Journal of pharmaceutical and biomedical analysis最新文献

{"title":"Development and validation of an LC-MS/MS method for the determination of mycotoxins in the medicinal and edible herb dandelion.","authors":"Gang Wang, Chuanben Tian, Mingyue Jiao, Yuhan Wang, Xiaoyun Zhang, Sherif Ramzy Mohamed, Jianrong Shi, Jianhong Xu","doi":"10.1016/j.jpba.2026.117769","DOIUrl":"https://doi.org/10.1016/j.jpba.2026.117769","url":null,"abstract":"<p><p>Dandelion (Taraxacum mongolicum Hand.-Mazz.) is a medicinal and edible herb widely used in traditional Chinese medicine; however, studies on mycotoxin contamination in dandelion remain limited. Herein, we developed a liquid chromatography-triple quadrupole-tandem mass spectrometry (LC-QqQ-MS/MS) method for the simultaneous quantification of five common mycotoxins: aflatoxin B1 (AFB₁), deoxynivalenol (DON), fumonisin B1 (FB₁), ochratoxin A (OTA), and zearalenone (ZEN) in dandelion. The mycotoxins were extracted from dandelion herb, cleaned up by solvent dilution, and analyzed in multiple reaction monitoring (MRM) mode on an LC-QqQ-MS/MS system. Key parameters were optimized to achieve the best performance, including chromatographic conditions, MRM ion pairs, extraction solvents, and sample cleanup methods. Method validation was conducted in terms of specificity, limit of determination, limit of quantitation, linearity, intraday and interday precision, and matrix effect. Finally, a total of 54 dandelion samples collected from different regions of China were analyzed using the developed method. AFB₁ and FB₁ were detected in all the dandelion samples, while OTA was found in 45 samples. DON was detected in nine samples from three regions, whereas ZEN was not detected in any of the samples. FB₁ was found to be the most prevalent mycotoxin in the samples, ranging from 9.77 to 35.86 μg/kg, followed by AFB₁ and OTA, indicating co-occurrence of mycotoxins in this herb.</p>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"283 ","pages":"117769"},"PeriodicalIF":3.4,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149224311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Targeted mass spectrometry for absolute quantification of total human β‑nerve growth factor in the development of a bispecific therapeutic antibody.","authors":"Zhiling Zhang, Anish Bhandari, Enowmpey Enowtambong, Weiping Shao","doi":"10.1016/j.jpba.2026.117760","DOIUrl":"https://doi.org/10.1016/j.jpba.2026.117760","url":null,"abstract":"<p><p>Nerve growth factor (NGF) functions not only as a neurotrophic factor that supports neural survival and differentiation but also as a mediator and modulator of pain. Therapeutic agents that target circulating NGF have been developed for the treatment of pain. MEDI7352 is a bispecific antibody that simultaneously targets NGF and tumor necrosis factor. To support its clinical development and characterize target engagement, quantification of total NGF in human serum after administration of MEDI7352 is essential. Here we describe an ultrasensitive, consistent, and reliable high-throughput assay for the quantitation of total NGF in human serum, with a linear assay range of 10-1000 pg/mL. We used a non-competing polyclonal antibody for immuno-affinity (IA) capture to enrich NGF, followed by trypsin digestion and solid-phase extraction cleanup. The resulting tryptic peptide was quantified by microflow liquid chromatography-mass spectrometry (LC-MS). The assay was analytically validated and subsequently applied across multiple MEDI7352 clinical studies. Measurement of baseline serum NGF concentrations in patients with painful diabetic neuropathy (PDN) and osteoarthritis (OA) revealed statistically significant differences between the two cohorts. After MEDI7352 administration, the total NGF concentrations increased in a dose-dependent manner, concordant with pharmacokinetic (PK) exposure. Notably, the increase in total NGF and PK exposure was more pronounced in antidrug antibody (ADA) negative patients compared to ADA positive patients, indicating that total NGF biomarker measurements not only inform on target engagement of the therapeutic drug but also provide insights into the impact of immunogenicity. Overall, this novel IA-LC-MS hybrid approach enabled a sensitive bioanalytical assay for the characterization of soluble protein target and is readily generalizable to support other therapeutic programs in drug development or applications in other research areas.