Journal of pharmaceutical and biomedical analysis最新文献

{"title":"A sensitive method for the profiling of phenyl- and indole-containing metabolites in blood serum and cerebrospinal fluid samples of patients with severe brain damage using ultra-high-pressure liquid chromatography-tandem mass spectrometry","authors":"Pavel D. Sobolev ,&nbsp;Natalia A. Burnakova ,&nbsp;Alexander I. Revelsky ,&nbsp;Vladislav E. Zakharchenko ,&nbsp;Natalia V. Beloborodova ,&nbsp;Alisa K. Pautova","doi":"10.1016/j.jpba.2025.116803","DOIUrl":"10.1016/j.jpba.2025.116803","url":null,"abstract":"<div><div>The metabolic profiling of biological fluids is important in understanding the various biochemical processes in the human body. The content of aromatic metabolites, including microbial ones, in the blood and cerebrospinal fluid, can provide essential information reflecting infectious processes, both systemic and in the central nervous system. A sensitive method with protein precipitation and sample concentration using ultra-high-pressure liquid chromatography-tandem mass spectrometry was proposed and subsequently validated to determine the number of aromatic metabolites of phenylalanine, tyrosine, and tryptophan in the blood serum and cerebrospinal fluid at 2.0–3.7 × 10³ nmol/L. Reference values of 4-hydroxybenzoic, 3-(4-hydroxyphenyl)propionic, and indole-3-carboxylic acids were measured in the blood serum of healthy donors (<em>n</em> = 48). Profile of eleven phenyl- and indole-containing acids was revealed in the serum samples (<em>n</em> = 29) of the patients with long-term sequelae of severe brain damage and in the cerebrospinal fluid samples (<em>n</em> = 29) of the post-neurosurgical patients using different sample preparation methods to measure analytes in a wide (nmol/L and μmol/L) concentration range. Statistically significant differences in concentrations of most analytes were detected in serum samples of patients compared to healthy donors (<em>p</em> ≤ 0.03) and in concentrations of 3-phenyllactic, 3-(4-hydroxyphenyl)lactic, indole-3-lactic, and indole-3-carboxylic acids in cerebrospinal fluid samples of patients with signs of secondary bacterial meningitis compared to those without signs of secondary bacterial meningitis (<em>p</em> ≤ 0.027).</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116803"},"PeriodicalIF":3.1,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620190","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":"Importance of intestinal microflora: Dried toad skin-radix clematidis plasma component analysis and anti-CRC core target study","authors":"Lijun Pan ,&nbsp;Xueyan Wang ,&nbsp;Bing Yang ,&nbsp;Yang Liu ,&nbsp;Dongxin Tang","doi":"10.1016/j.jpba.2025.116802","DOIUrl":"10.1016/j.jpba.2025.116802","url":null,"abstract":"<div><div>The focus of this study is to explore the impact of gut microbiota in different states on the blood components of couplet medications (dried toad skin and radix clematidis) and to identify drug metabolites associated with the gut microbiota. By constructing a pseudo-sterile rat model and combining non-targeted metabolomics with plasma pharmacology, we found that the plasma metabolites of couplet medications underwent significant changes in different gut microbiome environments. The GABA and PGE1 levels in the model group and the model+TCM (traditional chinese medicine) group were both significantly lower than those in the normal+TCM group. When the gut microbiota is imbalanced, drug interventions cannot significantly increase the levels of GABA and PGE1. It further confirmed the correlation between the levels of GABA and PGE1 and the gut microbiota. Based on the results of non-targeted metabolomics, we applied network pharmacology and molecular docking to explore the core targets for colorectal cancer treatment based on gut microbiota. In the end, we identified TNF and PPARG as the two core targets. These research findings provide a possibility for clarifying the molecular mechanisms of couplet medications in the treatment of colorectal cancer. It also laid the foundation for further clarifying the molecular mechanisms of Chanling Paste in the treatment of colorectal cancer.