Journal of pharmaceutical and biomedical analysis最新文献

{"title":"Rapid characterization of the chemical composition and metabolic transformation of flavonoids in Da-Cheng-Qi Decoction guided by feature-based molecular networking and sequential metabolism strategy","authors":"Yanmin Wang ,&nbsp;Huize Xie ,&nbsp;Zheng Li ,&nbsp;Jiakang Jiao ,&nbsp;Yani Jiang ,&nbsp;Yanrui Xu ,&nbsp;Zhenhong Zhang ,&nbsp;Jiamin Wu ,&nbsp;Zijie Chen ,&nbsp;Jingjuan Wang","doi":"10.1016/j.jpba.2025.116950","DOIUrl":"10.1016/j.jpba.2025.116950","url":null,"abstract":"<div><div>Flavonoids in Da-Cheng-Qi Decoction (DCQD), especially polymethoxyflavones (PMFs) and hydroxylated polymethoxyflavones (OH-PMFs), remain to be further explored considering their various biological activities. This study proposed an integrated strategy combining feature-based molecular networking (FBMN) and sequential metabolism strategy for the flavonoids analysis in DCQD extracts and <em>in vivo</em>. Firstly, based on FBMN annotation, a total of 102 flavonoids were identified in DCQD, including 14 flavones, 18 flavanones, 3 flavonols, 8 PMFs, 16 OH-PMFs aglycones and 43 OH-PMFs glycosides, among which 35 OH-PMFs glycosides were first reported as potential new compounds and the isomers of PMFs and OH-PMFs were innovatively discriminated by RDA fragmentation ions ^1,3A⁺, ^1,4A⁺ and ^1,3B⁺. Then, 9 metabolites were identified in rat plasma and the dynamic metabolic transformation of flavonoids <em>in vivo</em> was characterized based on sequential metabolism strategy. Flavanones mainly undergo deglycosylation, sulfation and glucuronidation before entering the circulation system. The inter-transformation from PMFs to OH-PMFs by demethylation and hydroxylation, and the subsequent glucuronidation of OH-PMFs were observed in enterocytes and hepatocytes. The present study elucidated the flavonoids in DCQD and their metabolic transformation <em>in vivo</em>, which laid a material basis for the in-depth pharmacology and mechanism research of DCQD and provided guidance for the comprehensive chemical and metabolic characterization of traditional Chinese medicine formulas.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116950"},"PeriodicalIF":3.1,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928378","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":"The potential mechanism of co-administration of Scutellaria baicalensis Georgi and Rubia cordifolia L ameliorating ulcerative colitis: Integration of metabolomics, network pharmacology, and molecular docking","authors":"Shichen Min ,&nbsp;Yulai Fang ,&nbsp;Mengyuan Zhang ,&nbsp;Hong Shen ,&nbsp;Lei Zhu","doi":"10.1016/j.jpba.2025.116948","DOIUrl":"10.1016/j.jpba.2025.116948","url":null,"abstract":"<div><div><em>Scutellaria baicalensis</em> Georgi (HQ) and <em>Rubia cordifolia</em> L. (QC) are clinically effective against ulcerative colitis (UC), but their synergistic mechanisms remain unclear. This study evaluated the therapeutic effects of HQ, QC, and their combination (HQ-QC) in dextran sulfate sodium (DSS)-induced colitis and explored underlying mechanisms. Mice were divided into normal, model, HQ, QC, HQ-QC, and 5-ASA groups. Colon tissue metabolomics was performed using UPLC-Q-TOF-MS, while network pharmacology and molecular docking identified potential anti-UC targets. The HQ-QC combination significantly alleviated weight loss, colon shortening, and histopathological damage, and improved intestinal barrier function and inflammation compared to single herbs. Metabolomics revealed xanthine, cytosine, and N-octanoylsphingosine-1-phosphate as key metabolites enriched in vascular smooth muscle contraction and fatty acid metabolism pathways. Network pharmacology identified 62 potential targets, with wogonin and xyloidone as major active compounds. KEGG analysis highlighted platelet activation as a key pathway, and molecular docking confirmed strong binding of wogonin and xyloidone to platelet activation-related targets including PIK3CG, NOS3, PTGS1, and MAPK14. These findings suggest HQ-QC exerts synergistic effects in treating DSS-induced UC by regulating vascular smooth muscle contraction and platelet activation, providing mechanistic insight into its clinical potential<strong>.