Journal of separation science最新文献

筛选
英文 中文
Determination of Lysozyme in Egg White Using Molecularly Imprinted Polymer Coated Capillary by Capillary Electrophoresis 分子印迹聚合物包膜毛细管电泳法测定蛋清中的溶菌酶。
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-29 DOI: 10.1002/jssc.70284
Yunhan Gong, Yuchen Wang, Liangyu Zhu, Guilan Miao, Qianyun Fan, Bin Lu, Lijuan Chen, Yanmei Wang
{"title":"Determination of Lysozyme in Egg White Using Molecularly Imprinted Polymer Coated Capillary by Capillary Electrophoresis","authors":"Yunhan Gong,&nbsp;Yuchen Wang,&nbsp;Liangyu Zhu,&nbsp;Guilan Miao,&nbsp;Qianyun Fan,&nbsp;Bin Lu,&nbsp;Lijuan Chen,&nbsp;Yanmei Wang","doi":"10.1002/jssc.70284","DOIUrl":"10.1002/jssc.70284","url":null,"abstract":"<div>\u0000 \u0000 <p>This work aims to develop a capillary based on molecularly imprinted polymer coating for the on-line preconcentration and selective determination of lysozyme in egg white, combining the template immobilization strategy, surface imprinting approach, and post-imprinting modification strategy by using capillary electrophoresis. First, the capillary was coated with polydopamine and then the 3-mercaptopropionic acid coating was formed through self-assembly for subsequent immobilization of template lysozyme. Afterward, the surface-imprinted polydopamine coating was fabricated by the self-polymerization of dopamine as a functional monomer and cross-linker. After that, partially hydrolyzed poly(2-methyl-2-oxazoline), which possesses the protein-resistant adsorption ability, was introduced to reduce the nonspecific adsorption of the polydopamine coating. Finally, lysozyme molecularly imprinted polymer coated capillaries were obtained after lysozyme was eluted. The created coating was characterized by electroosmotic flow mobility measurements, scanning electron microscope, static water contact angle, and attenuated total reflection Fourier-transform infrared spectrum. Lysozyme standard solutions (concentration from 0.5 to 10.0 ng/mL) were analyzed using the fabricated capillary, achieving the detection limit of 0.1 ng/mL. In addition, the accuracy, repeatability, reproducibility, and selectivity of the prepared capillary were investigated. The recovery values of lysozyme gained were from 96.0% to 98.7% for hen egg white samples using the developed capillary.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 10","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Use of Single or Serially Coupled Columns and the Effect of Organic Modifier for the Separation of Constitutional Isomers of the Synthetic Cannabinoid JWH 018 单柱或串联柱对合成大麻素jwh018组成异构体分离的影响及有机修饰剂的作用。
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-29 DOI: 10.1002/jssc.70286
Jerimiah J. Seba, Walter F. Rowe, Ira S. Lurie
{"title":"The Use of Single or Serially Coupled Columns and the Effect of Organic Modifier for the Separation of Constitutional Isomers of the Synthetic Cannabinoid JWH 018","authors":"Jerimiah J. Seba,&nbsp;Walter F. Rowe,&nbsp;Ira S. Lurie","doi":"10.1002/jssc.70286","DOIUrl":"10.1002/jssc.70286","url":null,"abstract":"<div>\u0000 \u0000 <p>Traditional approaches, such as gas chromatography-mass spectrometry (GC-MS), are complemented by adopting new liquid chromatographic methods to separate isomeric drug mixtures that are unresolvable by the former technique. This study investigates a series of liquid chromatographic approaches using both traditional and silica hydride stationary phases. These methods focus on the separation of 11 synthetic cannabinoid constitutional isomers. Seven different columns were used to assess the utility of single and serially coupled column approaches under reversed-phase conditions. The best separation using a single column was the use of a Cogent Pentafluorophenyl (RP PFP) stationary phase, where 9 out of 11 constitutional isomers were separated. Concerning using different single columns with the same organic modifier or different organic modifiers with the same column, all compounds of interest were separated using a combination of RP PFP and RP C18 columns using methanol as the organic modifier. Cogent RP C18 separated all constitutional isomers (<i>R</i><sub>s</sub> = 1) in two separate runs, using methanol and acetonitrile individually. The serial coupling of columns, which did not offer better separation compared to the previous techniques, demonstrated either enhanced or diminished selectivity based on column coupling.