</p>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"283 ","pages":"117760"},"PeriodicalIF":3.4,"publicationDate":"2026-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149224272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Detection and quantification of ezetimibe and its major glucuronide in patients with hepatic impairment via liquid chromatography-tandem mass spectrometry","authors":"Dominique O. Farrera,&nbsp;Max M. Maloney,&nbsp;Christopher S. LaMadrid,&nbsp;Paige Lenzen-Hammerel,&nbsp;Lauren R. Radtke,&nbsp;Nathan J. Cherrington","doi":"10.1016/j.jpba.2026.117455","DOIUrl":"10.1016/j.jpba.2026.117455","url":null,"abstract":"<div><div>Following administration of ezetimibe (EZE), levels of the glucuronidated metabolite ezetimibe-glucuronide (EZEG) are altered in patients with hepatic impairment. A rapid and sensitive liquid chromatography–tandem mass spectrometry method (LC-MS/MS) method was developed and validated to quantify EZE and EZEG in human plasma and urine. Samples were prepared using a protein precipitation procedure with methanol containing stable isotope-labeled internal standards (EZE-d₄ and EZEG-d₄). Separation of the analytes was achieved using acetonitrile–water (0.1% formic acid) as the mobile phase at a flow rate of 0.5 mL/min on a C18 column. The analytes were detected using negative ionization in multiple reaction monitoring (MRM) mode. The mass transition pairs of <em>m/z</em> 408.4→271.0 and <em>m/z</em> 584.5→271.0 were used to quantify EZE and EZEG, respectively. The method was linear over a concentration range of 1.5 ng/mL – 1 µg/mL for EZE and EZEG in the plasma. In the urine, EZE was detectable a linear range of 5 ng/mL – 1 µg/mL and EZEG ranged from 3 ng/mL – 1 µg/mL. The method was validated in accordance with U.S. Food and Drug Administration and European Medicines Agency regulatory standards, including specificity, sensitivity, stability, repeatability and reproducibility. This ensures accuracy and reliability of test results which thereby enhances patient safety and helps support clinical decisions.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"275 ","pages":"Article 117455"},"PeriodicalIF":3.1,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147387784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metabolic profile of 25E-NBOH in human liver microsomes, rat urine, and fungus Cunninghamella elegans","authors":"Magdaléna Vágnerová ,&nbsp;Petr Palivec ,&nbsp;Monika Mrňavá ,&nbsp;Eliška Mizerová ,&nbsp;Bronislav Jurásek ,&nbsp;Silvie Rimpelová ,&nbsp;Jan Sácký ,&nbsp;Klára Šíchová ,&nbsp;Čestmír Vejmola ,&nbsp;Tomáš Páleníček ,&nbsp;David Sýkora ,&nbsp;Martin Kuchař","doi":"10.1016/j.jpba.2026.117417","DOIUrl":"10.1016/j.jpba.2026.117417","url":null,"abstract":"<div><div><em>N</em>-benzylphenethylamines are a class of new psychoactive substances (NPS) that are increasingly being used as recreational drugs with a wide range of adverse effects, possibly even death. Currently, the appearance of new <em>N</em>-benzylphenethylamines far outweighs the studies of their metabolism. One of such compounds, 25E-NBOH, has been on the market for the last seven years but its pharmacological and toxicological effects have not yet been thoroughly reported. To provide a basis for such studies, we investigated 25E-NBOH metabolism in three different systems: human liver microsomes, Wistar rat urine, and <em>Cunninghamella elegans</em> fungus, which contains enzymes similar to those found in mammals and serves as an environmentally sustainable and ethically favourable alternative to animal-based metabolic models. Untargeted LC-HRMS/MS was used to detect phase I and phase II 25E-NBOH metabolites in all three systems. A total of 56 metabolites were annotated, many of which occurred in multiple isomeric forms. Despite metabolic differences between the systems, several abundant metabolites were found in all of them. The primary metabolic pathways detected were hydroxylation at various positions, <em>O</em>-demethylation, and <em>N</em>-debenzylation, followed by conjugation with glucuronic acid, sulphate, or glucose. To confirm the presence of metabolites, we synthesised and measured ten substances under the same LC-HRMS/MS conditions as the real samples. Seven of these