Journal of separation science最新文献

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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":"145111334","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
Developments in Ion Exchange Chromatography–Mass Spectrometry for the Characterization of Intact Proteins and Proteoforms 离子交换色谱-质谱法表征完整蛋白质和蛋白质形态的研究进展
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-21 DOI: 10.1002/jssc.70268
Ziran Zhai, Thomas Holmark, Lars Jasperse, Andrea F. G. Gargano
{"title":"Developments in Ion Exchange Chromatography–Mass Spectrometry for the Characterization of Intact Proteins and Proteoforms","authors":"Ziran Zhai,&nbsp;Thomas Holmark,&nbsp;Lars Jasperse,&nbsp;Andrea F. G. Gargano","doi":"10.1002/jssc.70268","DOIUrl":"10.1002/jssc.70268","url":null,"abstract":"<p>Ion exchange chromatography (IEC) hyphenated to mass spectrometry (MS) is a powerful non-denaturing technique used for analyzing protein charge heterogeneity (including posttranslational modifications such as deamidation, phosphorylation, and sialylation), as well as for characterizing complex protein mixtures. This review provides an overview of current strategies for implementing IEC–MS, focusing on pH gradient-based methods: chromatofocusing, linear pH gradient elution, and salt-mediated pH gradient elution. First, the fundamental principles, elution modes, and separation mechanisms of IEC are introduced. The review then discusses the limitations of traditional salt gradient elution in IEC, which often relies on nonvolatile additives, and highlights the critical role of pH gradient-based IEC in enabling direct and efficient hyphenation with MS. Key factors influencing protein elution in IEC are summarized to aid method optimization and enhance the understanding of the separation process. Subsequently, recent advancements in IEC–MS are described, covering three key aspects: (i) the selection of appropriate volatile buffer systems and strategies for achieving controlled linear pH gradients, (ii) developments and selection criteria for IEC columns, and (iii) approaches to improve sensitivity and ionization efficiency in IEC–MS. Finally, the review compiles details of recently developed (2010–2025) pH gradient-based IEC–MS methods and summarizes their applications in identifying diverse therapeutic protein variants arising from PTMs, antibody-drug conjugates (ADCs), and other complex biological samples.</p>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/jssc.70268","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145110705","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
Introducing Hydrofluoroethers as Modifiers for Enantioseparation in Super/Subcritical Fluid Chromatography 超/亚临界流体色谱中对映体分离的氢氟醚改性剂
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-21 DOI: 10.1002/jssc.70267
Muhammad Qamar Farooq, Larry Miller, Luis Munoz, Daipayan Roy
{"title":"Introducing Hydrofluoroethers as Modifiers for Enantioseparation in Super/Subcritical Fluid Chromatography","authors":"Muhammad Qamar Farooq,&nbsp;Larry Miller,&nbsp;Luis Munoz,&nbsp;Daipayan Roy","doi":"10.1002/jssc.70267","DOIUrl":"10.1002/jssc.70267","url":null,"abstract":"<div>\u0000 \u0000 <p>The addition of modifiers led to a marked expansion of the chemical space that can be analyzed with super/subcritical fluid chromatography. The introduction of new modifiers can help tune selectivity with commercially available stationary phases. This work presents an entirely new class of modifiers, which offers unique selectivity not afforded by conventional solvents. We utilize hydrofluoroethers, commonly designated as <i>Engineered Fluids</i>, as modifier for enantioseparations on polysaccharide-based chiral stationary phases under super/subcritical fluid chromatographic conditions. Engineered fluids have been commonly utilized as heat transfer liquids for replacing chlorofluorocarbons. In this study, we utilize three different hydrofluoroethers, namely, Novec 7000, 7100, and 7200, to obtain novel selectivity on Chiralpak AD and IG columns as proof of concept for their utility. This study highlights the enhanced retention and selectivity changes afforded by these solvents, when blended with methanol in comparison to neat methanol, which is the most commonly used modifier. The effects of using different blend concentrations have also been elucidated in this study, with findings suggesting the importance of optimizing the amount of <i>Engineered Fluid</i> in the bulk mobile phase. The manuscript also dives into the variation in selectivity, when different hydrofluoroethers are used in the blend, pointing to the utility of each of the tested solvents.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145110701","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
Introducing Hydrofluoroethers as Modifiers for Enantioseparation in Super/Subcritical Fluid Chromatography 超/亚临界流体色谱中对映体分离的氢氟醚改性剂
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-21 DOI: 10.1002/jssc.70267
Muhammad Qamar Farooq, Larry Miller, Luis Munoz, Daipayan Roy
