Journal of pharmaceutical and biomedical analysis最新文献

{"title":"Multi-omics analysis of placental metabolomics and transcriptomics datasets reveals comprehensive insights into the pathophysiology of preeclampsia","authors":"Akın Mumcu ,&nbsp;Erdinç Sarıdoğan ,&nbsp;Senem Arda Düz ,&nbsp;Görkem Tuncay ,&nbsp;Ali Erdoğan ,&nbsp;Kadri Karaer ,&nbsp;Taylan Onat ,&nbsp;Abdullah Karaer ,&nbsp;Berat Doğan","doi":"10.1016/j.jpba.2025.116701","DOIUrl":"10.1016/j.jpba.2025.116701","url":null,"abstract":"<div><div>Preeclampsia, a life-threatening pregnancy complication, remains a major global health concern. Understanding the complex molecular mechanisms underlying this disorder is crucial for improving both diagnostics and therapeutic strategies. In this study, a multi-omics approach based on NMR metabolomics and RNA-seq transcriptomics analyses was conducted to analyze placental tissue samples obtained from patients with preeclampsia and healthy controls. Metabolomics data analysis results indicated alterations in several metabolite levels including lactate, myo-inositol, glutamate, glutamine, valine, leucine, isoleucine, creatinine, alanine, taurine, choline, phosphocholine, glycerophosphocholine, ethanolamine, and dihydroxyacetone. These alterations cause significant disruptions in the Krebs cycle, energy, lipid, and amino acid metabolisms. Concurrently, transcriptomics data analysis identified 10 upregulated and 37 downregulated genes (|log2FC= &gt; 1 and padj &lt; 0.05) in preeclampsia patients. Identified genes were linked to critical roles such as vasoconstriction, angiogenesis, inflammation, hormonal balance, oxidative stress, and collagen integrity. Multi-omics data analysis revealed the association of certain metabolites with several other genes. A gene interaction network formed by these genes resulted in a lower protein-protein interaction enrichment value (p-value &lt; 1e-16) compared to the network formed with the differentially expressed genes (p-value = 0.0183) which suggests the importance of considering multiple omics levels for a comprehensive understanding of the disease.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"256 ","pages":"Article 116701"},"PeriodicalIF":3.1,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066169","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 and accurate metabolite identification of traditional Chinese medicine based on UPLC-Q-TOF-MS coupled with UNIFI analysis platform and quantitative structure-retention relationship: Danshen-Honghua herbal pair as an example","authors":"Zhaoyu Chen ,&nbsp;Ziyi Lin ,&nbsp;Haofang Wan ,&nbsp;Chang Li ,&nbsp;Weifeng Jin ,&nbsp;Haitong Wan ,&nbsp;Yu He","doi":"10.1016/j.jpba.2025.116696","DOIUrl":"10.1016/j.jpba.2025.116696","url":null,"abstract":"<div><div>In recent years, metabolite identification of chemical constituents of traditional Chinese medicine (TCM) has been extensively studied. However, due to the intricacy of metabolic processes and the low concentration of metabolites, identifying metabolites of TCM <em>in vivo</em> is still a tough work. Meanwhile, credibility of metabolite identification through mass spectrum technology has been called into question by reason of the lack of metabolite standards. In this study, ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS) was used to detect biological samples including plasma, feces, urine, liver, kidney, brain of normal and middle cerebral artery occlusion (MCAO) rats orally administrated water extract of Danshen-Honghua herbal pair (DHHP). An analysis strategy which combined MS data analysis platform UNIFI with quantitative structure-retention relationship (QSRR) model was established. First, metabolites of DHHP were identified rapidly by utilizing UNIFI analysis platform to analyze acquired MS data. Then, quantitative structure-retention relationships model was built through BP neural network optimized by the ant colony algorithm. Finally, predicted retention times of identified metabolites were produced by QSRR model. Metabolites identified by UNIFI whose difference between predicted and experimental retention time was beyond 1 min were considered false positive and excluded to improve the credibility of identification. According to the established analysis strategy, 26 prototypes and 16 metabolites were identified. Established MS data analysis strategy which combined UNIFI analysis platform with QSRR model was proven to be a creditable method to identify the <em>in vivo</em> metabolites of TCM rapidly and accurately.