Chromatographia最新文献

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Preparation and Characterization of Quaternized Polystyrene-Divinylbenzene Stationary Phases in Deep Eutectic Solvents for Anion-Exchange Chromatography 深层共晶溶剂中季铵化聚苯乙烯-二乙烯基苯固定相的制备及表征
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-20 DOI: 10.1007/s10337-025-04471-y
Zhongping Huang, Jianfeng Zou, Junhao Zhang, Haodong Wang, Huijun Liu
{"title":"Preparation and Characterization of Quaternized Polystyrene-Divinylbenzene Stationary Phases in Deep Eutectic Solvents for Anion-Exchange Chromatography","authors":"Zhongping Huang,&nbsp;Jianfeng Zou,&nbsp;Junhao Zhang,&nbsp;Haodong Wang,&nbsp;Huijun Liu","doi":"10.1007/s10337-025-04471-y","DOIUrl":"10.1007/s10337-025-04471-y","url":null,"abstract":"<div><p>In this study, quaternized cationic polyelectrolytes were successfully decorated on polystyrene-divinylbenzene (PS-DVB) microspheres in deep eutectic solvents (DESs). Quaternized cationic polyelectrolytes and hyperbranched layers were prepared using 1,4-butanediol diglycidyl ether (BDDE) and methylamine (MA) as monomers. The effects of different reaction solvents, the amount of agglomerated polyelectrolytes, and the number of hyperbranched layers on the chromatographic performance of the stationary phase were investigated. The surface morphological feature and chemical composition of the PS-DVB microspheres were characterized by SEM, FT-IR, and elemental analysis. The results showed that the optimized anion exchanger had a good chromatographic performance by choosing a mixture of 2.0 mmol/L sodium carbonate and 2.0 mmol/L sodium bicarbonate as the mobile phase at a flow rate of 1.0 mL/min. Seven common anions (fluoride ion, chloride ion, nitrite ion, bromide ion, nitrate ion, phosphate ion, and sulfate ion) were well separated within 25 min. The average numbers of theoretical plates per meter for three batches of columns prepared in DESs increased by 5% ~ 20%, as compared with those of the columns prepared in deionized water. Additionally, the asymmetry factors of detected anions were also improved for the columns prepared in DESs.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 3","pages":"239 - 245"},"PeriodicalIF":1.3,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147334256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Quantitative Chiral Separations of the Norepinephrine Reuptake Blocker Viloxazine by PO-HPLC–DAD: Application to Evaluate the Influence of Elevated Temperature and Varied pH on Chiral Interconversion PO-HPLC-DAD定量手性分离去甲肾上腺素再摄取阻断剂Viloxazine:应用于评价温度升高和pH变化对手性相互转化的影响
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-19 DOI: 10.1007/s10337-025-04465-w
Madhuri Divate, Jony Susanna Kandula, Radhakrishnanand Pullapanthula
{"title":"Quantitative Chiral Separations of the Norepinephrine Reuptake Blocker Viloxazine by PO-HPLC–DAD: Application to Evaluate the Influence of Elevated Temperature and Varied pH on Chiral Interconversion","authors":"Madhuri Divate,&nbsp;Jony Susanna Kandula,&nbsp;Radhakrishnanand Pullapanthula","doi":"10.1007/s10337-025-04465-w","DOIUrl":"10.1007/s10337-025-04465-w","url":null,"abstract":"<div><p>Chiral interconversion studies are crucial to unveil the inherent enantiomeric stability of a chiral pharmaceutical. Viloxazine is the chiral molecule, acting as a norepinephrine reuptake inhibitor used for the treatment of attention-deficit hyperactivity disorder (ADHD). Though viloxazine has a chiral centre, a comprehensive investigation of the enantiomeric stability under abiotic conditions remains unexplored. To bridge this gap, current research focused on the development of a rapid, accurate, and reliable analytical HPLC–DAD technique to study chiral interconversion. The chiral separation was carried out with a polar organic mode, in which 0.2% diethylamine in methanol is considered as the mobile phase and CHIRALCEL OD-H column (250 × 4.6 mm, 5 µm) as the stationary phase. The developed chiral technology was found linear