Biomedical Chromatography最新文献_第2页

Determination by UHPLC-QTOF-HRMS of Phosphatidylethanol (PEth) in Dried Blood Spots: Method Validation and Practical Application of a Rising Alcohol Abuse Biomarker With Minimally Invasive Sampling UHPLC-QTOF-HRMS法测定干血斑中磷脂酰乙醇（PEth）：方法验证及微创进样新酒精滥用生物标志物的实际应用

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-11 DOI: 10.1002/bmc.70081

Christina Ververi, Marta Massano, Eugenio Alladio, Alberto Salomone, Marco Vincenti

{"title":"Determination by UHPLC-QTOF-HRMS of Phosphatidylethanol (PEth) in Dried Blood Spots: Method Validation and Practical Application of a Rising Alcohol Abuse Biomarker With Minimally Invasive Sampling","authors":"Christina Ververi, Marta Massano, Eugenio Alladio, Alberto Salomone, Marco Vincenti","doi":"10.1002/bmc.70081","DOIUrl":"https://doi.org/10.1002/bmc.70081","url":null,"abstract":"<p>The goal of our study was to develop and validate a simple, quick, and sensitive method to detect phosphatidylethanol (PEth) in dried blood spots (DBS). A 30-μL aliquot of blood was collected on a DBS card and allowed to dry at room temperature. Then, the spot was cut and transferred into a clean tube where the internal standard (PEth-D5) and 1-mL hexane were added followed by stirring, sonication, and centrifugation at room temperature. The dried supernatant was reconstituted with 30-μL acetonitrile and analyzed by UHPLC-HRMS-QTOF. Calibration curve was created at 20, 50, 100, 200, 300, and 500 ng/mL; the limit of detection was calculated at 5 ng/mL (S/N > 3) while accuracy, precision, recovery, and matrix effect were successfully evaluated, along with the analyte stability at different time intervals and temperatures. The study demonstrates that quantifying PEth 16:0/18:1 from DBS cards is feasible using UHPLC-QTOF or UHPLC-QqQ instrumentation while the QTOF method was validated and proved reliable for PEth detection to assess both excessive alcohol consumption and alcohol abstinence, matching current guidelines. Preliminary data on authentic samples confirmed the method's performance in terms of ease, sustainability, and speed, supporting its great potential for routine toxicological diagnosis of chronic alcohol abuse.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bmc.70081","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Metabolomic Profiling of Three Body Fluids Differentiates UWS and MCS in Disorders of Consciousness 三种体液的代谢组学分析可区分意识障碍中的UWS和MCS

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-11 DOI: 10.1002/bmc.70079

Aiwei Wang, Long Xu, Fei Xue, Hezhen Lu, Xiaoyan Liu, Haidan Sun, Zhengguang Guo, Qianqian Ge, Xiaoli Geng, Xueling Chen, Binbin Zhang, Jiameng Sun, Feng Qi, Xia Niu, Ying Lan, Jianghong He, Wei Sun

{"title":"Metabolomic Profiling of Three Body Fluids Differentiates UWS and MCS in Disorders of Consciousness","authors":"Aiwei Wang, Long Xu, Fei Xue, Hezhen Lu, Xiaoyan Liu, Haidan Sun, Zhengguang Guo, Qianqian Ge, Xiaoli Geng, Xueling Chen, Binbin Zhang, Jiameng Sun, Feng Qi, Xia Niu, Ying Lan, Jianghong He, Wei Sun","doi":"10.1002/bmc.70079","DOIUrl":"https://doi.org/10.1002/bmc.70079","url":null,"abstract":"<div>\u0000 \u0000 <p>Disorders of consciousness (DOC), including unresponsive wakefulness syndrome (UWS) and minimally conscious state (MCS), are complex brain dysfunctions with various causes. Misdiagnosis is common when relying solely on neurological exams, highlighting the need for accurate differentiation to guide clinical rehabilitation. This study explores metabolomic differences between UWS and MCS across cerebrospinal fluid (CSF), serum, and urine samples to identify biomarkers and metabolic pathways. Fifty-one subjects were categorized into UWS (<i>n</i> = 35) and MCS (<i>n</i> = 16) based on coma recovery scale-revised (CRS-R) scores. Ultraperformance liquid chromatography tandem mass spectrometry (UPLC–MS/MS) was used to analyze samples, and statistical methods identified 14, 24, and 22 differential metabolites in CSF, serum, and urine, respectively. CSF metabolites were linked to necrosis, apoptosis, and neuroprotection; serum metabolites to lipid metabolism and immune response; and urine metabolites to cell signaling and neural function. Metabolomic panels showed AUC values of 0.85 (95% CI: 0.73–0.96) for CSF (95% CI: 0.86–1.00), 0.94 for serum, and 0.93 (95% CI: 0.79–1.00) for urine in distinguishing UWS from MCS. This profiling offers valuable insights into DOC pathophysiology and aids in accurate differentiation of these states.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring the Material Basis of Taxillus chinensis in the Treatment of Hyperuricemia Nephropathy Through Absorbed Into Blood Component Analysis and Network Pharmacology 通过血液成分分析及网络药理学探讨红豆杉治疗高尿酸血症肾病的物质基础