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"257 ","pages":"Article 116696"},"PeriodicalIF":3.1,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066301","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":"Reprogramming of lipids and amino acids metabolism is an early event in myocardium of type 1 diabetic rhesus monkeys","authors":"Min Zhu ,&nbsp;Wen Liu ,&nbsp;Shan Su ,&nbsp;Meng Gong ,&nbsp;Guangneng Liao ,&nbsp;Fudong Fu ,&nbsp;Gen Chen ,&nbsp;Zhiyong Rao ,&nbsp;Jingqiu Cheng ,&nbsp;Jingping Liu ,&nbsp;Yanrong Lu ,&nbsp;Younan Chen","doi":"10.1016/j.jpba.2025.116699","DOIUrl":"10.1016/j.jpba.2025.116699","url":null,"abstract":"<div><div>Diabetic cardiomyopathy (DC) refers to the abnormal myocardial structure and performance induced by diabetes. Although numerous studies have been carried out, the pathophysiological mechanisms of cardiovascular disorders during diabetes have not been fully clarified. Here, we compared the cardiomyopathy of healthy rhesus monkeys and rhesus monkeys with a history of streptozocin induced type 1 diabetes (T1D) over 7 years. Through comparing the cardiac function using echocardiography, and detecting the serum biochemical indexes, and changes of left ventricle (LV), we found that decreased systolic function, higher blood glycosylated hemoglobin A1c (HbA1_C) level, hyperglycemia, and hyperlipidemia were early events in diabetic rhesus monkeys. In addition, cardiac histological analysis showed mildly fibrosis and early myocardial hypertrophy, as evidenced by increased Sirius red stained area and cross-sectional area of left ventricle. Transcriptome results revealed that the nutrients metabolism and extracellular matrix related pathways were markedly changed in the left ventricle of diabetic monkeys. Targeted metabolomics and targeted lipid metabolomics further revealed that disturbed amino acid metabolism and lipid accumulation in the LV of diabetic monkeys manifested by accumulated branched chain amino acids (BCAAs) and triglycerides (TAGs), and reduced contents of sphingolipids, glycerophospholipids, cholesteryl esters and carnitines. In conclusion, we reported here for the first time that diabetes lasting for more than 7 years leads to some early pathological changes of myocardium in rhesus monkeys. The cardiac function is mildly compromised and the reprogramming of lipids and amino acids metabolism might play important roles in the progression of DC.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"258 ","pages":"Article 116699"},"PeriodicalIF":3.1,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143180456","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":"DNAzyme approach for simultaneous mRNA cap and poly(A) tail length analysis: A one-step method to multiple quality attributes","authors":"Ying Wang ,&nbsp;Li Li ,&nbsp;John Kong ,&nbsp;Ravikiran Yerabolu ,&nbsp;Kari Hullen ,&nbsp;Kaixi Zhao ,&nbsp;Emily Wen ,&nbsp;Matthew J. Gunsch ,&nbsp;David Foley ,&nbsp;Yu He","doi":"10.1016/j.jpba.2025.116695","DOIUrl":"10.1016/j.jpba.2025.116695","url":null,"abstract":"<div><div>The dynamic landscape of mRNA technology highlights the need for innovative quality control (QC) strategies. In this study, we described an efficient one-step digestion approach for concurrent generation of 5’- and 3’-end fragments, enabling simultaneous mRNA capping and poly(A) tail analysis. Tailored 10–23-type DNAzymes, designed from 5’- and 3’-Untranslated Regions (UTRs), selectively cleaved mRNA to release both the 5’-Capped or uncapped short fragments and 3’-Poly(A) tail cleavage products. Polyacrylamide gel electrophoresis (PAGE) and ion pair reversed-phase liquid chromatography (IP-RP LC) analyses confirmed the production of 5’- and 3’-cleavage fragments in a single-step reaction, and LC-mass spectrometry (LC MS) validated these findings. The DNAzyme-mediated cleavage offers notable advantages over other assays for mRNA cap and tail characterization. Direct and simultaneous analysis of both capping efficiency and poly(A) tail length post-cleavage by DNAzymes, without additional purification steps and costly MS analysis, markedly streamlines the sample preparation and analysis process, making it highly suitable for QC testing.