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116802"},"PeriodicalIF":3.1,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143611318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"N-doped graphene quantum dots combined with Ag nanoparticles for luminescence based analytical sensing of gentamycin after solid-phase extraction in a molecularly-imprinted polymer","authors":"Igor A. Pinto ,&nbsp;Carlos A.T. Toloza ,&nbsp;Anna De Falco ,&nbsp;Joseany M.S. Almeida ,&nbsp;Marlin J. Pedrozo-Peñafiel ,&nbsp;Andrea R. da Silva ,&nbsp;Dunieskys G. Larrude ,&nbsp;Ricardo Q. Aucelio","doi":"10.1016/j.jpba.2025.116795","DOIUrl":"10.1016/j.jpba.2025.116795","url":null,"abstract":"<div><div>A luminescence-based method was developed to detect gentamicin using silver nanoparticles (AgNPs) associated with nitrogen-doped graphene quantum dots (N-GQDs). When gentamicin sulfate interacts with the AgNPs/N-GQDs system, the characteristic blue fluorescence of N-GQDs, which had been previously turned off by AgNPs, is restored. Under specific conditions (such as the amount of synthesis dispersion and pH), this AgNPs/N-GQDs probe enabled quantification of gentamicin ranging from 3.0 × 10⁻⁷ to 6.0 × 10⁻⁶ mol L⁻¹. To address interference from other substances during the analysis, a solid-phase extraction, with a kanamycin-imprinted polymer cartridge, enabled accurate results. Two veterinary pharmaceutical samples were used to test the method and results were in agreement with those achieved by obtained using high-performance liquid chromatography with analyte chemical derivatization. This new method is straightforward, sensitive, and selective, and it is also considered eco-friendly (0.63 score Analytical greenness calculator) since it avoids the use of toxic chemical derivatization reagents, use nanoquantities of carbon and silver based nanomaterials and aqueous systems.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116795"},"PeriodicalIF":3.1,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592041","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 sample preparation and analysis method for therapeutic monitoring of diazepam and major metabolite in alcohol withdrawal syndrome treatment","authors":"Kenan Can Tok ,&nbsp;Selin Ozkan-Kotiloglu ,&nbsp;Ceren H. Bozmaoglu ,&nbsp;Mustafa Danisman ,&nbsp;Inci Ozgur-Ilhan ,&nbsp;Dilek Kaya-Akyuzlu ,&nbsp;H. Sinan Suzen ,&nbsp;Mehmet Gumustas","doi":"10.1016/j.jpba.2025.116805","DOIUrl":"10.1016/j.jpba.2025.116805","url":null,"abstract":"<div><div>Diazepam, a widely prescribed benzodiazepine, is frequently used for the management of alcohol withdrawal syndrome, anxiety, seizures, and muscle spasms. Its monitoring is critical due to its potential for abuse and the therapeutic importance of its metabolite nordiazepam. A sustainable and environmentally friendly high-performance liquid chromatography method was developed and validated for the quantification of diazepam and its active metabolite nordiazepam in human plasma samples. The chromatographic analysis was conducted on an HPLC system equipped with a UV detector. Separation was achieved using a Kinetex F5 column (150 ×4.6 mm, 5 µm). The mobile phase consisted of acetonitrile and phosphate buffer adjusted to pH 4.3 (30:70, v/v), delivered in isocratic mode at a flow rate of 1.0 mL/min, with the pH adjusted to optimize resolution. The method demonstrated excellent sensitivity, reproducibility, and linearity for both compounds, highlighting its applicability for drug monitoring and toxicological studies. Moreover, the environmentally conscious selection of materials and conditions underscores the method's compliance with green analytical chemistry principles. Both analytes were successfully detected and quantified in all fifty-three patients under the treatment of alcohol withdrawal syndrome. The measured concentrations of diazepam (0.23–1.4 µg/mL) and its metabolite nordiazepam (0.22–3.78 µg/mL) displayed considerable variability among individuals.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116805"},"PeriodicalIF":3.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592039","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":"Isolation and characterization of a novel oxyphenisatin analogue, 4-Chloro-oxyphenisatin diisobutyrate, from a jelly candy purported to possess weight-loss properties","authors":"Lin Chen ,&nbsp;Han Huang ,&nbsp;Xiali Liu ,&nbsp;Peijing Zhao ,&nbsp;Biao Zhou","doi":"10.1016/j.jpba.2025.116804","DOIUrl":"10.1016/j.jpba.2025.116804","url":null,"abstract":"<div><div>A novel oxyphenisatin analogue was identified in a type of jelly candy during routine inspections of food products marketed for weight-loss purposes. Through analysis utilizing ultra-high-performance quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap-HRMS), the fragment ions at <em>m/z</em> 258 and 