Biomedical Chromatography最新文献

{"title":"Phytochemical Analysis, Radical Scavenging Activity, and Molecular Docking Studies of Heliotropium sibiricum (L.) J.I.M.Melo","authors":"Alper Durmaz,&nbsp;Erdi Can Aytar,&nbsp;Betül Aydın,&nbsp;Emine İncilay Torunoğlu,&nbsp;Fatma Gönül Solmaz,&nbsp;Altevir Rossato Viana,&nbsp;Ayşen Melda Çolak,&nbsp;Erico Marlon Moraes Flores","doi":"10.1002/bmc.70147","DOIUrl":"https://doi.org/10.1002/bmc.70147","url":null,"abstract":"<div>\u0000 \u0000 <p>This study explores the phytochemical profile and molecular docking properties of <i>Heliotropium sibiricum</i> (L.) J.I.M.Melo, as detailed in <i>Kew Bull</i>. 77: 970 (2022). Antioxidant assays revealed strong radical scavenging activity (DPPH: 0.14 ± 0.02 μg/mL) and moderate iron chelation capacity (4.23 ± 0.99 mg/mL). The extract exhibited high phenolic (393.79 ± 30.14 μg/mL) and flavonoid (50.76 ± 1.40 μg/mL) contents. Enzymatic antioxidant assays showed notable activities: MDA (0.2141 ± 0.0047 μM), CAT (426 ± 14.73 U/mg), PO (8.366 ± 0.15 U/mg), SOD (53.13 ± 1.41 U/mg), and Mn-SOD (7.63 ± 0.31 U/mg). GC–MS analysis identified major compounds including pyrrolidine (15.08%), neophytadiene (9.40%), 9,12,15-octadecatrienoic acid (9.75%), and 2-pentadecanone, 6,10,14-trimethyl- (7.19%). Molecular docking revealed binding energies ranging from −3.4 to −5.2 kcal/mol, with 1,2-cyclohexanedimethanol showing the strongest interaction. These results demonstrate the plant's significant antioxidant potential and suggest that its bioactive constituents may serve as promising candidates for pharmacological development.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292740","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}

{"title":"Integration of Metabolomics, Lipidomics, and Machine Learning for Developing a Biomarker Panel to Distinguish the Severity of Metabolic-Associated Fatty Liver Disease","authors":"Yanqiao Hui,&nbsp;Jiameng Qu,&nbsp;Junjie Yang,&nbsp;Hanwen Zhang,&nbsp;Chen Liang,&nbsp;Naixin Miao,&nbsp;Qian Zhang,&nbsp;Huarong Xu,&nbsp;Yiling Li,&nbsp;Qing Li","doi":"10.1002/bmc.70142","DOIUrl":"https://doi.org/10.1002/bmc.70142","url":null,"abstract":"<div>\u0000 \u0000 <p>Metabolic-associated fatty liver disease (MAFLD), a global health challenge linked to metabolic syndrome, requires accurate severity stratification for clinical management. Current invasive diagnostic methods limit practical implementation. This study integrated multi-omics and machine learning to establish a non-invasive biomarker panel for the early stage of MAFLD assessment. Transcriptomic analysis of GEO datasets via weighted gene co-expression network (WGCNA) and differential expression revealed critical pathways associated with MAFLD progression. Subsequently, LC–MS/MS-based widely targeted metabolomics and lipidomics were conducted on plasma samples from 40 healthy controls and 120 patients with MAFLD at varying stages of severity (40 mild, 40 moderate, and 40 severe). Machine learning algorithms (LASSO regression, logistic regression, decision trees, and XGBoost) were then applied to these datasets to identify critical biomarkers linked to disease severity. Ultimately, a biomarker panel comprising 5-aminolevulinic acid, mesaconic acid, shikimic acid, PC O-35:3, and PI 36:2 exhibited outstanding diagnostic performance in detecting the prevalence and severity of MAFLD, achieving an accuracy of 88.3% in the training cohort and over 91.7% prediction accuracy in the independent test cohort. The identified biomarker panel offers a promising non-invasive approach for assessing MAFLD severity, paving the way for precision medicine and treatment in MAFLD.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144292741","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}