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-11 DOI: 10.1002/bmc.70066

Jiemei Liang, Hua Zhu, Qiyuan Yang, Zhouwei Li, Xiang Meng, Lanlan Fan, Li Li

{"title":"Exploring the Material Basis of Taxillus chinensis in the Treatment of Hyperuricemia Nephropathy Through Absorbed Into Blood Component Analysis and Network Pharmacology","authors":"Jiemei Liang, Hua Zhu, Qiyuan Yang, Zhouwei Li, Xiang Meng, Lanlan Fan, Li Li","doi":"10.1002/bmc.70066","DOIUrl":"https://doi.org/10.1002/bmc.70066","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Taxillus chinensis</i> (DC) Danser (<i>T. chinensis</i>) is broadly used in traditional Chinese medicine. Although pharmacological research shows that the ethyl acetate extract of <i>T. chinensis</i> (JEA) has beneficial effects in treating hyperuricemic nephropathy (HN), the active components and potential mechanisms for these effects remain unclear. This study aims to predict the effective components and mechanism of JEA for HN. Firstly, we adopted UHPLC-Q-Exactive HFXMS technology to analyze the chemical profile of JEA and the absorbed prototype ingredients in rat plasma. In addition, network pharmacology methods were utilized by us to elaborate on the active compounds, signaling pathways, and potential mechanisms of JEA in treating HN. Finally, a UPLC method was established to screen potential chemicals that can effectively inhibit the activity of xanthine oxidase (XOD). A total of 92 components were systematically characterized in JEA. Of those, 46 compounds were identified in the plasma of rats administered with JEA extract. Through network pharmacology, 10 potential active components, 10 crucial target genes, and 20 pathways were predicted to be involved in the JEA-mediated treatment of HN. The molecular docking results indicated that oxyresveratrol, isorhammeiol, and robinetwere exhibited strong binding affinities for GAPDH, PPARG, and ALB. The analysis of the XOD inhibition experiment suggested that dihydromyricetin and oxyresveratrol exhibited potent inhibitory effects on XOD, with IC<sub>50</sub> values of 0.48 and 0.68 mg·mL<sup>−1</sup>. This study preliminarily identified the potential effective components of JEA and revealed its underlying molecular mechanisms of action in preventing HN, which will improve our further studies on JEA to treat HN.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Jiedu Tongluo Tiaogan Formula Modulates Glycolipid Metabolism in Type 2 Diabetes via Pyroptosis: Network Pharmacology and In Vivo Analysis 解毒通络调肝方通过焦亡调节2型糖尿病的糖脂代谢：网络药理学和体内分析

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-11 DOI: 10.1002/bmc.70077

Su Jing, Cui Zhenhai, Han Xiao, Li Chunhan, Wang Wanlin, Song Xuting, Yu Han, Zhuang Xiaoyu, Jin Meiying