</strong></div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116948"},"PeriodicalIF":3.1,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928382","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":"Sedative-hypnotic effects of Yiyin Anshen Granule on mice models of insomnia by regulating neurotransmitters, cytokines, and gut microbiota","authors":"Chunge Zhang ,&nbsp;Qi Wu ,&nbsp;Xiang Tao,&nbsp;Zhaowei Yan,&nbsp;Qiang Han,&nbsp;Xin Yao,&nbsp;Yuying Chai,&nbsp;Lin Chen,&nbsp;Yeqin Mao,&nbsp;Zongqi Cheng","doi":"10.1016/j.jpba.2025.116949","DOIUrl":"10.1016/j.jpba.2025.116949","url":null,"abstract":"<div><div>This study aims to elucidate the pathways through which Yiyin Anshen Granule (YA) exerts sedative-hypnotic effects in a mouse model of sleep deprivation. DL-4-chlorophenylalanine(PCPA)-treated mice received intragastric administration of YA and pentobarbital sodium-induced sleep tests were conducted on days 7, 14, and 29. The levels of key neurotransmitters, cytokines and receptor protein associated with insomnia were measured using enzyme-linked immunosorbent assay (ELISA) and Western blot. Additionally, 16S ribosomal DNA (rDNA) sequencing was performed to assess the impact of YA on gut microbiota, focusing on species abundance and diversity. YA significantly shortened sleep latency (<em>P</em> &lt; 0.01) and prolonged sleep duration (<em>P</em> &lt; 0.01) in sleep-deprived mice, effectively improving circadian rhythm disturbances compared to the model group (MOD). Biochemical analysis revealed that YA restored abnormal neurotransmitter levels in brain tissue, increasing 5-hydroxytryptamine (5-HT), γ-aminobutyric acid (GABA), and γ-aminobutyric acid type A receptor α-1 subunit (GABAARα1) expression (<em>P</em> &lt; 0.01) and reducing the glutamate (Glu)/GABA ratio (<em>P</em> &lt; 0.01). Additionally, the levels of B-cell lymphoma 2 (BCL-2) and interleukin-6 (IL-6) expression were significantly decreased (<em>P</em> &lt; 0.05, 0.01), while interleukin-1 beta (IL-1β) expression increased (<em>P</em> &lt; 0.01). YA treatment also significantly increased gut microbiota abundance and diversity, with microbiome profiles in the YA group being closer than those of diazepam group (DZP) to the control group (CON). Notably, YA reversed the dysbiosis of high-abundance gut microbiota species associated with insomnia at both the family and genus levels (<em>P</em> &lt; 0.05, 0.01). The results of the present study indicated that YA alleviates insomnia symptoms by regulating neurotransmitter and inflammatory cytokines levels, and restoring gut microbia balance. These mechanisms collectively contribute to shortening sleep latency, prolonging sleep duration, and improving sleep quality in a mouse model of insomnia.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116949"},"PeriodicalIF":3.1,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928384","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":"Establish a simple LC-MS/MS method for the determination of MRX-8 by employing dried blood spots in rat pharmacokinetic study","authors":"Xingyi Qu ,&nbsp;Yu Wang ,&nbsp;Chenxue Guo ,&nbsp;Xiaolan Huang ,&nbsp;Beining Guo ,&nbsp;Yan Chen ,&nbsp;Xin Li ,&nbsp;Jing Zhang ,&nbsp;Xiaofen Liu","doi":"10.1016/j.jpba.2025.116943","DOIUrl":"10.1016/j.jpba.2025.116943","url":null,"abstract":"<div><div>The rising prevalence of extensively drug-resistant gram-negative infections necessitates safer polymyxin analogs, as conventional polymyxins are limited by nephrotoxicity and compositional heterogeneity. MRX-8, a next-generation polymyxin B1 derivative engineered to reduce toxicity while maintaining potent antibacterial activity (MIC₉₀ &lt;1 mg/L), demonstrates improved pharmacokinetic/pharmacodynamic (PK/PD) targets. To overcome challenges in preclinical blood sampling volume, we developed a LC-MS/MS method to quantify MRX-8 in dried blood spots (DBS). DBS samples (40 μL blood) collected on Whatman 903® cards were extracted with formic acid-water-acetonitrile (6:64:30, v/v/v) and analyzed using an AB Sciex QTRAP 5500/Shimadzu LC-30A system with MRM transitions at 617.5→155.1 (MRX-8) and 402.3→101.2 (polymyxin B1 internal standard). The method demonstrated linearity (0.0200–10.0 mg/L), precision (3.6–14.1 %), accuracy (87.4–107.8 %), recovery (90.1–102.2 %), and matrix effects (108.1–125.4 %). DBS stability was confirmed under room temperature (3 days), refrigerated (2–8 °C, 7 days), and frozen (-20 °C/-70 °C, 25 days) conditions. Adjusted DBS concentrations incorporating a plasma-blood distribution coefficient (0.59) correlated with plasma pharmacokinetics (R² = 0.976). Compared to conventional plasma sampling, this DBS approach reduces blood volumes and significantly minimizes animal burden. This validated microsampling method provides an ethical and efficient solution for preclinical PK evaluation of MRX-8, accelerating its development as a critical antibacterial therapy against drug-resistant pathogens.