{"title":"Study of Lipophilic Substances of Laetiporus sulphureus (Bull. Fr) Murril at Different Stages of Maturity of Mushroom Fruiting Bodies","authors":"Ivan M. Korabel,&nbsp;Lidiia V. Panchak,&nbsp;Alina R. Zyn,&nbsp;Olga R. Vrubel,&nbsp;Volodymyr O. Antonyuk","doi":"10.1002/bmc.70140","DOIUrl":"https://doi.org/10.1002/bmc.70140","url":null,"abstract":"<div>\u0000 \u0000 <p>Lipophilic substances of fruiting bodies of <i>Laetiporus sulphureus</i> (Bull. Fr) Murril (Aphyllophorales, Polyporaceae), collected at different stages of development, were studied. The method of gas chromatography–mass spectrometry (GC/MS) was used for their analysis. During the vegetative period of fruiting bodies of mushrooms (3–4 weeks), the mass and chemical composition of the lipophilic extract change significantly. The main substances of lipophilic extracts are fatty acids: saturated (palmitic and stearic) and unsaturated (oleic and linolenic), saturated hydrocarbons: docosane, tricosane, tetracosane, and pentacosane, as well as squalene. The percentage content of palmitic and stearic acids in the lipophilic extract during the growth of fruiting bodies remains approximately at the same level. The content of oleic acid increases with the age of fruiting bodies, while the content of linoleic acid, on the contrary, decreases. The squalene content is highest in young mushrooms and decreases with age. It is concluded that when analyzing the chemical composition of mushroom fruiting bodies, it is very important to indicate the stage of their development. As a source of squalene, young fruiting bodies of <i>L. sulphureus</i> may be of interest at some increase in its content.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281559","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}

{"title":"Metabolomics Analysis Reveals That Anoectochilus roxburghii Extract Enhances Immunity in Immunosuppressed Rats by Modulating Lipid Metabolism and Amino Acid Metabolism","authors":"Xu Fang,&nbsp;Ying Yang,&nbsp;Xinmei Cao,&nbsp;Yi Tao","doi":"10.1002/bmc.70144","DOIUrl":"https://doi.org/10.1002/bmc.70144","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Anoectochilus roxburghii</i> (AR) has been reported to exhibit immunomodulatory activity. However, the underlying mechanism has not yet been fully elucidated. The present study employed a gas chromatography–mass spectrometry–based metabolomics approach, combined with histopathological and biochemical analyses, to investigate the metabolomic changes and therapeutic effects of AR in cyclophosphamide-induced immunosuppressed rats. The rats were divided into four groups: control group, model group, positive group, and AR-treated groups. The immunosuppressed model was established by intraperitoneal injection of cyclophosphamide (CTX, 150 mg/kg/day). The model group showed significant reductions in spleen and thymus indices, along with elevated levels of tumor necrosis factor-α (TNF-α) and interleukin-2 (IL-2) but decreased interleukin-10 (IL-10). AR treatment restored spleen and thymus indices and normalized TNF-α, IL-2, and IL-10 levels compared to the model group. Pattern recognition was employed to identify potential biomarkers. Pattern recognition analysis identified potential biomarkers: 26, 25, and 28 differential endogenous metabolites in the model, positive control, and AR-treated groups, respectively. Among these, 15 endogenous metabolites were validated using standard compounds, which demonstrated excellent linearity (<i>R</i>² &gt; 0.9991) and precision (intraday RSD &lt; 4.82%, interday RSD &lt; 4.39%). Recovery rates for the standards ranged from 95.40% to 104.91%, with RSD values below 5.97%. Pearson correlation analysis revealed that lactic acid, threonine, 5-oxoproline, palmitic acid, and arachidonic acid are positively correlated with spleen and thymus indices, whereas valine, urea, octaethylene glycol, and 2-palmitoyl glycerol are negatively correlated with these indices. Collectively, these findings demonstrate that AR extract enhances immunity in immunosuppressed rats by modulating lipid and amino acid metabolism.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281558","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}