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"257 ","pages":"Article 116695"},"PeriodicalIF":3.1,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066224","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":"Simultaneous determination of busulfan, fludarabine, phenytoin, and posaconazole in plasma from patients undergoing hematopoietic stem cell transplantation","authors":"Xijuan Jiang ,&nbsp;Jia Liu ,&nbsp;Xuan Feng ,&nbsp;Weijing Ding ,&nbsp;Yu Han ,&nbsp;Yabin Qin ,&nbsp;Yile Zhao","doi":"10.1016/j.jpba.2025.116683","DOIUrl":"10.1016/j.jpba.2025.116683","url":null,"abstract":"<div><div>A simple, fast, sample-saving, and sensitive liquid chromatography-tandem mass spectrometry method was established with a linear range adjusted by in-source collision-induced dissociation. Notably, this could simultaneously determine busulfan, fludarabine, phenytoin, and posaconazole in plasma from children, each having unique physical and chemical properties. The procedure necessitated only 20 μL of plasma and involved a simple protein precipitation process. Chromatographic separation was accomplished on a reversed-phase column (C18, 50 × 2.1 mm, 2.6 μm) through gradient elution utilizing water (containing 0.1 % formic acid and 2 mM ammonium acetate) and acetonitrile (containing 0.1 % formic acid) as the mobile phase. An injection volume of 2 μL was utilized, with a total run time of 3.6 min. Mass spectrum acquisition was performed on a Triple Quad™ 4500MD tandem mass spectrometer with an electrospray ionization source in positive mode. Moreover, in-source collision-induced dissociation was used to adjust the linear range of phenytoin due to its excessive response. The calibration curves ranged from 20 to 2560 ng/mL for busulfan, 10–1280 ng/mL for fludarabine, 0.4–51.2 μg/mL for phenytoin, and 0.1–12.8 μg/mL for posaconazole, with mean <em>r</em>² greater than 0.997. In addition, the method underwent rigorous validation following the European Medicines Agency guidelines, demonstrating exceptional accuracy (90.5 %–106.7 %) and precision (2.0 %–13.0 %). Furthermore, its applicability to atypical matrices, including hemolytic and hyperlipidemic plasma, was thoroughly assessed. As such, this approach was effectively utilized for the therapeutic drug monitoring of busulfan, fludarabine, phenytoin, and posaconazole for children undergoing hematopoietic stem cell transplantation.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"257 ","pages":"Article 116683"},"PeriodicalIF":3.1,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143047034","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":"Enhanced bile acid detection and analysis in liver fibrosis with pseudo-targeted metabolomics","authors":"Zhizhi Hu,&nbsp;Jiaojiao Wei,&nbsp;Kua Dong,&nbsp;Linnan Li,&nbsp;Aizhen Xiong,&nbsp;Li Yang,&nbsp;Zhengtao Wang","doi":"10.1016/j.jpba.2025.116668","DOIUrl":"10.1016/j.jpba.2025.116668","url":null,"abstract":"<div><div>Bile acids (BAs) are essential signaling molecules that engage in host and gut microbial metabolism, playing a crucial role in maintaining organismal stability. Liquid chromatography-mass spectrometry (LC-MS) is a widely employed technique for metabolite analysis in biological samples due to its high sensitivity, excellent specificity, and low detection limits. This method has emerged as the mainstream approach for the detection and analysis of BAs. Pseudo-targeted analysis combines the advantages of both untargeted and targeted metabolomics methodologies. In this study, we developed a comprehensive and rapid method for detecting and analyzing BAs using LC-MS technology, applied to liver samples from bile duct-ligated (BDL) mice exhibiting liver fibrosis. A self-constructed database containing 488 BAs was established, and raw data from universal metabolome standard (UMS) were acquired using UHPLC-Q/TOF-MS. A total of 172 BA compounds were characterized, including 74 free BAs and 158 BAs were successfully detected using the high-coverage assay established with UHPLC-QQQ-MS. This assay was employed in the BDL liver fibrosis mouse model, where statistical analysis tools identified 20 differential BAs in the livers of affected mice. The development of this rapid method signifies a substantial advancement in the field, illustrating its utility in identifying differential BAs and enhancing our understanding of liver fibrosis. Furthermore, the high-coverage assay's ability to accurately analyze a diverse range of BAs could substantially aid in diagnosing and treating liver diseases.