in 0.10–3.00 µg mL<sup>−1</sup> concentrations, with the correlation coefficient <i>R</i><sup><i>2</i></sup> &gt; 0.999. The method was sensitive, able to detect at 0.03 µg mL<sup>−1</sup>, and quantify at 0.10 µg mL<sup>−1</sup> concentrations. The technique was fully validated, and the results closely aligned with the ICHQ2 (R2) acceptance criteria. Further, the validated method was successfully applied to uncover the pH-controlled chiral interconversion behaviour. The experiments revealed that (<i>R</i>)-VIL was interconverted to (<i>S</i>)-VIL at 80 ℃ in pH 7.4 and 9.5 buffers with the change in chiral purity of 1.47% and 2.02%, respectively. The current research provides insights to the academic and industrial communities in defining the storage parameters, choosing an appropriate formulation, and identifying interactions between the medicine and the excipient, solvent, and other chemicals. Further, this novel, accurate, precise, and robust enantioselective method will be helpful in regular quality control laboratories for obtaining the chiral purity and other related information.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 2","pages":"229 - 238"},"PeriodicalIF":1.3,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147340242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Origins, Identification, and Solutions for Ghost Peaks in Gas Chromatography 气相色谱中鬼峰的来源、鉴定和解决方法
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-18 DOI: 10.1007/s10337-025-04467-8
Xu Hu, Chenhua Li, Jianhui Deng
{"title":"The Origins, Identification, and Solutions for Ghost Peaks in Gas Chromatography","authors":"Xu Hu,&nbsp;Chenhua Li,&nbsp;Jianhui Deng","doi":"10.1007/s10337-025-04467-8","DOIUrl":"10.1007/s10337-025-04467-8","url":null,"abstract":"<div><p>Gas chromatography is a highly efficient, sensitive, and selective method for separation and analysis. This technique is extensively used for the analysis of volatile or semi-volatile compounds that are thermally stable across a wide range of industries. However, ghost peaks may severely interfere with qualitative and quantitative analysis of target compounds, primarily by reducing resolutions, inducing linearity deviations, increasing the limits of detection and quantification, or decreasing accuracy and precision. Therefore, excluding ghost peak interference is a prerequisite for obtaining accurate results. This review compiles various common sources responsible for ghost peak problems, such as cross-contamination of samples, sample decomposition, septum bleed and adsorption, liner reactivity, column bleed, memory effects, inappropriate analytical parameters, mismatched solvent polarity with stationary phases, and contamination from carrier gases, gas tubing, inlet plated seals, the split vent, capillary columns, detectors, and so on. Furthermore, the logical judgment process of determining the origins of ghost peaks is concisely and clearly described in the form of a flowchart. Additionally, several useful troubleshooting methods are introduced, such as the double blank test, the condensation test, and the inlet contamination test. They are helpful for GC analysts to quickly diagnose and eliminate problems caused by ghost peaks.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 2","pages":"121 - 133"},"PeriodicalIF":1.3,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","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 HPLC Combined with UPLC–Orbitrap-MS in Chemical Characterization, Quantitative Detection, and Species Authentication of Four Panax-Derived Products HPLC联合UPLC-Orbitrap-MS在四种人参衍生产品化学表征、定量检测和品种鉴定中的应用
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-18 DOI: 10.1007/s10337-025-04468-7
Xingwang Leng, Sicheng Wang, Anqi Wang, Bin Li, Lidong Cheng, Yixing Qiu, Jisheng Liu, Jiao Cui, Xiaoping Nie, Wei Wang, Xueli Bai, Hanwen Yuan, Caiyun Peng
