapeutic effect on adjuvant-induced arthritis in rats[J]. J Ethnopharmacol, 2021, 267: 113631.
杨丽. 树参抗类风湿性关节炎的物质基础及作用机制研究[D]. 南昌: 江西中医药大学, 2021.
周健, 黎玉华, 周颖, 等. 变叶树参化学成分的分离与鉴定[J]. 中国实验方剂学杂志, 2019, 25(23): 128-132.
Zhang K, Jia J R, Li T, et al. Triple three-dimensional MS/MS spectrum facilitates quantitative ginsenosides-targeted sub-metabolome characterization in notoginseng[J]. Acta Pharm Sin B, 2024, 14(9): 4045-4058.
Wang H D, Zhang L, Li X H, et al. Machine learning prediction for constructing a universal multidimensional information library of Panax saponins (ginsenosides)[J]. Food Chem, 2024, 439: 138106.
Xu X, Li W, Li T, et al. Direct infusion-three-dimensional-mass spectrometry enables rapid chemome comparison among herbal medicines[J]. Anal Chem, 2020, 92(11): 7646-7656.
冯小龙, 蔡媛, 李鹏辉, 等. 基于UPLC-Q-TOF-MS/MS和分子网络技术快速分析玉叶解毒颗粒醇提物的化学成分[J]. 中药新药与临床药理, 2024, 35(10): 1581-1592.
Wang M X, Carver J J, Phelan V V, et al. Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking[J]. Nat Biotechnol, 2016, 34(8): 828-837.
Schmid R, Petras D, Nothias L F, et al. Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment[J]. Nat Commun, 2021, 12(1): 3832.
Han M R, Xia H, Xia G Y, et al. Feature-based molecular networking (FBMN): An efficient booster for discovering novel natural products or metabolites[J]. Acta Pharm Sin B, 2025, 15(4): 2283-2286.
胡振宇, 卜俊文, 吴宇, 等. 基于UPLC-LTQ-Orbitrap MS技术分析醋润蜜麸炒柴胡炮制过程中成分差异[J]. 中草药, 2025, 56(9): 3109-3120.
兰晓燕, 朱龙波, 黄显章, 等. 艾叶中主要化学成分的鉴定及其含量测定研究[J]. 中草药, 2021, 52(24): 7630-7637.
吴娟娟, 王子璇, 连运河, 等. 基于UPLC-QTOF MS/MS技术研究甜叶菊绿原酸类成分的降解机制[J]. 质谱学报, 2025, 46(1): 65-77.
Tsugawa H, Nakabayashi R, Mori T, et al. A cheminformatics approach to characterize metabolomes in stable-isotope-labeled organisms[J]. Nat Methods, 2019, 16(4): 295-298.
Zhuo Y, Fu X M, Jiang Q Y, et al. Systems pharmacology-based mechanism exploration of Acanthopanax senticosusin for Alzheimer’s disease using UPLC-Q-TOF-MS, network analysis, and experimental validation[J]. Eur J Pharmacol, 2023, 954: 175895.
Hu J P, Wu D, Sun Y P, et al. Comprehensive analysis of Eleutherococcus senticosus (Rupr. & Maxim.) Maxim. leaves based on UPLC-MS/MS: Separation and rapid qualitative and quantitative analysis[J]. Front Pharmacol, 2022, 13: 865586.
牟越, 刘博, 张璇, 等. 基于UPLC-Q-TOF-MS的连翘不同部位成分分析及其抗炎活性评价[J]. 中国中药杂志, 2024, 49(4): 968-980.
范惠霞, 邓志鹏, 仲浩, 等. LC-MS/MS法同时测定刺五加制剂中紫丁香苷、刺五加苷E和异嗪皮啶的含量[J]. 食品与药品, 2014, 16(2): 95-99.
余文怡, 伍慧敏, 郭秀洁, 等. 基于超高效液相色谱-四极杆-静电场轨道阱高分辨质谱的刺五加注射液化学成分分析[J]. 色谱, 2023, 41(3): 207-223.