were successfully matched to detected metabolites based on retention time and MS/MS spectra, enabling structural assignment and isomer distinction. Additionally, the identity of 2C-E, a known psychoactive substance, was confirmed as one of the metabolites using a commercial reference standard. Lastly, we report the structures of three main biomarkers, suggested by both this study and prior literature. This study provides the first comprehensive <em>in vitro</em> and <em>in vivo</em> metabolic profile of 25E-NBOH, identifying the structures of specific metabolites using in-house synthesised reference standards and proposing structures for the main biomarkers. These findings establish a solid foundation for future pharmacological and toxicological studies, supporting clinicians in the accurate diagnosis of intoxication cases.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"275 ","pages":"Article 117417"},"PeriodicalIF":3.1,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147387785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Untargeted LC-MS-based metabolic fingerprinting of Escherichia coli-associated urinary tract infections and urosepsis: Insights into the urine, serum, and bacterial interactomes","authors":"Paweł Wityk ,&nbsp;Joanna Raczak-Gutknecht ,&nbsp;Margot Biesemans ,&nbsp;Beata Krawczyk ,&nbsp;Wiktoria Brzezińska ,&nbsp;Michał J. Markuszewski","doi":"10.1016/j.jpba.2026.117445","DOIUrl":"10.1016/j.jpba.2026.117445","url":null,"abstract":"<div><div>Urinary tract infections (UTIs) and urosepsis necessitate a deeper understanding of host–pathogen interactions at the metabolic level. We use LC-MS and GC-MS techniques to characterize metabolic pathway alterations in patients and <em>Escherichia coli</em> isolates during UTI and urosepsis. Our findings reveal substantial metabolic adaptations in the human host, including increased porphyrin metabolism, suggesting oxidative stress response or tissue damage. Activation of the pentose phosphate pathway (PPP) and tricarboxylic acid cycle (TCA) highlights the host’s heightened immune and energy demands during infection. Additionally, enhanced malate–aspartate shuttle activity suggests a greater reliance on glycolysis for energy production, while increased pyruvaldehyde degradation indicates active detoxification of harmful metabolic byproducts. In <em>E. coli</em>, distinct metabolic shifts depended on the extracellular/intracellular niche and infection stage. Intracellular metabolites of <em>E. coli</em> during urosepsis exhibited upregulated purine and biotin metabolism, reflecting a focus on replication and essential metabolic functions. Conversely, intracellular metabolites of <em>E. coli</em> during UTI displayed increased aspartate metabolism, TCA cycle activity, Warburg effect, fatty acid biosynthesis, and glycine/serine metabolism, indicative of urinary tract adaptation. Extracellular metabolites of <em>E. coli</em> during urosepsis exhibited a broad activation of sugar metabolism, highlighting its ability to exploit diverse nutrient sources in systemic infection. In contrast, extracellular metabolites of <em>E. coli</em> during UTI demonstrated specific metabolic changes, including propanoate metabolism activation and homocysteine dysregulation, reflecting unique urinary tract conditions. These findings provide insights into the metabolic pathways employed by host and pathogen during UTI and urosepsis, uncovering potential metabolic vulnerabilities in <em>E. coli</em>.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"275 ","pages":"Article 117445"},"PeriodicalIF":3.1,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147372847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling the heterogeneity of hyperuricemia using untargeted metabolomics and statistical modeling","authors":"Juan Wang ,&nbsp;Zhongda Zeng ,&nbsp;Wei Duan ,&nbsp;Zhuo Man ,&nbsp;Miaomiao Wang ,&nbsp;Zhong Yang","doi":"10.1016/j.jpba.2026.117444","DOIUrl":"10.1016/j.jpba.2026.117444","url":null,"abstract":"<div><div>Hyperuricemia is the second most prevalent metabolic disorder globally and exhibits pronounced heterogeneity in clinical practice. Only about 10% of individuals with asymptomatic hyperuricemia (HUA) progress to gout, yet the lack of specific biomarkers and precise therapeutic targets hinders accurate prediction of disease progression. This