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 10","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Application of a Deep Learning Model to Predict Liquid Chromatography Retention Times of Food Peptides Across Chromatographic Conditions 应用深度学习模型预测不同色谱条件下食品肽的液相色谱保留时间。
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-24 DOI: 10.1002/jssc.70270
Boudewijn Hollebrands, Jos Hageman, Hans-Gerd Janssen
{"title":"Application of a Deep Learning Model to Predict Liquid Chromatography Retention Times of Food Peptides Across Chromatographic Conditions","authors":"Boudewijn Hollebrands,&nbsp;Jos Hageman,&nbsp;Hans-Gerd Janssen","doi":"10.1002/jssc.70270","DOIUrl":"10.1002/jssc.70270","url":null,"abstract":"<div>\u0000 \u0000 <p>Comparing predicted and measured retention times can greatly enhance the reliability of peptide identification in LC-MS analysis of smaller, food-derived peptides where MS spectral information alone is often insufficient. Unfortunately, the extensive data sets of peptide retention times from proteomics repositories, or prediction models derived from them, have limited applicability to food-derived peptides due to the structural diversity of these peptides. To address this, we applied a transfer learning approach by fine-tuning a generic deep learning model initially trained on large proteomics datasets using our own experimental data obtained from commercial peptide standards.</p>\u0000 <p>The method utilizes an easy to implement retraining strategy that significantly reduces data requirements and training time compared to building a model from scratch. The retrained model demonstrated strong predictive performance (<i>Q</i><sup>2</sup> &gt; 0.98), and 95% of the retention time predictions of a yeast protein hydrolysate validation set fell within a ±1.0 min window across a wide range of chromatographic conditions, demonstrating both its robustness and practical relevance. We further validated this approach by applying it to the analysis of plant protein hydrolysates. The good performance seen showed its versatility and applicability for diverse sets of peptides including tryptic and non-tryptic peptides.</p>\u0000 <p>Our work underscores the potential of transfer learning in chromatographic analysis, providing an efficient and adaptable tool for rapid and reliable peptide analysis in food research. Transfer learning enabled the utilization of extensive databases from the proteomics area in the much narrower and specialized field of food peptide analysis.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145137829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Systematic Analysis of Chemical Constituents and Pharmacokinetics of Baihe Dihuang Decoction In Vivo by UHPLC-MS/MS 百合地黄汤体内化学成分及药动学的UHPLC-MS/MS系统分析
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-24 DOI: 10.1002/jssc.70281
Qiran Chen, Shujuan Xue, Fukang Jia, Mengdi Li, Jianhui Feng, Yuyang Jiang, Suiqing Chen, Yu Fu
{"title":"Systematic Analysis of Chemical Constituents and Pharmacokinetics of Baihe Dihuang Decoction In Vivo by UHPLC-MS/MS","authors":"Qiran Chen,&nbsp;Shujuan Xue,&nbsp;Fukang Jia,&nbsp;Mengdi Li,&nbsp;Jianhui Feng,&nbsp;Yuyang Jiang,&nbsp;Suiqing Chen,&nbsp;Yu Fu","doi":"10.1002/jssc.70281","DOIUrl":"10.1002/jssc.70281","url":null,"abstract":"<div>\u0000 \u0000 <p>Baihe Dihuang decoction (BDD), composed of Lilii Bulbus and Rehmanniae Radix, is a classical Chinese herbal formula. It demonstrates clinical applications in treating emotional disorders and anxiety. In this study, we characterized the chemical basis of BDD in vitro and elucidated its metabolic pathways, pharmacokinetic profiles, and