195 observed in the MS/MS experiments were found to be consistent with those of 4-Chloro-oxyphenisatin diacetate. It was inferred that the unknown compound is likely a derivative of 4-Chloro-oxyphenisatin diacetate. The candy was separated and purified by column chromatography, and the purified compound was determined to be 96.4 % by high-performance liquid chromatography (HPLC). Subsequently, the structure was confirmed through nuclear magnetic resonance (NMR) spectroscopy. Based on the data, it was concluded that the structure of the unknown compound involved the substitution of two symmetrical acetyl groups in the 4-chloro-oxyphenisatin diacetate molecule with two isobutyl groups. Ultimately, the novel oxyphenisatin analogue was identified as (5-chloro-2-oxoindolin-3,3-ylidene) bis (4,1-phenylbutan-2-yl) diisobutyrate and designated as 4-Chloro-oxyphenisatin diisobutyrate. Finally, a quantitative analysis of the novel unknown compound in the jelly candy revealed a concentration of 6 mg per pellet. Based on the recommended daily consumption of one pellet, as indicated on the product packaging, the level of illegal additives may lead to diarrhoea and consequently poses a risk to human health. To the best of our knowledge, this represents the first report on the identification of 4-Chloro-oxyphenisatin diisobutyrate.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116804"},"PeriodicalIF":3.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580780","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":"Yi-qi-yang-yin decoction ameliorates diabetic retinopathy: New and comprehensive evidence from network pharmacology, machine learning, molecular docking and molecular biology experiment","authors":"De-lian Huang ,&nbsp;Si-wei Wang ,&nbsp;Yuan Gao ,&nbsp;Yan-jun Hu ,&nbsp;Xi-xi Zeng ,&nbsp;Shi-yu Liu ,&nbsp;Ping Li ,&nbsp;Tian Lan ,&nbsp;Qing Shen ,&nbsp;Yu-hua Tong ,&nbsp;De-xing Kong ,&nbsp;Zhu-jun Mao","doi":"10.1016/j.jpba.2025.116794","DOIUrl":"10.1016/j.jpba.2025.116794","url":null,"abstract":"<div><div>Yi-Qi-Yang-Yin Decoction (YQYY), a traditional Chinese medicine (TCM) formula, has been used to treat diabetic retinopathy (DR), yet its precise mechanisms of action remain poorly understood. In this study, two distinct diabetic models, namely spontaneous type 2 diabetic <em>db/db</em> mice and streptozotocin (STZ)-induced type 1 diabetic rats, were employed to assess the efficacy of YQYY in ameliorating DR. Ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) was employed to identify the chemical composition of YQYY in mouse serum. Next, the possible targets and key pathways of YQYY for the management of DR were predicted by integrating network pharmacology and weighted gene co-expression network analysis (WGCNA). Network-based indicators were then employed to evaluate the efficacy of the formulae on DR, and molecular docking, along with compound similarity analysis, was used to identify candidate drugs of YQYY for DR. Finally, molecular biology techniques were utilized to experimentally validate the identified targets. Experimental results from animal models showed that YQYY effectively improved hemoglobin A1C (HbA1C), reduced vessel branch points, and mitigated retinal tissue injury in both DR models. 17 herbal components were identified in the YQYY-containing serum by UPLC-QTOF-MS. Network pharmacology predicted 44 common targets of YQYY involved in the regulation of DR. These targets were found to mainly participate in inflammation-related signaling pathways, including the NF-κB signaling pathway, toll-like receptor signaling pathway, IL-17 signaling pathway, and TNF signaling pathway. By integrating the most relevant disease templates for DR with network pharmacology, we preliminarily identified two key functions of YQYY and their associated regulatory targets, which showed strong connections and correlations with the targets identified in the screened DR disease models. These results demonstrate the pivotal role of core targets, such as BAX, BCL2, MMP9, SIRT1, PPARγ, VCAM1, PTGS2, TNF-α, and RELA, in mediating the therapeutic effects of YQYY in managing DR. Network analysis of YQYY efficacy in DR revealed a significant correlation between the YQYY targets and DR-related genes. Furthermore, molecular docking and drug similarity comparisons suggested that kaempferol, formononetin, and caffeic acid show potential as therapeutic candidates for DR. Our investigation demonstrated the therapeutic efficacy of YQYY against DR, shedding light on novel perspectives regarding the active constituents and molecular pathways through which YQYY exerts its effects in managing DR.