{"title":"Development and Validation of an LC–MS/MS Assay for Quantitative Analysis of Nusinersen in Human CSF and Plasma","authors":"Tingting Xu,&nbsp;Wei Zuo,&nbsp;Zhuo Sun,&nbsp;Simin Zhang,&nbsp;Zhengqing Qiu,&nbsp;Bo Zhang,&nbsp;Yi Dai","doi":"10.1002/bmc.70138","DOIUrl":"https://doi.org/10.1002/bmc.70138","url":null,"abstract":"<div>\u0000 \u0000 <p>Nusinersen is the first antisense oligonucleotide (ASO) drug approved for the treatment of spinal muscular atrophy (SMA) in China; however, its pharmacokinetics (PK) in Chinese SMA patients remains unknown. The objective of this study was to develop and validate a liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) methodology for quantifying nusinersen in human plasma and cerebrospinal fluid (CSF) samples. The samples were prepared by protein precipitation, and then the gradient was eluted on a column of Acquity UPLC Xbridge C18 by using acetonitrile with 0.5% triethylamine (TEA) and 0.5% hexafluoroisopropanol (HFIP) and water with 0.5% TEA and 0.5% HFIP as the mobile phase. Detection was performed on a QTRAP6500⁺ tandem mass spectrometer in the negative ion multiple reaction monitoring (MRM) mode using electrospray ionization (ESI). The optimized method was successfully qualified for the nusinersen in human plasma and CSF samples over the range of 5.00 to 1000 ng/mL and 2.00 to 400 ng/mL, respectively. Importantly, our work is the first report of quantification of nusinersen in human plasma and CSF by LC–MS/MS methodology. The developed methodology is reliable and will be applied to PK study of nusinersen in Chinese SMA patients.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281618","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}

{"title":"A New, Fast, and Sensitive UPLC-ESI-MS/MS Method for the Simultaneous Analysis of 13 Neurotransmitters in Rat Brain","authors":"Ahmad A. Deeb,&nbsp;Alaa M. Hammad,&nbsp;Sawsan I. Khdair,&nbsp;Hamza Abumansour","doi":"10.1002/bmc.70145","DOIUrl":"https://doi.org/10.1002/bmc.70145","url":null,"abstract":"<div>\u0000 \u0000 <p>Neurotransmitters are crucial for the chemical signaling in the central nervous system. The present work proposes a novel UPLC-ESI-MS/MS method for simultaneously determining 13 neurotransmitters in the amygdala brain region in rats. A Zorbax SB C18 column and a gradient mobile phase consisting of a mixture of water and acetonitrile comprising 0.2% heptafluorobutyric acid and 0.1% formic acid were used. By the ICH guideline, outstanding linearity of the method (<i>R</i>² &gt; 0.99), detectors' sensitivity, and specificity are demonstrated with low LOD (0.011 pg/mL for endorphins to 2.69 ng/mL for serotonin) and LOQ (0.06 for endorphins to 14 ng/mL for serotonin) values. The recovery ranged from 94% for anandamide to 98% for fatty acid amide hydrolase. Following the static test validation process, aspects of the method such as accuracy, precision, matrix effect, and stability were confirmed, with each neurotransmitter assigned retention times ranging from 1 to 4.3 min (GABA and endorphins, respectively). In the context of brain regions, the technique allows comprehensive neurochemical analysis in the amygdala and is a step forward for neurochemistry understanding. It opens up a brand-new approach to studying brain disorders, providing brain operation and its pathologies in an elaborate matrix in an extremely short time.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264673","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}