work focuses on investigating the heterogeneity of hyperuricemia, aiming to elucidate potential mechanisms underlying its transition from asymptomatic to symptomatic stages. A total of 107 serum samples were analyzed, including 36 healthy controls (Con), and 30, 32 and 9 patients with HUA, gouty arthritis (gout), and gout complicated by uric acid nephrolithiasis (UAN), respectively. Using an advanced SCIEX ZenoTOF 7600-based untargeted metabolomics platform, 925 metabolites were identified in both positive and negative ionization modes. The assessment of quality control (QC) samples showed high precision in instrumental measurement with RSD values of the ion features less than 30% achieving 91.76% and 89.73% respectively in the two ionization modes. A total of 46, 37, 28, and 26 differential metabolites were identified among the four groups. Among them, four metabolites showed high sensitivity and specificity in the analysis of the first three groups. Five metabolic pathways remained consistently dysregulated throughout disease progression, which indicates their potential as mechanistic drivers. These findings provide novel biological insights for the early diagnosis and precision treatment of gout and its complications, and offer a crucial foundation for understanding the metabolic basis of hyperuricemia heterogeneity.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"275 ","pages":"Article 117444"},"PeriodicalIF":3.1,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147369643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrigendum to “Systematic characterization of chemical constituents and in vivo metabolites of Jiuwei Qianghuo Granules by UPLC-Q-TOF-MS/MS” [J. Pharm. Biomed. Anal. 274 (2026) 117443]","authors":"Zihang Xu ,&nbsp;Chen Zhou ,&nbsp;Mengru Wu ,&nbsp;Shenqi Sun ,&nbsp;Hongfei Wu ,&nbsp;Jingyao Xia ,&nbsp;Mengjiao Zhou ,&nbsp;Yehan Zhu ,&nbsp;Beibei Xiang ,&nbsp;Yaqi Yao","doi":"10.1016/j.jpba.2026.117447","DOIUrl":"10.1016/j.jpba.2026.117447","url":null,"abstract":"","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"275 ","pages":"Article 117447"},"PeriodicalIF":3.1,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147377874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determination of antigen components in inactivated SARS-CoV-2 vaccine using ultra-high-performance liquid chromatography tandem mass spectrometry","authors":"Jiexia Shi ,&nbsp;Fenfang Deng ,&nbsp;Yongxian Li ,&nbsp;Juntao Li ,&nbsp;Rongfei Peng ,&nbsp;Jun Yuan ,&nbsp;Lei Tan","doi":"10.1016/j.jpba.2026.117388","DOIUrl":"10.1016/j.jpba.2026.117388","url":null,"abstract":"<div><div>Accurate and reliable quantification of antigen components in vaccines is critical in vaccine quality control and evaluation of immunogenic consistency. However, conventional immunoassays often suffer from limited specificity, trace-level antigen concentrations, and indirect quantification. In this study, we demonstrated an ultra-high-performance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS) method for the determination of effective antigen components in inactivated SARS-CoV-2 vaccines. Specifically, the vaccine samples were denatured and digested with trypsin to generate tryptic peptides. Then, the signature peptides derived from the nucleocapsid protein and their stable isotope–labeled internal standards were selectively captured and separated using anti-peptide antibody-conjugated magnetic beads. The signature peptides were characterized by ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry, which confirmed their amino acid sequence and multi-charged ionization states. Quantitative analysis was then performed using UHPLC-MS/MS in positive electrospray ionization mode with multiple reaction monitoring. Chromatographic separation of the signature peptides was achieved on an ACQUITY Premier Peptide BEH C₁₈ column using 0.1 % formic acid in water and 0.1 % formic acid in acetonitrile as the mobile phases. The method was validated and exhibited excellent linearity for the signature peptides over the concentration range of 1–60 μg/L, with correlation coefficients higher than 0.999. The recovery ranged from 75.1 % to 86.3 %, with intra-day precision (RSD) of 0.8–1.0 % and inter-day precision of 1.3–3.6 %. Finally, the method was successfully applied to determine the effective antigen components in inactivated SARS-CoV-2 vaccine samples. The concentrations of the signature peptide ADETQALPQR ranged from 4.95 to 12.95 µg/L across the three vaccine batches analyzed, corresponding to 4.38–11.47 nmol/L of nucleocapsid protein. The results indicated that the method exhibited great promise for the determination of active antigenic proteins in inactivated SARS-CoV-2 vaccine samples and provided an alternative analytical platform for vaccine quality control.