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"257 ","pages":"Article 116668"},"PeriodicalIF":3.1,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066289","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 and untargeted urinary metabolomics of alkaptonuria patients using ultra high-performance liquid chromatography-tandem mass spectrometry","authors":"Kristian Serafimov ,&nbsp;Johanna Ruth Tischlarik ,&nbsp;Michael Lämmerhofer","doi":"10.1016/j.jpba.2025.116684","DOIUrl":"10.1016/j.jpba.2025.116684","url":null,"abstract":"<div><div>Alkaptonuria (AKU) is a rare autosomal-recessive disease which is characterized through black urine and ochronosis. It is caused by deficiency of the enzyme Homogentisate 1,2-dioxygenase in the Phenylalanine/Tyrosine degradation pathway which leads to the accumulation of Homogentisic acid (HGA). Urine was provided by AKU patients and healthy controls. Several different methods were developed in this study each with a specific goal. Firstly, a simple and inexpensive RP-UHPLC-UV method for routine monitoring of HGA as a key metabolite employing a Phenylhexyl stationary phase chemistry. Validation was performed in accordance to FDA guidelines and method selectivity was further evaluated via on-line high-resolution sampling 2D-LC-QToF-MS, coupling the Phenylhexyl phase in the first dimension with a C18 phase in the second dimension. Secondly, a targeted and accurate RP-UHPLC-MRM-QTRAP assay, providing quantitative analysis of the relevant pathway metabolites based on a Phenylhexyl stationary phase, and lastly an untargeted HILIC-UHPLC-QToF-MS/MS method with SWATH (sequential window acquisition of all theoretical mass spectra) acquisition employing a sulfobetaine-type HILIC-Z superficially porous particle column, with the aim of uncovering more details about the metabolic profile of this genetic disorder. By untargeted analysis 204 metabolites could be detected and annotated in positive and negative ESI mode in total. Two separate LC methods were employed, differing in their conditions depending on the ionization mode (20 mM ammonium formate as buffer additive adjusted to a pH = 3.5 with formic acid in ESI⁺ mode and 20 mM ammonium acetate adjusted to a pH = 7.5 with acetic acid in ESI^- mode). By effectively combining the aforementioned methods, a comprehensive workflow was developed, allowing the effective analysis of both patient and control urine samples.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"256 ","pages":"Article 116684"},"PeriodicalIF":3.1,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143023628","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":"Revealing the therapeutic targets, mechanisms, and heterogeneity of Huatan Jieyu Granules for Parkinson's disease through single-cell sequencing","authors":"Sijia Zhu ,&nbsp;Meijun Liu ,&nbsp;Shiyu Han ,&nbsp;Jingyi Zhu,&nbsp;Xinmin Deng,&nbsp;Yanyan Tian,&nbsp;Dongdong Yang","doi":"10.1016/j.jpba.2025.116679","DOIUrl":"10.1016/j.jpba.2025.116679","url":null,"abstract":"<div><h3>Background</h3><div>The incidence of Parkinson's disease (PD) increases with age. Previous pharmacological studies have shown the potential of Huatan Jieyu Granules (HGs) for the treatment of PD, but the exact mechanisms remain unclear. This study aimed to explore the effects of herbal treatment on PD using mouse models and single-cell sequencing.</div></div><div><h3>Methods</h3><div>In this study, we established in vivo 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-induced PD models in mice. Motor function was assessed through behavioral tests. Immunofluorescence was used to examine dopaminergic neuron loss. Single-cell sequencing was performed on mice from the blank, PD model and medication groups. After quality control and dimensionality reduction of the single-cell data, cells were clustered, and different cell types were identified. We then identified the intersection of differentially expressed genes (DEGs1) in the blank and model groups and DEGs2 in the model and medication groups, yielding intersected DEGs. Key drug targets were identified by intersecting these DEGs with the drug targets of active ingredients in TCM. Topological analysis of the PPI network was used to identify key genes. Cell types exhibiting high expression of these genes were designated as key cells. These key cells were subjected to cellular communication analysis and temporal analysis, after which they were classified into subtypes.</div></div><div><h3>Results</h3><div>HGs significantly improved motor function and prevented dopaminergic neuronal loss in the substantia nigra (SN) of MPTP-treated mice. A total of 34 cell clusters were delineated, with 9 cell types identified, including oligodendrocytes (oligo), neurons, and T cells. We identified 758 intersected DEGs and 13 key drug targets, including Egfr, Ntrk2, Grm5, Htr2c, Bcl2l1. Oligo and neuronal cells were identified as key cells due to higher expression levels of these key genes. In the cellular communication analysis, oligo-neuronal interactions in the blank and model groups, and oligo-OPC and oligo-T cell interactions in the medication group, exhibited the most receptor-ligand interactions. In temporal analysis, both oligo and neuronal cells were differentiated into 9 states, with C1 being the most differentiated.