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116794"},"PeriodicalIF":3.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620246","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 predictive metabolomic model for FLT3 and NPM1 mutations in Acute Myeloid Leukemia patients","authors":"Selin Gerekci̇ Yeşi̇lyurt ,&nbsp;Derya Koyun ,&nbsp;Selami Koçak Toprak ,&nbsp;Muhit Özcan ,&nbsp;Can Özen","doi":"10.1016/j.jpba.2025.116789","DOIUrl":"10.1016/j.jpba.2025.116789","url":null,"abstract":"<div><div>Cytogenetic abnormalities and gene mutations are essential for planning AML treatment. However, in Turkey, test results typically take 14–30 days. This delay emphasizes a critical need for rapid methods to deliver clinical data in urgent cases requiring immediate treatment decisions. To address this need, our objective was to develop a quick prediction method for NPM1 (Nucleophosmin-1) and FLT3 (FMS-like tyrosine kinase 3) mutations using LC-MS/MS (Liquid Chromatography-Tandem Mass Spectrometry) targeted metabolomics to detect these common and clinically important mutations in <em>de novo</em> AML patients (n = 42) through patient groups and a healthy group. We analyzed metabolic patterns using LC-MS/MS measurements of amino acids and acyl carnitines, key components critical to AML prognosis. The data were then subjected to multivariate analysis techniques. Principal Component Analysis (PCA) revealed that the model explained 79 % of the total variance among the sample groups. To further enhance class discrimination, we conducted Partial Least Squares-Discriminant Analysis (PLS-DA), resulting in R2Y and Q2 values of 0.845 and 0.619, respectively. Using the PLS-DA model, VIP (Variable Importance Projection) identified key metabolites with scores &gt; 1.5, including C0 carnitine, glutamic acid, aspartic acid, tryptophan, histidine, isoleucine, and alpha-aminobutyric acid, respectively, highlighting their potential significance in distinguishing mutation groups. To ensure the validity of the PLS-DA model and evaluate potential overestimation, we validated the model using cross-validation and permutation test, demonstrating its robustness and reliability. Our preliminary model, developed through a targeted metabolomics approach, shows strong fit and predictive capability in determining the mutation status of NPM1 and FLT3 in AML patients.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116789"},"PeriodicalIF":3.1,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143601452","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":"An efficient approach to probe bioactive components of herbal patches by 2D-carbon microfiber fractionation and multi-chamber membrane separation electrophoresis: Spatholobus suberectus Dunn as a case","authors":"Lei Yang ,&nbsp;Haiyan Cui ,&nbsp;Meiyu Cui ,&nbsp;Yu Qiu ,&nbsp;Miao Shao ,&nbsp;Yuwei Zhu ,&nbsp;Yonglong Liu ,&nbsp;Donatella Nardiello ,&nbsp;Maurizio Quinto ,&nbsp;Hai-Bo Shang ,&nbsp;Huwei Liu ,&nbsp;Donghao Li","doi":"10.1016/j.jpba.2025.116791","DOIUrl":"10.1016/j.jpba.2025.116791","url":null,"abstract":"<div><div>Herbal patches are widely used in clinics for their good curative effects. However, due to the complexity of plant matrices and the extremely low content of transdermal components, the individuation of their effective bioactive compounds represents a challenge: there is then a great need for an efficient method to reveal the bioactive ingredients of herbal patches. In this work, a wide-screening approach is proposed to an individuation of transdermal bioactive components in herbal patches obtained by <em>Spatholobus suberectus</em> Dunn (<em>S. suberectus</em>). Using a two-dimensional microscale carbon fiber/active carbon fiber system combined with a quadrupole time-of-flight high-resolution mass spectrometry (2DµCFs-QTOF-HRMS), a rapid and comprehensive analysis, lasting only 5 min, allowed the identification of 45 distinct polar components within <em>S. suberectus</em> extracts. Among these, 30 components exhibited a transdermal penetration estimated at values higher than 10 %. The key target, predicted by bioinformatics, was prostaglandin-endoperoxide synthase 2 (PTGS2). From the transdermal components of <em>S. suberectus,</em> four potential inhibitors of PTGS2 (protocatechuic acid, isoliquiritigenin, medicarpin, and catechin) were screened by multi-chamber membrane separation electrophoresis (MCMSE). The presence of binding pockets and action sites for medicarpin, isoliquiritigenin, and catechin determines higher binding energy towards PTGS2, with lower IC₅₀ values (12.27, 9.08, and 41.68 μM, respectively). The high-throughput and high-sensitivity analysis by 2DµCFs-QTOF-HRMS, combined with a high-accuracy screening of MCMSE, provides strong technical support for the discovery of trace transdermal bioactive components of herbal patches. The integration of the two technologies could accelerate the study of action mechanisms, quality control, and product improvement of herbal patches.