{"title":"UPLC-Q-TOF-MS-Based Serum Metabolomics Explores the Mechanism of Pingwei Powder in Treating the Damp Retention in the Middle-Jiao Syndrome","authors":"Na Li,&nbsp;Tongyan Zhu,&nbsp;Yuxin Dong,&nbsp;Chunying Zhao,&nbsp;Jianhui Chen,&nbsp;Yuxuan Tian,&nbsp;Yuling Liu,&nbsp;Xia Hong,&nbsp;Hui Xiong","doi":"10.1002/bmc.70143","DOIUrl":"https://doi.org/10.1002/bmc.70143","url":null,"abstract":"<div>\u0000 \u0000 <p>Pingwei powder (PWP) was a classic prescription to treat damp retention in the middle-jiao syndrome (DRMS) in clinic. This study aimed to investigate the therapeutic effects and functional mechanisms of PWP in treating DRMS by analyzing the general characteristics, fecal morphology, clinical chemistry, histopathology, and ultra-performance liquid chromatography-electrospray ionization-quadrupole-time of flight-mass spectrometry (UPLC-Q-TOF-MS)-based serum metabolomics. The results indicated that PWP significantly improved the general morphological characteristics, fecal humidity, body weight, and gastrointestinal peristalsis function, as well as inflammation damage and edema in the small intestine, stomach, and kidney tissues of model rats. Additionally, the levels of aquaporin 2 (AQP2) in kidney tissue, aquaporin 3 (AQP3) in small intestine tissue, and AQP2 in urine were reduced, whereas the levels of motilin (MTL) in serum were increased. A total of 33 serum biomarkers was identified, of which 21 biomarkers were recalled after PWP administration, including LysoPC(O-18:0), retinal, 9(10)-EpOME, and so forth. Pathway analysis proved that the therapeutic effect of PWP on DRMS was mainly associated with primary bile acid biosynthesis, arachidonic acid metabolism, glycerophospholipid metabolism, retinol metabolism, alpha-linolenic acid metabolism, histidine metabolism, and so forth. This study utilized metabolomics, general biochemical indicators, and histopathological analysis to elucidate the potential mechanism of PWP treatment for DRMS.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264465","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}

{"title":"Optimization and Validation of a High-Performance Liquid Chromatography (HPLC-UV) Method for Quantification of α-Lipoic Acid in Cyclodextrins Complex for Ocular Delivery","authors":"Phuong Linh Ta,&nbsp;Lucia Bernat-Just,&nbsp;Adrián M. Alambiaga-Caravaca,&nbsp;Vicent Rodilla,&nbsp;Alicia López-Castellano,&nbsp;Francisco Bosch-Morell","doi":"10.1002/bmc.70133","DOIUrl":"https://doi.org/10.1002/bmc.70133","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <p>Alpha-lipoic acid (ALA) is a natural antioxidant with therapeutic potential, but no method currently quantifies ALA in ocular structures. This study utilizes beta-cyclodextrins (β-CD) and (2-hydroxypropyl)-β-cyclodextrins (HP-β-CD) to enhance ALA solubility and stability in 1:1 M ratio. This study aims to optimize and validate a method for quantifying ALA in CD complexes using high-performance liquid chromatography with ultraviolet detection (HPLC-UV) and to perform a diffusion study to evaluate ALA's permeability in ocular tissue. The HPLC method employed a C18 column (150 × 4.6 mm, 5 μm particle size) with an isocratic mobile phase of acetonitrile and water (50:50, v/v) at pH 4.0, a flow rate of 1 mL/min, detected ALA after 4.8 min at a wavelength of 334 nm. Validation of the method was conducted according to the ICH guideline M10 on bioanalytical method validation. The stability study revealed that better stability was obtained for ALA in β-CD inclusion in comparison with HP-β-CD. The <i>ex vivo</i> study using Franz diffusion cells was performed to confirm that ALA was able to permeate through the cornea and sclera via ocular administration. This accurate and precise HPLC-UV method paves the way for future research into ALA's potential to alleviate ocular conditions.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Summary</h3>\u0000 \u0000 <div>\u0000 \u0000 <ul>\u0000 \u0000 \u0000 <li>This study optimized and validated a precise and accurate HPLC-UV method for quantifying ALA in CD complexes, following ICH guideline M10 on bioanalytical method validation.</li>\u0000 \u0000 \u0000 <li>Stability studies revealed that β-CD complexes provided better thermal and solubility stability for ALA compared to HP-β-CD complexes.</li>\u0000 \u0000 \u0000 <li>The <i>ex vivo</i> diffusion study confirmed that ALA successfully permeated the cornea and sclera via ocular administration.</li>\u0000 \u0000 \u0000 <li>The validated method lays the groundwork for future research on ALA's potential to alleviate complications associated with ocular diseases.</li>\u0000 </ul>\u0000 </div>\u0000 </section>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bmc.70133","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144244648","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}