tissue distribution in vivo. An ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) was used to qualitatively characterize the chemical constituents and their metabolites in rat plasma after oral administration of BDD. Then a reliable, sensitive, and accurate quantitative method based on an ultra-high performance liquid chromatography triple quadrupole mass spectrometry (UHPLC-QqQ-MS) was employed to investigate the pharmacokinetics of nine major compounds and the tissue distribution of six of these compounds in rats. Results showed that 97 constituents including iridoid glycosides, phenylethanoid glycosides, phenolic acid glycerides, alkaloids, and other types of components were identified in BDD. A total of 28 prototype constituents and 66 metabolites were identified in rat plasma samples. The related metabolic pathways mainly involved deglycosylation, methylation, and deoxygenation. The pharmacokinetic results showed that the analytes displayed rapid absorption and elimination. Tissue distribution analysis revealed that all analytes were detected in heart, liver, spleen, lung, and kidney at 0.5 h after administration and presented higher concentrations in the lung and kidney compared to other tissues. This study provides a reference for clinical application and new drug development of BDD.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145137874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simultaneous Quantification of a Novel β-Carboline Alkaloid Derivative and Its Three Metabolites in Rat Plasma by UHPLC-MS/MS and Its Application to a Pharmacokinetic Study UHPLC-MS/MS同时定量大鼠血浆中一种新型β-碳碱生物碱衍生物及其3种代谢物及其在药动学研究中的应用
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-24 DOI: 10.1002/jssc.70282
Mireyi Bahatijiang, Nan Xu, Xianrun Hu, Wenkang Liu, Jinchun Lei, Sitong Zhang, Fujie Cai, Zhejun Xie, Maojie Zhou, Junyi Wang, Huijing Gao, Liang Teng, Huida Guan, Changhong Wang
{"title":"Simultaneous Quantification of a Novel β-Carboline Alkaloid Derivative and Its Three Metabolites in Rat Plasma by UHPLC-MS/MS and Its Application to a Pharmacokinetic Study","authors":"Mireyi Bahatijiang,&nbsp;Nan Xu,&nbsp;Xianrun Hu,&nbsp;Wenkang Liu,&nbsp;Jinchun Lei,&nbsp;Sitong Zhang,&nbsp;Fujie Cai,&nbsp;Zhejun Xie,&nbsp;Maojie Zhou,&nbsp;Junyi Wang,&nbsp;Huijing Gao,&nbsp;Liang Teng,&nbsp;Huida Guan,&nbsp;Changhong Wang","doi":"10.1002/jssc.70282","DOIUrl":"10.1002/jssc.70282","url":null,"abstract":"<div>\u0000 \u0000 <p>1-Methyl-9-(3-pyridinylmethyl)-9H-pyrido[3,4-b] indole (HMYB) is a novel semi-synthetic alkaloid derived from β-carboline harmane, which has been proven to be effective in treatment of encopresis. But the pharmacokinetic characteristics of HMYB were not yet illustrated. In this study, three metabolites (harmane, harmol, and 7-OH-HMYB) of HMYB were isolated from rat urine after oral administration of HMYB and authenticated with nuclear magnetic resonance spectroscopy and high-resolution mass spectrometry. Most significantly, HMYB and its three metabolites were simultaneously quantified accurately in rat plasma using a quick, sensitive and selective UHPLC-MS/MS method. On an ACQUITY UPLC BEH C18 column (2.1 × 50 mm, 1.7 µm), the analytes and internal standard (osalmid) were separated by gradient elution using acetonitrile and water containing 0.1% formic acid at a flow rate of 0.4 mL/min. The mass spectrometry detector was used in positive ionization mode for multiple reaction monitoring. The method showed good linearity over the concentration range of 0.5–500 ng/mL for HMYB and three metabolites. The method was applied to the pharmacokinetic study of HMYB and its three metabolites after oral doses of HMYB (25, 50, and 100 mg/kg) and intravenous administration of 0.5 mg/kg in rats. Pharmacokinetic differences between HMYB and its three metabolites were determined, along with the absolute bioavailability of HMYB. These results would be helpful in understanding the efficacy of HMYB. The results will also contribute to providing guidance for the structural modification of more effective semi-synthetic derivatives.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145137876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Novel High Resolution Mass Spectrometry-Based Analytical Strategy for Simultaneous Metabolite Profiling and Standard-Free Metabolite Quantification of Artemisinin in Human Liver Microsomes and Plasma 一种新的基于高分辨率质谱的分析策略,用于人肝微粒体和血浆中青蒿素的同步代谢物分析和无标准代谢物定量