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"273 ","pages":"Article 117388"},"PeriodicalIF":3.1,"publicationDate":"2026-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146125450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A novel thin layer chromatography based method for the quantification of quillaic acid saponins","authors":"Fabian E. Bülow ,&nbsp;Adam Matkowski ,&nbsp;Alexander Weng","doi":"10.1016/j.jpba.2026.117409","DOIUrl":"10.1016/j.jpba.2026.117409","url":null,"abstract":"<div><div>Saponins display medicinal properties such as enhancing the drug delivery of biologicals, and boosting immune responses within vaccinations. As plant derived molecules, their phytochemical analysis is key to ensure pharmaceutical quality. The quantification of saponins is typically carried out by high-performance liquid chromatography (HPLC). The aim of this study was the development of a simple thin-layer chromatography (TLC) based method for the quantification of the sapogenin quillaic acid (QA), the triterpenoid backbone of saponins such as QS21 that are used as immunological adjuvants. Following acidic hydrolysis of the saponins, the corresponding sapogenins were derivatized with 4-hydrazino-7-nitro-2,1,3-benzoxadiazole hydrazine (NBD-H) to form fluorescent hydrazones, increasing both the sensitivity and selectivity of the method. The detection of sapogenins with NBD-H is reported here for the first time. The QA-containing TLC bands were identified by mass spectrometry and their quantification was subsequently performed by densitometry. After validation, the method was applied to two plant species from Caryophyllaceae. To verify the plant’s QA contents determined by TLC, a complementary HPLC method was developed. This study presents a new cost-effective method to quantify QA, enabling laboratories with limited resources to monitor plant cultivation and perform phytopharmaceutical quality control.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"273 ","pages":"Article 117409"},"PeriodicalIF":3.1,"publicationDate":"2026-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Serum metabolomics reveal metabolic changes in coal workers’ pneumoconiosis progression","authors":"Jiyu Xu ,&nbsp;Mingyao Wang ,&nbsp;Zhifei Hou ,&nbsp;Jie Kong ,&nbsp;Mengge Zhang ,&nbsp;Yizhuo Tian ,&nbsp;Jiangfeng Liu ,&nbsp;Juntao Yang ,&nbsp;Huaping Dai","doi":"10.1016/j.jpba.2026.117410","DOIUrl":"10.1016/j.jpba.2026.117410","url":null,"abstract":"<div><div>Chronic inhalation of coal dust causes coal workers’ pneumoconiosis (CWP), which is one of the leading occupational diseases. Coal workers’ pneumoconiosis is currently incurable, posing a serious public health threat. Identifying the underlying molecular mechanisms of CWP is critical to overcome this challenge. Nowadays, metabolomics has bridged underlying molecular alterations with disease progression, providing a useful tool for researching the pathogenesis and finding biomarkers. In this study, a comprehensive view of metabolic characterization of serum from CWP patients at all stages was provided using untargeted metabolomic analysis. As a result, when compared to healthy controls, the specific alteration patterns of each stage were observed. The results showed arginine and cortisol could be core metabolites in CWP progression. Moreover, five metabolites that significantly changed when going from “solely chronic coal-dust exposure” to an early stage were screened out as potential biomarkers. The receiver operating characteristic results were 0.691–0.862 (individual) and 0.884–0.907 (combined). These findings will benefit the application of metabolomics to understand the pathological mechanism and identify diagnostic biomarkers for CWP.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"273 ","pages":"Article 117410"},"PeriodicalIF":3.1,"publicationDate":"2026-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}