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116791"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592043","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":"Network analysis and experimental validation analysis reveal the mechanism by which psoralen improves glucocorticoid-induced growth retardation","authors":"Wenxiang Zeng ,&nbsp;Ying Zhao ,&nbsp;Qingyu Tu ,&nbsp;Xin Chen ,&nbsp;Shiqiao He ,&nbsp;Wenla Wang ,&nbsp;Zhenwei Wang ,&nbsp;Limeng Yang ,&nbsp;Weibin Du ,&nbsp;Wei Zhuang","doi":"10.1016/j.jpba.2025.116801","DOIUrl":"10.1016/j.jpba.2025.116801","url":null,"abstract":"<div><div>Glucocorticoids (GCs) are widely used, particularly concerning in pediatric patients. GC-induced growth retardation (GIGR) is one of its significant side effects. Endochondral ossification of growth plate chondrocytes is crucial for skeletal growth in children; excessive GCs inhibit growth plate development and longitudinal bone growth. Previous studies have shown that psoralen (PSO) has anti-osteoporotic effects, preserves cartilage homeostasis, and enhances chondrocyte proliferation. However, the specific mechanisms remain unclear. This study used network pharmacology and molecular docking to identify targets, followed by experimental validation to investigate how PSO affects damage to GC-induced growth plate chondrocytes. Results show that the PSO group exhibited significant increases in femoral length and growth plate size compared to the model group in rats. Additionally, testicular weight significantly increased in the PSO group compared to the model group. In vitro experiments demonstrated that PSO enhances proliferation and maintains cellular homeostasis in growth plate chondrocytes. Furthermore, experiments employing Western blotting, immunofluorescence, and other methods confirmed increased PI3K/AKT pathway activity, as well as elevated expression of cartilage-related proteins and reduced apoptotic proteins. Through network pharmacology, molecular docking, and experimental validation, we found that PSO stabilizes growth plate cell homeostasis and promotes cell proliferation by activating the PI3K/AKT signaling pathway. Therefore, PSO may be a potential therapeutic agent for improving GC-induced GIGR.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116801"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New insights into the analysis of faradiol esters and related compounds in Calendula","authors":"Benno F. Zimmermann,&nbsp;Esther Häberle","doi":"10.1016/j.jpba.2025.116792","DOIUrl":"10.1016/j.jpba.2025.116792","url":null,"abstract":"<div><div>In this study, the analysis of pentacyclic triterpenediol esters (e.g., faradiol esters) in <em>Calendula officinalis</em> (marigold) flowers by RP-HPLC-UV and RP-UHPLC-UV-MS² is discussed. The removal of carotenoids before HPLC-UV analysis has always been considered essential. However, this study demonstrates that this is unnecessary as the carotenoids do not interfere with the primary faradiol esters and the related compounds in the HPLC-UV chromatogram. Previously identified esters include the laurates, myristates and palmitates of faradiol and of three of its isomers (e.g., arnidiol, maniladiol and calenduladiol). This study tentatively identifies novel butyrates, caproates, caprylates, caprates, stearates, palmitoleates and oleates of faradiol and its isomers. These tentative identifications were performed using UHPLC coupled with triple quadrupole mass spectrometry (MS) through in-source fragments, product ion spectra (MS²) and parent ion spectra. Moreover, the product ion spectra of the faradiol isomers were compared. While similarities exist, some isomers were distinguishable.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"260 ","pages":"Article 116792"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143687077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}