{"title":"Jiedu Tongluo Tiaogan Formula Modulates Glycolipid Metabolism in Type 2 Diabetes via Pyroptosis: Network Pharmacology and In Vivo Analysis","authors":"Su Jing, Cui Zhenhai, Han Xiao, Li Chunhan, Wang Wanlin, Song Xuting, Yu Han, Zhuang Xiaoyu, Jin Meiying","doi":"10.1002/bmc.70077","DOIUrl":"https://doi.org/10.1002/bmc.70077","url":null,"abstract":"<div>\u0000 \u0000 <p>Type 2 diabetes mellitus (T2DM) is characterized by pancreatic β-cell dysfunction and insulin resistance, with pyroptosis emerging as a key contributor to β-cell loss. Jiedu Tongluo Tiaogan Formula (JTTF), a traditional Chinese medicine (TCM), has shown clinical efficacy in T2DM management, but its mechanism linking pyroptosis remains unexplored. This study integrates UPLC-MS/MS, network pharmacology, and in vivo experiments to elucidate JTTF's anti-diabetic mechanisms. UPLC-MS/MS identified 441 compounds in JTTF, predominantly alkaloids, flavonoids, phenols, and terpenoids. Network pharmacology revealed JTTF's multi-target effects on T2DM-associated pyroptosis, particularly via the NLRP3/Caspase-1/GSDMD pathway. In diabetic mice, JTTF dose-dependently reduced fasting blood glucose, insulin resistance, and dyslipidemia, while restoring pancreatic β-cell morphology. Mechanistically, JTTF suppressed NLRP3 inflammasome activation, downregulated Caspase-1 and GSDMD expression, and attenuated IL-1β/IL-18 release. Notably, this study provides the first evidence of JTTF's anti-pyroptotic effects in T2DM, highlighting its unique ability to modulate glycolipid metabolism and inflammatory cell death concurrently. These findings underscore JTTF's translational promise for preserving β-cell function and suggest future exploration of non-classical pyroptosis pathways. Our work bridges traditional medicine and molecular pharmacology, paving the way for clinical trials and integrative T2DM therapies.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143822312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Widely Targeted Metabolomics Reveals the Bioactive Metabolites and Antioxidant Activities of Chinese Yam (Dioscorea opposita Thunb.) Peel 广泛靶向代谢组学揭示山药的生物活性代谢物和抗氧化活性皮

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-10 DOI: 10.1002/bmc.70085

Lanping Yang, Wendi Wang, Zhenzhen Liu, Yangyang Zhai, Zhenhui Wang, Ying Li, Zhenzhen Zhang, Baohua Hou, Baobao Zhang, Jingchun Zhou

{"title":"Widely Targeted Metabolomics Reveals the Bioactive Metabolites and Antioxidant Activities of Chinese Yam (Dioscorea opposita Thunb.) Peel","authors":"Lanping Yang, Wendi Wang, Zhenzhen Liu, Yangyang Zhai, Zhenhui Wang, Ying Li, Zhenzhen Zhang, Baohua Hou, Baobao Zhang, Jingchun Zhou","doi":"10.1002/bmc.70085","DOIUrl":"https://doi.org/10.1002/bmc.70085","url":null,"abstract":"<div>\u0000 \u0000 <p>Chinese yam (<i>Dioscorea opposita</i> Thunb. cv. Tiegun) has been utilized in traditional medicine and as a food source for centuries. However, the metabolite profiles and antioxidant activities of yam by-product peel have not been studied sufficiently. Thus, to effectively identify the active metabolites in yam peel, we employed a UHPLC–MS/MS-based widely targeted metabolomics on Chinese yam peel from loessial soil (LPCY) and sandy soil (SPCY). A total of 1054 metabolites were identified, comprising 379 primary metabolites, 528 secondary metabolites, and 147 other compounds. Notably, multivariate analyses revealed the presence of 143 differentially accumulated metabolites (DAMs) between SPCY and LPCY. Linoleic acid metabolism, phenylpropanoid biosynthesis, plant hormone signal transduction, pyruvate metabolism, and sphingolipid metabolism were the main differentially regulated pathways. The DPPH, ABTS, and FRAP assays demonstrated that the antioxidant activities of LPCY were significantly higher than those of SPCY. Correlation analysis revealed that most DAMs, including phenolic acids, lipids, organic acids, and amino acids, exhibited significant positive correlations with antioxidant activities (<i>r</i> ≥ 0.7, <i>p</i> < 0.05). These results indicate that loessial soil promotes the accumulation of antioxidant-active compounds. Overall, this study suggests that yam peels hold significant potential as a rich natural source of bioactive substances.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Determination of Tigecycline in Plasma and Bronchoalveolar Lavage Fluid by UPLC–MS/MS and Its Application to a Pharmacokinetic Study in Critically Ill Patients UPLC-MS /MS法测定血浆和支气管肺泡灌洗液中替加环素的含量及其在危重患者药动学研究中的应用