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"264 ","pages":"Article 116943"},"PeriodicalIF":3.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143936121","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":"Development of HPLC methodology for quantification of naltrexone and 6β-naltrexol in human plasma and its potential in alcohol use disorder treatment monitoring","authors":"Ceren H. Bozmaoglu ,&nbsp;Kenan Can Tok ,&nbsp;Mustafa Danisman ,&nbsp;H. Sinan Suzen ,&nbsp;Mehmet Gumustas","doi":"10.1016/j.jpba.2025.116944","DOIUrl":"10.1016/j.jpba.2025.116944","url":null,"abstract":"<div><div>Alcohol use disorder remains a significant public health challenge, with pharmacotherapy playing a critical role in treatment. Given the low rates of compliance and persistence in alcohol use disorder pharmacotherapy, the development of robust monitoring methods is essential to improve therapeutic outcomes. This study introduces a novel, environmentally friendly, high-performance liquid chromatography method for simultaneously quantifying naltrexone and its primary metabolite, 6β-naltrexol, in plasma while also reducing sample preparation time and simplifying extraction steps. Notably, it is the first high-sensitivity method in the literature that employs a UV detector, offering a cost-effective and accessible alternative to conventional detection techniques. Chromatographic separation was performed using a Kinetex EVO C18 (150 × 4.6 mm i.d.; 5 µm) column with a mobile phase composed of methanol and 0.1 % ortho-phosphoric acid in water (containing 0.1 % TEA) (20:80, v/v) at a flow rate of 0.4 mL/min. The column oven was set to 15°C, and the detection wavelength was 204 nm. The developed method was validated for selectivity, linearity, limit of detection, limit of quantification, precision, and accuracy in accordance with the guidelines set by the U.S. Food and Drug Administration. The validated method was successfully applied for the simultaneous determination and quantification of naltrexone and 6β-naltrexol in patients diagnosed with alcohol use disorder according to Diagnostic and Statistical Manual of Mental Disorders-5, who are undergoing treatment with naltrexone. This research provides a significant contribution to analytical research and drug monitoring. It enhances efficiency and sustainability in chromatographic analysis.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116944"},"PeriodicalIF":3.1,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908200","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":"Integrated metabolomics and gut microbiota analysis to explore the protective effects of Gushudan on postmenopausal osteoporosis rats via gut-bone axis","authors":"Qinghua Liang ,&nbsp;Hailing Du ,&nbsp;Yajing Wang ,&nbsp;Ying Lai ,&nbsp;Mengxin Ren ,&nbsp;Xiuyan Wei ,&nbsp;Zhili Xiong","doi":"10.1016/j.jpba.2025.116942","DOIUrl":"10.1016/j.jpba.2025.116942","url":null,"abstract":"<div><div>Postmenopausal osteoporosis (PMOP) was caused by significant deviations in gut microbiota and metabolites. Gushudan (GSD), a small traditional Chinese medicine formula, exerted therapeutic effects including kidney-nourishing and bone-strengthening properties. The therapeutic mechanism of GSD in alleviating kidney-yang deficiency syndrome and secondary osteoporosis was systematically investigated through metabolomics and network pharmacology. However, the mechanisms and impact on gut microbiota through which GSD mitigated PMOP remained to be elucidated. In this study, fecal metabolomics was integrated with gut microbiota analysis to comprehensively investigate modification in intestinal flora and metabolic profiles in PMOP rat models from the gut-bone axis framework. Therefore, the GC-MS-based method integrating non-targeted and targeted metabolomics was established to analyze fecal metabolites. The comprehensive analysis of gut microbial communities was performed using 16S rRNA on fecal samples. In the result, 20 potential biomarkers were successfully identified in the non-targeted metabolomics analysis. Subsequently, 12 metabolites related to amino acid metabolism, energy metabolism and bile acid biosynthesis were quantitatively. Then, ten