{"title":"Quantitation of Tuvusertib (M1774) in Human Plasma by LC-MS/MS","authors":"Tien V. Le,&nbsp;Robert A. Parise,&nbsp;Julianne L. Holleran,&nbsp;Christopher J. Bakkenist,&nbsp;Timothy Synold,&nbsp;Ye Feng,&nbsp;Gregory M. Cote,&nbsp;Steven D. Gore,&nbsp;Jan H. Beumer","doi":"10.1002/bmc.70134","DOIUrl":"https://doi.org/10.1002/bmc.70134","url":null,"abstract":"<div>\u0000 \u0000 <p>Ataxia-telangiectasia and Rad3-related (ATR) protein kinase is an essential regulator of the DNA damage response (DDR) at stalled and collapsed replication forks. Tuvusertib (M1774) is a selective, orally available small molecule ATR inhibitor currently in preclinical and clinical development for cancer treatment. This study presents a robust and simple 5-min assay designed for the quantification of single agent tuvusertib in human plasma utilizing liquid chromatography tandem mass spectrometry (LC-MS/MS). A 20 μL volume of plasma was subjected to protein precipitation, followed by chromatographic separation using a Phenomenex Synergi Polar-RP (4 μm, 2.1 × 50 mm) and a gradient mobile phase system consisting of 0.1% formic acid in both water and acetonitrile during a 4-min run time. Mass spectrometric detection was achieved using a SCIEX 6500+ tandem mass spectrometer with electrospray positive-mode ionization. With a stable isotopic internal standard, our assay met the criteria outlined by the Food and Drug Administration guidance for bioanalytical method validation, demonstrating robust performance within the range from 5 to 5000 ng/mL. This assay will support ongoing and future clinical studies by defining tuvusertib pharmacokinetics.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144244218","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}

{"title":"Metabolomic Analysis of Deep Vein Thrombosis: A Primary Study","authors":"Donglin He,&nbsp;Yufan Chao,&nbsp;Hongyan Cheng,&nbsp;Lianbiao Shan,&nbsp;Shuo Wu,&nbsp;Xin Dong","doi":"10.1002/bmc.70137","DOIUrl":"https://doi.org/10.1002/bmc.70137","url":null,"abstract":"<div>\u0000 \u0000 <p>Deep vein thrombosis (DVT) is a significant contributor to cardiovascular morbidity and mortality, which can be classified as muscular calf vein thrombosis (MCVT) or popliteal vein thrombosis (PVTE). This study aimed to evaluate the differential metabolites of DVT using ultra-high performance liquid chromatography–tandem mass spectrometry (UHPLC–MS/MS). Metabolic profiles were analyzed, and binary logistic regression was used to build a diagnostic model to identify possible potential biomarkers for distinguishing DVT and its subtypes. The area under the curve (AUC) of the receiver operating characteristic (ROC) curves was employed to evaluate the diagnostic performance of these possible potential biomarkers. In this study, eight, three, and six differential metabolites associated with DVT, MCVT, and PVTE were identified. Enrichment analysis of differential metabolites revealed that DVT was mainly associated with energy metabolism, purine metabolism, and amino acid metabolism. Diagnostic models were developed based on differential metabolites; the diagnostic performance of DVT, MCVT, and PVTE was excellent. Our findings revealed distinct metabolic profiles for DVT, MCVT, and PVTE. Despite the small sample size and the inclusion of only Asian populations, this study paves the way for future large-sample multicenter follow-up studies.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144244125","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}