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-10 DOI: 10.1002/bmc.70055

Nan Guo, Sheng Hu, Yahui Zhang, Wen Zhang, Dejun Li, Yue Tang, Zijian Tai, Xin Guo, Bing Leng

{"title":"Determination of Tigecycline in Plasma and Bronchoalveolar Lavage Fluid by UPLC–MS/MS and Its Application to a Pharmacokinetic Study in Critically Ill Patients","authors":"Nan Guo, Sheng Hu, Yahui Zhang, Wen Zhang, Dejun Li, Yue Tang, Zijian Tai, Xin Guo, Bing Leng","doi":"10.1002/bmc.70055","DOIUrl":"https://doi.org/10.1002/bmc.70055","url":null,"abstract":"<div>\u0000 \u0000 <p>Tigecycline has been widely used for treating infections caused by multidrug resistant bacteria, but the dosage and intrapulmonary distribution were still controversial. In this study, a UPLC–MS/MS method was established and fully validated to quantify tigecycline in human plasma and BALF. A simple and rapid protein precipitation was used to extract the analytes from plasma and BALF samples. Then, tigecycline and IS were separated on a SHIMADZU AQ-C18 column and detected using electrospray ionization positive ion mode using the transitions of <i>m</i>/<i>z</i> 586.3 → 513.2 <i>m</i>/<i>z</i> for TGC and 458.0 → 441.0 <i>m</i>/<i>z</i> for minocycline (IS). The linearity of the calibration was in the range of 20–2000 ng/mL in plasma and BALF. The validated method was successfully applied to investigate pharmacokinetic characteristics of tigecycline in critically ill patients. The results suggested that after intravenous administration of 100-mg q12h tigecycline, the AUC<sub>0–12</sub> was 3663.02 ± 2075.84 ng × h/mL and C<sub>ss,av</sub> was 305.25 ± 172.99 ng/mL; the average plasma concentration/ELF concentration ratio was 3.66. Significant individual differences and highly variable pharmacokinetic properties were observed, indicating that adjustment of dosing regimens according to therapeutic drug monitoring is effective and efficient to guarantee the drug efficacy and safety especially for critically ill patients.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrating Serum Pharmacochemistry With Network Pharmacology to Elucidate the Mechanism of Wushen Decoction in the Prevention and Treatment of Lower Extremity Erysipelas 结合血清药物化学与网络药理学研究乌参汤防治下肢丹毒的作用机制

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-10 DOI: 10.1002/bmc.70076

Ying Wang, Xiao Dai, Xianhong Zhu, Weiping Wang, Chen Wang, Shiyu Li, Shuai Sun, Xun Gao, Kunming Qin

{"title":"Integrating Serum Pharmacochemistry With Network Pharmacology to Elucidate the Mechanism of Wushen Decoction in the Prevention and Treatment of Lower Extremity Erysipelas","authors":"Ying Wang, Xiao Dai, Xianhong Zhu, Weiping Wang, Chen Wang, Shiyu Li, Shuai Sun, Xun Gao, Kunming Qin","doi":"10.1002/bmc.70076","DOIUrl":"https://doi.org/10.1002/bmc.70076","url":null,"abstract":"<div>\u0000 \u0000 <p>Lower extremity erysipelas (LEE), a frequently seen skin and soft tissue infection caused predominantly by streptococci, usually presents with fever, erythema and pain. Wushen Decoction (WSD), a Compound traditional Chinese medicine, has been used historically to treat LEE, though its exact mechanism of action remains unclear. In this study, we explored the therapeutic mechanisms of WSD in treating LEE by employing a combination of serum pharmacochemistry, network pharmacology, and molecular docking techniques. Initially, using UPLC-Q-Exactive Orbitrap-MS/MS, 39 candidate active compounds in the serum of rats treated with WSD were identified. Subsequently, network pharmacology analysis identified 35 overlapping targets between LEE and the active components, and 23 related signaling pathways. Further analysis and molecular docking studies have confirmed that the key active components (rutin, hyperoside and luteoloside) possess potential for effective therapeutic effects with the core targets (PTGS 2 and TNF). Furthermore, in vitro experiments demonstrated that WSD significantly downregulated the expression of PTGS 2 and TNF, thereby validating the network pharmacology findings and providing insights into the potential mechanisms. Results suggested that WSD may exert its therapeutic effects on LEE by modulating the TNF and NF-kappa B signaling pathway, offering a promising approach for the prevention and treatment of LEE.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification and Characterization of Dacomitinib Metabolites in Rats by Liquid Chromatography Combined With Q-Exactive-Orbitrap High Resolution Mass Spectrometry 液相色谱- q -精确轨道阱高分辨质谱联用鉴定大鼠达克米替尼代谢物