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-22 DOI: 10.1002/jssc.70273
Shanshan Du, Tong Liu, Kun Xu, Huixiu Mao, Jie Xing
{"title":"A Novel High Resolution Mass Spectrometry-Based Analytical Strategy for Simultaneous Metabolite Profiling and Standard-Free Metabolite Quantification of Artemisinin in Human Liver Microsomes and Plasma","authors":"Shanshan Du,&nbsp;Tong Liu,&nbsp;Kun Xu,&nbsp;Huixiu Mao,&nbsp;Jie Xing","doi":"10.1002/jssc.70273","DOIUrl":"10.1002/jssc.70273","url":null,"abstract":"<div>\u0000 \u0000 <p>Metabolite quantification without a radiolabeled analogue or the reference standard is challenging. This study presented a novel high resolution mass spectrometry (HRMS)-based analytical strategy for simultaneous metabolite profiling and standard-free metabolite quantification of drug candidates with limited restriction on structure. The model drug was artemisinin (ART), which is widely used in clinic to treat malaria. A major hydroxylated metabolite (M1) with minor isomer M2 was first found for ART in human liver microsomes using LC-HRMS. Second, the MS response ratio (MRR) of the hydroxylation pathway in specific biological matrix was investigated using several probe substituents (midazolam, etc.). In contrast to varying (0.5–1.9-fold difference) MS response of probe drugs and their metabolites at equimolar concentration, the MRR ratio of the hydroxylation pathway was relatively constant (∼0.6-fold). Third, simulated calculation curves for M1 were obtained based on the calibration curves of ART and the MRR ratios of the hydroxylation pathway. Fourth, the present analytical strategy provided reliable (&lt; 31.7% deviation from that obtained using a validated LC-MS technique) quantitative data on enzyme kinetics and pharmacokinetics. As a result, M1 was found to be the predominant metabolite for ART (3.6-fold of ART exposure) in human, and another unidentified hydroxylated metabolite M2 accounted for ∼40.0% of ART exposure. The results demonstrated that the new HRMS-based analytical strategy along with the MRR ratio of a metabolic pathway evaluated by appropriate probe substituents can be a valuable tool for the simultaneous metabolite profiling and standard-free metabolite quantification in early drug development.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145111280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Separation of Short- and Medium-Chain Fatty Acids Using Capillary Electrophoresis With Indirect Photometric Detection: Part II: Validation of Endogenous Concentration in Rat Feces 毛细管电泳间接光度法分离短链和中链脂肪酸:第二部分:验证大鼠粪便中内源性脂肪酸浓度
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-22 DOI: 10.1002/jssc.70275
Uyen Pham, Elizabeth Sambor, Kyle Frantz, Shahab A. Shamsi
{"title":"Separation of Short- and Medium-Chain Fatty Acids Using Capillary Electrophoresis With Indirect Photometric Detection: Part II: Validation of Endogenous Concentration in Rat Feces","authors":"Uyen Pham,&nbsp;Elizabeth Sambor,&nbsp;Kyle Frantz,&nbsp;Shahab A. Shamsi","doi":"10.1002/jssc.70275","DOIUrl":"10.1002/jssc.70275","url":null,"abstract":"<div>\u0000 \u0000 <p>As a public health crisis, cocaine addiction has no lasting treatments to prevent relapses, and adolescent behavior has been linked to risky behavior, including drug use. Addiction treatment may benefit from targeting the gut–brain axis. Short- and medium-chain fatty acids (SMCFAs) are produced by bacteria in the gut and communicate with the brain, therefore influencing drug reinforcement. The study has three primary objectives. To obtain dried feces, a simple, efficient desiccation time is first optimized. Second, we