{"title":"Application of HPLC Combined with UPLC–Orbitrap-MS in Chemical Characterization, Quantitative Detection, and Species Authentication of Four Panax-Derived Products","authors":"Xingwang Leng,&nbsp;Sicheng Wang,&nbsp;Anqi Wang,&nbsp;Bin Li,&nbsp;Lidong Cheng,&nbsp;Yixing Qiu,&nbsp;Jisheng Liu,&nbsp;Jiao Cui,&nbsp;Xiaoping Nie,&nbsp;Wei Wang,&nbsp;Xueli Bai,&nbsp;Hanwen Yuan,&nbsp;Caiyun Peng","doi":"10.1007/s10337-025-04468-7","DOIUrl":"10.1007/s10337-025-04468-7","url":null,"abstract":"<div><p><i>Panax</i> species are medicinal plants of high pharmaceutical and economic value. However, the high degree of similarity in their chemical compositions often leads to issues of adulteration and challenges in quality control. This study developed an integrated analytical strategy combining high-performance liquid chromatography (HPLC) and ultra-performance liquid chromatography–Orbitrap mass spectrometry (UPLC–Orbitrap-MS) to systematically characterize and differentiate four major <i>Panax</i> species: <i>Panax ginseng</i> (RS), <i>Panax quinquefolius</i> (XYS), <i>Panax notoginseng</i> (SQ), and <i>Panax japonicus</i> (BSQ). The established HPLC method proved robust and reliable, enabling the simultaneous quantification of 13 bioactive compounds, including 11 saponins and 2 polyacetylenes, and demonstrated excellent precision, reproducibility, and accuracy. The approach clearly revealed content variations of major constituents among the different species. Chemical fingerprinting combined with similarity analysis indicated significant interspecies differences. A total of 129 compounds were identified using high-resolution mass spectrometry, covering structure types such as protopanaxadiol-type, protopanaxatriol-type, oleanane-type, ocotillol-type, and C-17 side chain variant saponins. By elucidating the characteristic fragmentation patterns of representative ginsenosides, this work offered a theoretical foundation for reliable compound identification. The results provided a scientific foundation for quality assessment and species authentication, offering a comprehensive strategy for the standardization of <i>Panax</i>-derived medicinal products.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 2","pages":"211 - 227"},"PeriodicalIF":1.3,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An In-Depth Study Evaluating the Determination of CBD, Δ9-THC, Δ8-THC, and 25 Additional Cannabinoids in Cannabis Concentrates by Liquid Chromatography with Absorbance Detection 液相色谱吸光度法测定大麻浓缩物中CBD、Δ9-THC、Δ8-THC和其他25种大麻素的深入研究
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-15 DOI: 10.1007/s10337-025-04464-x
Walter B. Wilson, Arianna Romares, Stephen Goldman
{"title":"An In-Depth Study Evaluating the Determination of CBD, Δ9-THC, Δ8-THC, and 25 Additional Cannabinoids in Cannabis Concentrates by Liquid Chromatography with Absorbance Detection","authors":"Walter B. Wilson,&nbsp;Arianna Romares,&nbsp;Stephen Goldman","doi":"10.1007/s10337-025-04464-x","DOIUrl":"10.1007/s10337-025-04464-x","url":null,"abstract":"<div><p><i>Cannabis</i> revenue has risen in the United States (US) from $16.5B in 2018 to $45.4B in 2025, which can be attributed to the legalization of hemp in 2018 with the passage of the <i>Agricultural Improvement Act</i> of 2018 (2018 Farm Bill) and the surge of <i>Cannabis</i>-derived finished products. Hemp was defined as any <i>Cannabis sativa</i> plant having a Δ<sup>9</sup>-tetrahydrocannabinol (Δ<sup>9</sup>-THC) mass fraction of ≤ 0.3% on a dry weight basis. The legalization of finished products with higher THC levels has continued to increase. As of April 2025, medical marijuana is legal in 41 states, and recreational marijuana is legal in 24 states (and the District of Columbia). After the passage of the 2018 Farm Bill, there was a significant increase in hemp grown in the US, resulting in the supply outweighing the user demand. As a result, scientists developed a process for the synthesis of Δ<sup>8</sup>-tetrahydrocannabinol (Δ<sup>8</sup>-THC), Δ<sup>10</sup>-tetrahydrocannabinol (Δ<sup>10</sup>-THC), and other cannabinoids from hemp extracts containing high amounts of cannabidiol (CBD). Δ<sup>8</sup>-THC and Δ<sup>10</sup>-THC are popular synthetic cannabinoids in <i>Cannabis</i>-derived finished products because they exhibit similar psychoactive effects to Δ<sup>9</sup>-THC. However, these synthetic processes usually produce a combination of isomeric cannabinoids. One of the more common forms of these finished products is called <i>Cannabis</i> concentrates, which include but are not limited to oils, vapes, waxes, distillates, and isolates.