gut microorganisms with significant changes were discovered through 16S rRNA. Furthermore, alterations in fecal metabolites demonstrated a significant correlation with dysbiosis within the gut microorganisms such as <em>[Ruminococcus]_torques_group</em>, <em>Elusimicrobium</em>, <em>Intestinimonas</em> and <em>Papillibacter</em>. GSD effectively modulated abnormal levels of metabolites such as glycine, lactic acid, succinic acid, cholesterol and deoxycholic acid. Specifically, GSD improved the abundance of <em>[Ruminococcus]_torques_group</em>, <em>Elusimicrobium</em>, <em>Intestinimonas</em>. In conclusion, the gut-bone axis was validated as a novel framework, and gut microbiota modulation was further identified as a promising therapeutic target for the prevention of PMOP.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116942"},"PeriodicalIF":3.1,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143912808","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":"Development of a new L-fucose purity certified reference material","authors":"Weizhu Chen ,&nbsp;Hua Fang ,&nbsp;Wenhui Jin ,&nbsp;Hui Chen ,&nbsp;Xiaoyuan Huang ,&nbsp;Zhichao Lin ,&nbsp;Zhuan Hong ,&nbsp;Guozong Shi ,&nbsp;Yiping Zhang","doi":"10.1016/j.jpba.2025.116922","DOIUrl":"10.1016/j.jpba.2025.116922","url":null,"abstract":"<div><div>Certified Reference Materials (CRMs) with high accuracy and metrological traceability play an important role in calibrating equipment and validating analytical methods. L- fucose is a ubiquitous natural a six-carbon sugar that has many promising biological physiological functions. It can be used in medicine, food, healthcare products, cosmetics, and other fields. To accurately determine the content of L-fucose in various samples, a reliable CRM needs to be developed. In this study, an new L-fucose purity CRM was developed based on the ISO principle. The study included structural analysis, characterization, homogeneity test, stability evaluation, and uncertainties estimation. The mass balance (MB) and quantitative proton nuclear magnetic resonance (<em>q</em> ¹H NMR) methods were used for characterizing the CRM. Using the MB method, main component, moisture, and nonvolatile and volatile impurities were measured. the PC of CRM was identified by performing high-performance liquid chromatography coupled with ultraviolet detection (HPLC-UV) using the pre-column derivatization procedure. L-fucose purity CRM was found to be stable for 18 months under ambient temperature conditions, whereas, 30 days at 50 °C. It was adequately homogeneous. At a 95 % confidence level, its certified value was 99.5 ± 1.2 % (<em>k</em> = 2).</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116922"},"PeriodicalIF":3.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928373","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":"Characterization, differentiation, and adulteration detection of peppermint essential oil: An NMR approach","authors":"Jianping Zhao ,&nbsp;Mei Wang ,&nbsp;Joseph Lee ,&nbsp;Zulfiqar Ali ,&nbsp;Ikhlas A. Khan","doi":"10.1016/j.jpba.2025.116941","DOIUrl":"10.1016/j.jpba.2025.116941","url":null,"abstract":"<div><div>Peppermint essential oil (PEO) is a valuable natural product widely used in food, cosmetics, and therapeutics. However, its quality and authenticity are frequently compromised by adulteration and compositional variability. This study explored the application of Nuclear Magnetic Resonance (NMR) technique for the characterization and differentiation of PEO, as well as for the identification of adulterants in commercial PEO samples. Comprehensive analyses of 1D and 2D NMR spectra allowed for the identification of characteristic ¹H NMR signals associated with the key components of PEO, and significant compositional variations between PEOs from different geographical origins were revealed. To facilitate differentiation, a straightforward indicator ratio method was developed to distinguish between PEOs from the United States and India, the two primary production regions. A total of 50 commercial PEO samples were evaluated using NMR in combination with chemometric tools, uncovering a high adulteration rate (42 %). Adulterants, including synthetic chemicals, de-mentholized cornmint oil, and lower-cost oils, were identified. This work demonstrates the potential of NMR as a useful tool for quality assessment and authenticity testing of essential oils. The methodology presented may also be extended to other essential oils to ensure product integrity.