</div></div><div><h3>Conclusion</h3><div>HGs demonstrate neuroprotective effects in MPTP-treated mice. Using single-cell sequencing, we identified five key genes (Egfr, Ntrk2, Grm5, Htr2c, Bcl2l1) and two key cell types (oligo and neuronal) related to HGs in PD. These findings provided a foundation for understanding the molecular mechanisms by which HGs treat PD.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"257 ","pages":"Article 116679"},"PeriodicalIF":3.1,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143047033","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":"Gastrointestinal motility modulation efficacy-related chemical marker findings and QAMS-based quality control of Agastache rugosa","authors":"Guo-Zhen Jiang ,&nbsp;Zhen-Yue Ma ,&nbsp;Hui-Dan Hou ,&nbsp;Jing Zhou ,&nbsp;Fang Long ,&nbsp;Jin-Di Xu ,&nbsp;Shan-Shan Zhou ,&nbsp;Hong Shen ,&nbsp;Qian Mao ,&nbsp;Song-Lin Li ,&nbsp;Cheng-Ying Wu","doi":"10.1016/j.jpba.2025.116680","DOIUrl":"10.1016/j.jpba.2025.116680","url":null,"abstract":"<div><div><em>Agastache rugosa</em> (AR), a traditional edible and medicinal herb, is often used for treating gastrointestinal (GI) motility disorder. But little effort has been done on its gastrointestinal motility modulation (GMM) efficacy-related components and quality control of AR. In this study, a novel strategy was proposed to find GMM efficacy-related chemical markers for the quality control of AR. Firstly, network pharmacology and serum pharmacochemistry were applied to predict potential GMM efficacy-related marker components. Secondly, the GMM efficacy-related marker components were verified through literature matching, target isolation/identification and activity evaluation. Lastly, a quantitative analysis of multiple components by a single marker (QAMS)-based method for simultaneous quantification of marker components was established and validated by HPLC–DAD. The results showed that nine components in AR were screened as potential GMM related components, five of which (rosmarinic acid, tilianin, apigenin, acacetin, and cirsimaritin) were matched by literatures, and four (acacetin-7-<em>O</em>-(6''-<em>O</em>-malonyl)-<em>β</em>-D-glucopyranoside, agastachoside, acacetin-7-<em>O</em>-(2''-<em>O</em>-acetyl-6''-<em>O</em>-malonyl)-<em>β</em>-D-glucopyranoside, and isoagastachoside) were chemically identified and newly evaluated on zebrafish model. The nine components were used as marker compounds to develop an effective QAMS-based method for the quantitative evaluation of 26 batches of commercial AR samples.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"256 ","pages":"Article 116680"},"PeriodicalIF":3.1,"publicationDate":"2025-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143039550","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":"Chemometric tools to comprehend a recovery process for the bioactive ingredients from purple basil (Ocimum basilicum L.): Box-Behnken design-based optimization and principal component analysis","authors":"İrem Toprakçı,&nbsp;Ebru Kurtulbaş,&nbsp;Selin Şahin","doi":"10.1016/j.jpba.2025.116676","DOIUrl":"10.1016/j.jpba.2025.116676","url":null,"abstract":"<div><div>Medicinal and aromatic plants are alternative products to synthetics because of their antioxidant, antimicrobial, anti-inflammatory and antidiabetic effects. The objective of this study is to investigate the automated solvent extraction (ASE) process parameters for the extraction of bioactive-rich substances from purple basil (<em>Ocimum basilicum</em> L.). Process optimization in relation to total phenolic content (TPC), total flavonoid content (TFC), and total anthocyanin content (TAC) was performed through a chemometric approach. The ASE system was designed, modelled and optimized by 3-factor and 3-level Box-Behnken design of Response Surface method (RSM). Antioxidant activity of the samples were measured by 2 different free radical scavenging activity assays (ABTS and DPPH). By using principal component analysis (PCA) to the dataset, the impact of interactions between the parameters was also evaluated according to their antioxidant activity, TPC, TFC and TAC levels. The optimal ASE conditions (0.3 g of purple basil, 19 min of immersion time and 66 % ethanol solution) provided the highest yields of TPC (98.888 mg-GAE/g-DM), TFC (27.033 mg-CE/g-DM) and TAC (11.556 mg-C3G/g-DM), which were verified by satisfactory validation findings (the error&lt;2 %).</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"256 ","pages":"Article 116676"},"PeriodicalIF":3.1,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143039549","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}