</p><p>The Chemical Sciences Division (CSD) at the National Institute of Standards and Technology (NIST) previously developed an analytical method for the determination of CBD, Δ<sup>9</sup>-THC, and other cannabinoids in one form of concentrates, oils, by liquid chromatography (LC) with a photodiode array (PDA) detector for ultraviolet (UV) absorbance detection. Hemp oils are diluted with methanol and shaken for 15 min using routine laboratory equipment. This manuscript expands the LC-PDA method to include Δ<sup>8</sup>-THC-based and CBD-based concentrates to re-evaluate its performance for an expanded range of <i>Cannabis</i> samples. The results presented here highlight that other cannabinoids are often detected in these samples, leading to chromatographic issues for the accurate measurement of Δ<sup>9</sup>-THC. NIST CSD collaborated with Kaycha Labs in 2024 to better understand the concentrates currently available in the <i>Cannabis</i> industry and provide an in-depth study of 23,000 concentrate samples to understand the prevalence of these types of samples.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 2","pages":"197 - 210"},"PeriodicalIF":1.3,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10337-025-04464-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development and Validation of a Liquid Chromatography–Triple Quadrupole-Tandem Mass Spectrometry-Based Method for the Simultaneous Determination of Five Nitrosamine Drug Substance-Related Impurities in Rivaroxaban 液相色谱-三重四极杆-串联质谱法同时测定利伐沙班中5种亚硝胺类原料药杂质的建立与验证
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-13 DOI: 10.1007/s10337-025-04466-9
Miyoung Kim, Seohyeon Jung, Jeongmi Lee
{"title":"Development and Validation of a Liquid Chromatography–Triple Quadrupole-Tandem Mass Spectrometry-Based Method for the Simultaneous Determination of Five Nitrosamine Drug Substance-Related Impurities in Rivaroxaban","authors":"Miyoung Kim,&nbsp;Seohyeon Jung,&nbsp;Jeongmi Lee","doi":"10.1007/s10337-025-04466-9","DOIUrl":"10.1007/s10337-025-04466-9","url":null,"abstract":"<div><p>Unlike small-molecule nitrosamines, nitrosamine drug substance-related impurities (NDSRIs) exhibit API-specific structural similarity, posing notable analytical challenges because of their close resemblance to the parent drug and related impurities. Rivaroxaban was recently flagged by the European Medicines Agency (EMA) with five concerning NDSRIs, each assigned an acceptable daily intake limit of 1500 ng. This threshold is derived from structure–activity relationship analysis and the threshold of toxicological concern. It corresponds to Category 4 under the Carcinogenic Potency Categorization Approach (CPCA), which reflects structural alerts indicative of genotoxic potential.</p><p>To enable rapid and sensitive detection of these trace-level impurities, this study developed and validated a simultaneous analytical method for five NDSRIs in rivaroxaban drug substances and products using liquid chromatography–triple quadrupole-tandem mass spectrometry (LC–TQ-MS/MS).</p><p>Critical method parameters—including chromatographic separation with various column chemistries, gradient elution, and electrospray ionization in positive and negative modes—were carefully optimized. Moreover, sample dissolution solvents and extraction techniques were refined to maximize the recovery of five NDSRIs.