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116941"},"PeriodicalIF":3.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916509","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":"Quantitative analysis of trace-level bleomycin in complex matrices: Application to in vitro electrochemotherapy","authors":"Helena Plešnik ,&nbsp;Angelika Vižintin ,&nbsp;Damijan Miklavčič ,&nbsp;Jack Steed ,&nbsp;Jianru Stahl-Zeng ,&nbsp;Tina Kosjek","doi":"10.1016/j.jpba.2025.116927","DOIUrl":"10.1016/j.jpba.2025.116927","url":null,"abstract":"<div><div>Bleomycin, a cytotoxic antibiotic, poses substantial challenges for mass spectrometry-based analysis due to its extreme polarity, chelating properties, heterogeneity of fractions, and propensity to form multiple charged species during electrospray ionization. As one of the few effective drugs used in electrochemotherapy, the ability to quantify trace levels of bleomycin is critical for evaluating treatment efficacy, often requiring sensitivity beyond the capabilities of existing analytical methods. Such precise quantification would facilitate the evaluation of electrochemotherapy efficacy, such as comparing the in vitro effects of nanosecond electric pulses with conventional microsecond pulses. To address these challenges, we integrated cell viability assays with a robust chemical analytical approach. This approach employed solid-phase extraction for sample preparation, combined with HILIC-LC-MS/MS, achieving exceptional sensitivity with LLOQ of 0.075 µg/L and overcoming analyte and matrix complexity. Although a significant reduction in cell survival was confirmed when combining nanosecond pulses (25 × 400 ns) with bleomycin, chemical analysis revealed discrepancies, underscoring the complex interaction between electric pulse parameters and drug action. These findings highlight the need for further refinement of treatment protocols and the development of advanced analytical techniques.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116927"},"PeriodicalIF":3.1,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928377","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":"Rapid detection and quantification of falsified Viagra using cloud-based portable NIR technology and machine learning","authors":"Hervé Rais ,&nbsp;Pierre Esseiva ,&nbsp;Olivier Delémont ,&nbsp;Cédric Schelling ,&nbsp;Stefan Stanojevic ,&nbsp;Serge Rudaz ,&nbsp;Florentin Coppey","doi":"10.1016/j.jpba.2025.116940","DOIUrl":"10.1016/j.jpba.2025.116940","url":null,"abstract":"<div><div>The prevalence of falsified medications remains a global health challenge, intensified by globalization, internet accessibility, and the high profitability associated with low risks for this type of trafficking. This study demonstrates the innovative integration of portable Near-Infrared (NIR) spectroscopy with a cloud-based advanced data processing and management architecture, offering a rapid, non-destructive, and reliable solution for on-site detection and quantification of falsified Viagra tablets. Leveraging the advantages of portable NIR technology—such as its speed, ease of use, and ability to deliver nearly instantaneous results—this approach not only differentiates authentic from falsified tablets but also accurately determines their absolute sildenafil content. Utilizing data from authentic and seized falsified samples, Principal Component Analysis (PCA), Euclidean distance measurements and Support Vector Machine (SVM) highlight the capability of portable NIR devices to effectively distinguish between these groups. Such models can be seamlessly integrated into an online system paired with a mobile application, enhancing accessibility and efficiency in field settings. Furthermore, machine learning models were developed to quantify sildenafil content in falsified tablets, achieving excellent accuracy compared to a reference chromatographic method. These findings underscore the potential of portable NIR spectroscopy, combined with advanced data treatment, as a transformative tool for field deployment, empowering regulatory bodies and healthcare providers to ensure medication quality and safety with greater speed and precision.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"263 ","pages":"Article 116940"},"PeriodicalIF":3.1,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143891606","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}