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-10 DOI: 10.1002/bmc.70075

Yayun Zhou, Jiming Sha, Biao Xu, Ke Zhang, Yuqi Wang, Shumei Jiang, Hongjian Zhang, Shengsong Xu

{"title":"Identification and Characterization of Dacomitinib Metabolites in Rats by Liquid Chromatography Combined With Q-Exactive-Orbitrap High Resolution Mass Spectrometry","authors":"Yayun Zhou, Jiming Sha, Biao Xu, Ke Zhang, Yuqi Wang, Shumei Jiang, Hongjian Zhang, Shengsong Xu","doi":"10.1002/bmc.70075","DOIUrl":"https://doi.org/10.1002/bmc.70075","url":null,"abstract":"<div>\u0000 \u0000 <p>Dacomitinib is an irreversible inhibitor targeting epidermal growth factor receptor, which has been developed for the treatment of metastatic non-small cell lung cancer (NSCLC). The aim of this study was to establish a reliable liquid chromatography combined with high resolution mass spectrometric method to identify and characterize the metabolites of dacomitinib in rats. In vitro metabolism was investigated through 60-min incubation with rat liver microsomes, while in vivo analysis involved bile and urine sample collection following a single oral 10 mg/kg dose. A total of 18 metabolites, were structurally elucidated through accurate MS measurements, MS<sup>2</sup> spectral interpretation, and fragmentation pattern analysis, including two GSH conjugates and two <i>N</i>-acetyl-cysteine conjugates. Among these metabolites, a total of 12 metabolites were first reported, i.e., M1, M2, M3, M7, M9, M10, M11, M13, M14, M15, M16, and M17. The parent drug remained the predominant species across all metrices. The primary metabolic pathways included: oxidative defluorination, <i>O</i>-demethylation, <i>N</i>-dealkylation, oxidative deamination, piperidin ring opening, <i>N</i>-oxygenation, lactam formation, dehydrogenation, and hydroxylation. Phase II biotransformation pathways included GSH conjugation and <i>N</i>-acetyl-cysteine conjugation. These findings enhance understanding of dacomitinib's metabolic fate, providing critical insights into its elimination mechanisms, and supporting subsequent evaluation of therapeutic efficacy and safety profiles.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Therapeutic Effect and Mechanism of Da-Huang-Zhe-Chong Pills on Uterine Fibroids Using Liquid Chromatography Combined With Mass Spectrometry Metabolomics 大黄浙冲丸治疗子宫肌瘤的疗效及机制——液相色谱-质谱联合代谢组学研究

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-10 DOI: 10.1002/bmc.70083

Yonghua Hu, Xujin Yang, Chenmei Ma, Zhen Wang, Xin Yuan, Man He, Penghai Zhang, Yi Tao