</p><p>The method validation, performed per ICH Q2(R2) guidelines, demonstrated excellent linearity (<i>r</i><sup>2</sup> ≥ 0.995 across 10–120 ng/mL), high recovery rates (89.1–94.7%), and a lower limit of quantification of 10 ng/mL, representing only 10% of the daily intake threshold of the EMA.</p><p>Application to commercial rivaroxaban formulations confirmed the suitability of the method for routine pharmaceutical quality control, supporting regulatory compliance and enhancing drug safety.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 2","pages":"183 - 195"},"PeriodicalIF":1.3,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Robust Application of Bayesian Neural Networks to Equilibrium Dispersive Model of Chromatography Using Monte Carlo Simulations 贝叶斯神经网络在色谱平衡色散模型中的鲁棒应用
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-13 DOI: 10.1007/s10337-025-04463-y
Rafay Mustafa, Farman Ullah Khan, Aamir Farooq, Anam Rani
{"title":"Robust Application of Bayesian Neural Networks to Equilibrium Dispersive Model of Chromatography Using Monte Carlo Simulations","authors":"Rafay Mustafa,&nbsp;Farman Ullah Khan,&nbsp;Aamir Farooq,&nbsp;Anam Rani","doi":"10.1007/s10337-025-04463-y","DOIUrl":"10.1007/s10337-025-04463-y","url":null,"abstract":"<div><p>This article explores a data-driven methodology for investigating a one-dimensional equilibrium dispersive model of chromatography using a Bayesian regularized neural network. The model deliberates four key physicochemical factors: interstitial velocity, injected mass, diffusion coefficient, and retardation factor. To address ambiguity, Monte Carlo simulations are used to sample realistic parameter distributions and iteratively solve the model, improving extrapolative reliability, enabling probabilistic characterization, and sensitivity analysis. Within the Bayesian framework, Monte Carlo methods estimate the posterior predictive distribution, allowing the neural network to remain robust and quantify uncertainty under limited or noisy data. We compared the analytical solution with the Bayesian neural network solution by varying the four key factors. Strong graphical agreement was observed, and confirmatory consistency between both approaches. Lower diffusion coefficients produced sharper peaks, whereas higher diffusion led to smoother, more diffuse profiles. Similarly, higher velocities shortened the solute’s residence time, while lower velocities delayed elution. Both methods also showed agreement for different injected masses, with graphical and numerical results matching very closely. Finally, varying the retardation factor provided insight into solute–stationary phase interactions, with excellent agreement between analytical and neural network solutions. These results authenticate the reliability and precision of the Bayesian neural network in modeling chromatographic behavior.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 2","pages":"165 - 181"},"PeriodicalIF":1.3,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chitosan and Gold Nanoparticle-Based Coatings for Electrophoretic Separation of Biologically Active Compounds 壳聚糖和金纳米颗粒涂层用于生物活性化合物的电泳分离
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-08 DOI: 10.1007/s10337-025-04462-z
E. R. Ziangirova, E. A. Kolobova, E. V. Solovyeva, L. A. Kartsova
{"title":"Chitosan and Gold Nanoparticle-Based Coatings for Electrophoretic Separation of Biologically Active Compounds","authors":"E. R. Ziangirova,&nbsp;E. A. Kolobova,&nbsp;E. V. Solovyeva,&nbsp;L. A. Kartsova","doi":"10.1007/s10337-025-04462-z","DOIUrl":"10.1007/s10337-025-04462-z","url":null,"abstract":"<div><p>Two types of physically adsorbed hybrid coatings for the inner walls of fused silica capillaries using chitosan and gold nanoparticles (GNPs) are proposed for the selective electrophoretic separation of biologically active substances. The first approach involves the formation of a coating with chitosan-modified citrate-stabilized GNPs (cGNPs@CS). The second approach involves the sequential deposition of positively charged polydiallyldimethylammonium chloride (PDDA) and negatively charged citrate-stabilized gold nanoparticles (cGNPs) followed by functionalization with chitosan. The resulting cGNPs@CS-based coatings effectively shield capillary silanol groups in the pH range of 2 to 7, which is unattainable with a chitosan monolayer. The hybrid coatings provided high resolution of dansylated amino acid derivatives and increased resolution factors in the electrophoretic separation of carvedilol enantiomers.