examined the analytical figures of merit for method validation to establish selectivity, linearity, limit of detection, limit of quantitation, precision, accuracy, matrix effects, and stability. Third, we establish baseline concentrations of SMCFAs (including branched-chain fatty acids) in the feces of healthy adults and adolescent rats. In addition, this study examines whether capillary electrophoresis with indirect photometric detection (IPD) can be used to determine whether antibiotics, cocaine, or both deplete SMCFAs in healthy rats. The results suggest that antibiotic treatment severely reduces fatty acid content in healthy rats, while cocaine exposure causes only modest decline. Therefore, the role of SMCFAs should be investigated as a possible route for gut–brain communication in addiction. To our knowledge, this is the first capillary electrophoresis IPD method that establishes baseline concentrations of fecal SMCFAs in adults and adolescents rats.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145110794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation of Zwitterionic Silica-Based Sorbents for Simultaneous Extraction of Acidic and Basic Pharmaceuticals From Water Samples 同时提取水样中酸碱性药物的两性离子硅基吸附剂的制备
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-22 DOI: 10.1002/jssc.70280
Alberto Moral, Francesc Borrull, Kenneth G. Furton, Abuzar Kabir, Núria Fontanals, Rosa M. Marcé
{"title":"Preparation of Zwitterionic Silica-Based Sorbents for Simultaneous Extraction of Acidic and Basic Pharmaceuticals From Water Samples","authors":"Alberto Moral,&nbsp;Francesc Borrull,&nbsp;Kenneth G. Furton,&nbsp;Abuzar Kabir,&nbsp;Núria Fontanals,&nbsp;Rosa M. Marcé","doi":"10.1002/jssc.70280","DOIUrl":"10.1002/jssc.70280","url":null,"abstract":"<p>The sol-gel approach was applied to develop three homemade silica sorbents. These sorbents where functionalized with mixed-mode zwitterionic exchange groups using only one additive to introduce at once the strong cation- (sulfonic groups) and strong anion-exchange (quaternary amines) moieties.</p><p>The developed materials were applied for the solid-phase extraction (SPE) of basic and acidic pharmaceuticals, and the sorbent functionalized with 2-(methacryloxy)-ethyldimethyl-3-(sulfopropyl)ammonium hydroxide was the best performing one. The optimal conditions for SPE were pH 5, a variable loading volume (ranging from 25 to 100 mL depending on the complexity of the sample) and elution volume with 5 mL of 1% NH<sub>4</sub>OH in MeOH.</p><p>The method validation was carried out attending to apparent and relative recoveries, matrix effect, precision (intraday and interday), and detection and quantification limits. It can be highlighted that apparent recoveries were higher than 30% for most compounds and method detection limits were at the low ng/L. The validated method was applied to quantify the pharmaceuticals in environmental water samples.</p>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/jssc.70280","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145111268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Novel High Resolution Mass Spectrometry-Based Analytical Strategy for Simultaneous Metabolite Profiling and Standard-Free Metabolite Quantification of Artemisinin in Human Liver Microsomes and Plasma 一种新的基于高分辨率质谱的分析策略,用于人肝微粒体和血浆中青蒿素的同步代谢物分析和无标准代谢物定量
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-22 DOI: 10.1002/jssc.70273
Shanshan Du, Tong Liu, Kun Xu, Huixiu Mao, Jie Xing