陈宏昌, 魏文峰, 霍金海, 等. UPLC-Q-TOF-MS/MS分析刺五加叶的化学成分[J]. 中药材, 2016, 39(7): 1536-1540.
李莉莉, 马宁宁, 范姗姗, 等. 杜仲不同提取物对帕金森病小鼠的治疗作用及谱效关系研究[J]. 中草药, 2019, 50(6): 1400-1406.
严颖, 赵慧, 邹立思, 等. 杜仲化学成分的LC-Triple TOF MS/MS分析[J]. 质谱学报, 2017(1): 146-156.
李自红, 魏悦, 范毅, 等. 芦丁的电喷雾离子阱质谱分析[J]. 分析试验室, 2015, 34(2): 186-189.
Han Y, Zhang A H, Sun H, et al. High-throughput ultra high performance liquid chromatography combined with mass spectrometry approach for the rapid analysis and characterization of multiple constituents of the fruit of Acanthopanax senticosus (Rupr. et Maxim.) Harms[J]. J Sep Sci, 2017, 40(10): 2178-2187.
Morreel K, Dima O, Kim H, et al. Mass spectrometry-based sequencing of lignin oligomers[J]. Plant Physiol, 2010, 153(4): 1464-1478.
Saleem M, Kim H J, Ali M S, et al. An update on bioactive plant lignans[J]. Nat Prod Rep, 2005, 22(6): 696-716.
徐翔, 姜奇瑶, 陈云波, 等. UPLC-Q-TOF-MS/MS法分析刺五加提取物化学成分及入血成分[J/OL]. 中华中医药学刊, (2025-07-11)[2026-03-03]. https://link.cnki.net/urlid/21.1546.r.20250711.1121.029.
景秀村, 李军茂, 冯育林, 等. 基于UHPLC-Q-TOF-MS/MS分析猪牙皂中化学成分[J]. 中国现代应用药学, 2023, 40(23): 3225-3235.
汪嘉俊, 王泽萍, 王雪莲, 等. 山茱萸化学成分和药理作用的研究进展[J]. 中草药, 2025, 56(3): 1088-1103.
Alara O R, Abdurahman N H, Obanijesu E O, et al. Extract-rich in flavonoids from Hibiscus sabdariffa calyces: Optimizing microwave-assisted extraction method and characterization through LC-Q-TOF-MS analysis[J]. J Food Process Eng, 2020, 43(2): e13339.
Du L Y, Qian D W, Shang E X, et al. UPLC-Q-TOF/MS-based screening and identification of the main flavonoids and their metabolites in rat bile, urine and feces after oral administration of Scutellaria baicalensis extract[J]. J Ethnopharmacol, 2015, 169: 156-162.
耿昭, 高必兴, 钟恋, 等. 基于UHPLC-LTQ-orbitrap-MS方法分析藏药洪连(短管兔耳草)中黄酮与苯乙醇苷类成分[J]. 药学学报, 2022, 57(9): 2821-2838.
李存满, 骆亚薇, 田宝勇. 环烯醚萜类化合物的质谱裂解规律研究进展[J]. 河北师范大学学报: 自然科学版, 2015, 39(6): 522-526.

2026年第57卷第6期

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doi: 10.7501/j.issn.0253-2670.2026.06.004

接收时间：2025-10-26
首发时间：2026-09-09

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2种不同金属材料的力学参数

科 Family	属数 Number of genus	种数 Number of species	占总种数比例 Percentage of total species (%)	属 Genus	种数 Number of species	占总种数比例 Percentage of total species (%)
鹅膏菌科Amanitaceae	2	11	5.26	鹅膏菌属 Amanita	10	4.78
小菇科 Mycenaceae	2	12	5.74	丝盖伞属 Inocybe	5	2.39
多孔菌科 Polyporaceae	8	14	6.70	蜡蘑属 Laccaria	5	2.39
红菇科 Russulaceae	3	23	11.00	小皮伞属 Marasmius	6	2.87
				小菇属 Mycena	11	5.26
				光柄菇属 Pluteus	5	2.39
				红菇属 Russula	17	8.13
				栓菌属 Trametes	5	2.39

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