</p></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 2","pages":"153 - 164"},"PeriodicalIF":1.3,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147338031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Qualitative and Quantitative Evaluations of Ciwujia Tablets: MS-DIAL, MS-FINDER, and GNPS-Assisted Chemical Characterization 刺五加片的定性与定量评价:MS-DIAL、MS-FINDER和gnps辅助化学表征
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-04 DOI: 10.1007/s10337-025-04461-0
Yan Liu, Tiantian Wen, Jianjia Zhang, Wei Guan, Chunhe Lin, Kezhen Chen, Yanying Li, Qingshan Chen, Lili Zhang, Jiujiang Yan, Haixue Kuang, Bingyou Yang, Hao Zhang
{"title":"Qualitative and Quantitative Evaluations of Ciwujia Tablets: MS-DIAL, MS-FINDER, and GNPS-Assisted Chemical Characterization","authors":"Yan Liu,&nbsp;Tiantian Wen,&nbsp;Jianjia Zhang,&nbsp;Wei Guan,&nbsp;Chunhe Lin,&nbsp;Kezhen Chen,&nbsp;Yanying Li,&nbsp;Qingshan Chen,&nbsp;Lili Zhang,&nbsp;Jiujiang Yan,&nbsp;Haixue Kuang,&nbsp;Bingyou Yang,&nbsp;Hao Zhang","doi":"10.1007/s10337-025-04461-0","DOIUrl":"10.1007/s10337-025-04461-0","url":null,"abstract":"<div><p>Ciwujia tablet (CT) is extensively utilized in China to enhance sleep quality and manage cardiovascular and cerebrovascular disorders. This study presents a comprehensive strategy for evaluating the quality of CT from various manufacturers by integrating qualitative identification, quantitative analysis, and multivariate statistics. When identifying small molecules, traditional manual methods should be transformed into more efficient approaches that leverage software to facilitate complex analyses. Among the fragmentation software evaluated, MS-Finder distinguished itself as particularly effective. Following data acquisition through UHPLC-Orbitrap Fusion Tribrid mass spectrometry, the chemical characterization of the CT was performed using MS-DIAL, MS-Finder, and GNPS molecular networking techniques. In total, 80 compounds were identified in positive ion mode and 92 compounds in negative ion mode. Subsequently, parallel reaction monitoring (PRM) was used to analyze the eight key compounds identified in CT quantitatively. All eight components exhibited good linearity within their respective mass concentration ranges (<i>r</i> ≥ 0.99) and met the relevant requirements for precision, repeatability, and stability. Recovery rates ranged from 99.16% to 101.07%. Finally, multivariate statistical methods, such as hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA), were conducted using SIMCA 14.1 software to elucidate the differences among CT samples from ten manufacturers. The results indicate that the method established in this study can perform sensitive and efficient qualitative and quantitative analysis of the chemical components in CT. It is a promising approach for exploring compounds and provides new research directions and scientific support for future studies on quality control measures for CT.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":518,"journal":{"name":"Chromatographia","volume":"89 1","pages":"101 - 120"},"PeriodicalIF":1.3,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145982527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamic Characteristics of Adsorption of Saturated Hydrocarbons (C1–C4) and CO2 by Divinylbenzene and 4-Vinylbenzyl Chloride Copolymer 二乙烯基苯和4-乙烯基氯化苄共聚物吸附饱和烃(C1-C4)和CO2的热力学特性
IF 1.3 4区 化学
Chromatographia Pub Date : 2025-12-03 DOI: 10.1007/s10337-025-04459-8
Dmitriy M. Zarubin, Nataliia V. Abarbanel, Artyom N. Markov, Anton N. Petukhov, Andrey V. Vorotyntsev
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