{"title":"A Novel High Resolution Mass Spectrometry-Based Analytical Strategy for Simultaneous Metabolite Profiling and Standard-Free Metabolite Quantification of Artemisinin in Human Liver Microsomes and Plasma","authors":"Shanshan Du,&nbsp;Tong Liu,&nbsp;Kun Xu,&nbsp;Huixiu Mao,&nbsp;Jie Xing","doi":"10.1002/jssc.70273","DOIUrl":"10.1002/jssc.70273","url":null,"abstract":"<div>\u0000 \u0000 <p>Metabolite quantification without a radiolabeled analogue or the reference standard is challenging. This study presented a novel high resolution mass spectrometry (HRMS)-based analytical strategy for simultaneous metabolite profiling and standard-free metabolite quantification of drug candidates with limited restriction on structure. The model drug was artemisinin (ART), which is widely used in clinic to treat malaria. A major hydroxylated metabolite (M1) with minor isomer M2 was first found for ART in human liver microsomes using LC-HRMS. Second, the MS response ratio (MRR) of the hydroxylation pathway in specific biological matrix was investigated using several probe substituents (midazolam, etc.). In contrast to varying (0.5–1.9-fold difference) MS response of probe drugs and their metabolites at equimolar concentration, the MRR ratio of the hydroxylation pathway was relatively constant (∼0.6-fold). Third, simulated calculation curves for M1 were obtained based on the calibration curves of ART and the MRR ratios of the hydroxylation pathway. Fourth, the present analytical strategy provided reliable (&lt; 31.7% deviation from that obtained using a validated LC-MS technique) quantitative data on enzyme kinetics and pharmacokinetics. As a result, M1 was found to be the predominant metabolite for ART (3.6-fold of ART exposure) in human, and another unidentified hydroxylated metabolite M2 accounted for ∼40.0% of ART exposure. The results demonstrated that the new HRMS-based analytical strategy along with the MRR ratio of a metabolic pathway evaluated by appropriate probe substituents can be a valuable tool for the simultaneous metabolite profiling and standard-free metabolite quantification in early drug development.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145111297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Separation of Short- and Medium-Chain Fatty Acids Using Capillary Electrophoresis With Indirect Photometric Detection: Part II: Validation of Endogenous Concentration in Rat Feces 毛细管电泳间接光度法分离短链和中链脂肪酸:第二部分:验证大鼠粪便中内源性脂肪酸浓度
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-22 DOI: 10.1002/jssc.70275
Uyen Pham, Elizabeth Sambor, Kyle Frantz, Shahab A. Shamsi
{"title":"Separation of Short- and Medium-Chain Fatty Acids Using Capillary Electrophoresis With Indirect Photometric Detection: Part II: Validation of Endogenous Concentration in Rat Feces","authors":"Uyen Pham,&nbsp;Elizabeth Sambor,&nbsp;Kyle Frantz,&nbsp;Shahab A. Shamsi","doi":"10.1002/jssc.70275","DOIUrl":"10.1002/jssc.70275","url":null,"abstract":"<div>\u0000 \u0000 <p>As a public health crisis, cocaine addiction has no lasting treatments to prevent relapses, and adolescent behavior has been linked to risky behavior, including drug use. Addiction treatment may benefit from targeting the gut–brain axis. Short- and medium-chain fatty acids (SMCFAs) are produced by bacteria in the gut and communicate with the brain, therefore influencing drug reinforcement. The study has three primary objectives. To obtain dried feces, a simple, efficient desiccation time is first optimized. Second, we examined the analytical figures of merit for method validation to establish selectivity, linearity, limit of detection, limit of quantitation, precision, accuracy, matrix effects, and stability. Third, we establish baseline concentrations of SMCFAs (including branched-chain fatty acids) in the feces of healthy adults and adolescent rats. In addition, this study examines whether capillary electrophoresis with indirect photometric detection (IPD) can be used to determine whether antibiotics, cocaine, or both deplete SMCFAs in healthy rats. The results suggest that antibiotic treatment severely reduces fatty acid content in healthy rats, while cocaine exposure causes only modest decline. Therefore, the role of SMCFAs should be investigated as a possible route for gut–brain communication in addiction. To our knowledge, this is the first capillary electrophoresis IPD method that establishes baseline concentrations of fecal SMCFAs in adults and adolescents rats.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145111367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信