{"title":"Therapeutic Effect and Mechanism of Da-Huang-Zhe-Chong Pills on Uterine Fibroids Using Liquid Chromatography Combined With Mass Spectrometry Metabolomics","authors":"Yonghua Hu, Xujin Yang, Chenmei Ma, Zhen Wang, Xin Yuan, Man He, Penghai Zhang, Yi Tao","doi":"10.1002/bmc.70083","DOIUrl":"https://doi.org/10.1002/bmc.70083","url":null,"abstract":"<div>\u0000 \u0000 <p>Da-Huang-Zhe-Chong Pills (DHZCPs) have demonstrated efficacy in treating uterine fibroids (UFs), but the mechanisms underlying their action remain unclear. In this study, untargeted serum metabolomic analysis was employed to investigate the therapeutic effects of DHZCP in a rat model of UFs utilizing advanced ultra-performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) and pattern recognition. Histopathological examination through H&E staining revealed significant improvements in uterine morphology following DHZCP administration. The levels of four serum hormones, that is, estradiol (E<sub>2</sub>), follicle-stimulating hormone (FSH), luteinizing hormone (LH), and progesterone (PROG), tended to shift toward normal in the DHZCP-treated group compared with the model group. Our metabolomic profiling identified 20 distinct endogenous metabolites that were differentially expressed between UF and normal rats, with DHZCP treatment significantly normalizing 16 of these metabolic markers. Comprehensive pathway analysis highlighted three major metabolic pathways affected by DHZCP intervention: tryptophan metabolism, riboflavin metabolism, and arginine-proline metabolism. Notably, spearman correlation analysis indicated that tryptophan, lysoPC (18:1/0:0), uric acid, and serotonin were strongly positively correlated with serum levels of both E<sub>2</sub> and PROG. Additionally, riboflavin, indoleacetic acid, and indole-3-propionic acid were positively correlated with E<sub>2</sub> levels. Our findings suggest that DHZCP may exert therapeutic effects primarily through the modulation of tryptophan and riboflavin metabolism, providing a solid foundation for its clinical application.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

GC/MS and LC Composition Analysis of Essential Oil and Extracts From Wild Rosemary: Evaluation of Their Antioxidant, Antimicrobial, and Anti-Inflammatory Activities 野生迷迭香精油和提取物的GC/MS和LC组成分析：抗氧化、抗菌和抗炎活性评价

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-04-10 DOI: 10.1002/bmc.70084

Nasma Mahboub, Inasse Cherfi, Salah Eddine Laouini, Abderrhmane Bouafia, Abir Benaissa, Khaoula Alia, Fahad Alharthi, Khansaa Al-Essa, Farid Menaa

{"title":"GC/MS and LC Composition Analysis of Essential Oil and Extracts From Wild Rosemary: Evaluation of Their Antioxidant, Antimicrobial, and Anti-Inflammatory Activities","authors":"Nasma Mahboub, Inasse Cherfi, Salah Eddine Laouini, Abderrhmane Bouafia, Abir Benaissa, Khaoula Alia, Fahad Alharthi, Khansaa Al-Essa, Farid Menaa","doi":"10.1002/bmc.70084","DOIUrl":"https://doi.org/10.1002/bmc.70084","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Rosmarinus officinalis</i> L. (rosemary) is a widely used medicinal plant known for its antioxidant, antimicrobial, and anti-inflammatory properties. This study evaluates the bioactive potential of its essential oil (EO), methanolic (ME), and aqueous (AE) extracts. GC-MS analysis identified α-pinene (21.37%), bornanone (12.73%), and eucalyptol (8.28%) as major EO components, while HPLC revealed ME's richness in salicylic acid (5.11 μg/mg) and rutin (0.43 μg/mg). Antioxidant activity, assessed via DPPH and FRAP assays, showed ME with the strongest radical scavenging capacity (IC<sub>50</sub> = 27.30 ± 2.4%) and reducing power (IC<sub>50</sub> = 90.88 ± 6.7%). Antimicrobial testing revealed EO as the most effective, particularly against <i>Staphylococcus aureus</i> (33 mm inhibition zone) and <i>Bacillus subtilis</i> (32 mm), while AE and ME exhibited moderate activity. <i>Pseudomonas aeruginosa</i> was resistant to all extracts. Additionally, AE demonstrated notable anti-inflammatory activity (IC<sub>50</sub> = 55.88 ± 1.02%). These findings highlight rosemary as a rich source of bioactive compounds with strong pharmacological potential, positioning ME as the best antioxidant, EO as the most potent antimicrobial, and AE as an effective anti-inflammatory agent.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 5","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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