{"title":"Introducing Hydrofluoroethers as Modifiers for Enantioseparation in Super/Subcritical Fluid Chromatography","authors":"Muhammad Qamar Farooq,&nbsp;Larry Miller,&nbsp;Luis Munoz,&nbsp;Daipayan Roy","doi":"10.1002/jssc.70267","DOIUrl":"10.1002/jssc.70267","url":null,"abstract":"<div>\u0000 \u0000 <p>The addition of modifiers led to a marked expansion of the chemical space that can be analyzed with super/subcritical fluid chromatography. The introduction of new modifiers can help tune selectivity with commercially available stationary phases. This work presents an entirely new class of modifiers, which offers unique selectivity not afforded by conventional solvents. We utilize hydrofluoroethers, commonly designated as <i>Engineered Fluids</i>, as modifier for enantioseparations on polysaccharide-based chiral stationary phases under super/subcritical fluid chromatographic conditions. Engineered fluids have been commonly utilized as heat transfer liquids for replacing chlorofluorocarbons. In this study, we utilize three different hydrofluoroethers, namely, Novec 7000, 7100, and 7200, to obtain novel selectivity on Chiralpak AD and IG columns as proof of concept for their utility. This study highlights the enhanced retention and selectivity changes afforded by these solvents, when blended with methanol in comparison to neat methanol, which is the most commonly used modifier. The effects of using different blend concentrations have also been elucidated in this study, with findings suggesting the importance of optimizing the amount of <i>Engineered Fluid</i> in the bulk mobile phase. The manuscript also dives into the variation in selectivity, when different hydrofluoroethers are used in the blend, pointing to the utility of each of the tested solvents.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145110999","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
Developments in Ion Exchange Chromatography–Mass Spectrometry for the Characterization of Intact Proteins and Proteoforms 离子交换色谱-质谱法表征完整蛋白质和蛋白质形态的研究进展
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-21 DOI: 10.1002/jssc.70268
Ziran Zhai, Thomas Holmark, Lars Jasperse, Andrea F. G. Gargano
{"title":"Developments in Ion Exchange Chromatography–Mass Spectrometry for the Characterization of Intact Proteins and Proteoforms","authors":"Ziran Zhai,&nbsp;Thomas Holmark,&nbsp;Lars Jasperse,&nbsp;Andrea F. G. Gargano","doi":"10.1002/jssc.70268","DOIUrl":"10.1002/jssc.70268","url":null,"abstract":"<p>Ion exchange chromatography (IEC) hyphenated to mass spectrometry (MS) is a powerful non-denaturing technique used for analyzing protein charge heterogeneity (including posttranslational modifications such as deamidation, phosphorylation, and sialylation), as well as for characterizing complex protein mixtures. This review provides an overview of current strategies for implementing IEC–MS, focusing on pH gradient-based methods: chromatofocusing, linear pH gradient elution, and salt-mediated pH gradient elution. First, the fundamental principles, elution modes, and separation mechanisms of IEC are introduced. The review then discusses the limitations of traditional salt gradient elution in IEC, which often relies on nonvolatile additives, and highlights the critical role of pH gradient-based IEC in enabling direct and efficient hyphenation with MS. Key factors influencing protein elution in IEC are summarized to aid method optimization and enhance the understanding of the separation process. Subsequently, recent advancements in IEC–MS are described, covering three key aspects: (i) the selection of appropriate volatile buffer systems and strategies for achieving controlled linear pH gradients, (ii) developments and selection criteria for IEC columns, and (iii) approaches to improve sensitivity and ionization efficiency in IEC–MS. Finally, the review compiles details of recently developed (2010–2025) pH gradient-based IEC–MS methods and summarizes their applications in identifying diverse therapeutic protein variants arising from PTMs, antibody-drug conjugates (ADCs), and other complex biological samples.</p>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/jssc.70268","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145111000","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
Correction to “Primaquine Analysis in Pharmaceutical Formulation Using Multiple and Short-End Injections by Capillary Zone Electrophoresis-Ultraviolet Detection” 对“用毛细管带电泳-紫外检测法分析多端和短端注射剂制剂中的伯氨喹”的修正
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-20 DOI: 10.1002/jssc.70262
{"title":"Correction to “Primaquine Analysis in Pharmaceutical Formulation Using Multiple and Short-End Injections by Capillary Zone Electrophoresis-Ultraviolet Detection”","authors":"","doi":"10.1002/jssc.70262","DOIUrl":"10.1002/jssc.70262","url":null,"abstract":"<p>J. C. Q. de Souza, P. R. Chellini, M. V. N. de Souza, and M. A. L. de Oliveira, “Primaquine Analysis in Pharmaceutical Formulation Using Multiple and Short-End Injections by Capillary Zone Electrophoresis-Ultraviolet Detection,” <i>Journal of Separation Science</i> 47, no. 22 (2024): 1–11, https://doi.org/10.1002/jssc.70026.</p><p>The corrections to the article entitled “Primaquine Analysis in Pharmaceutical Formulation Using Multiple and Short-End Injections by Capillary Zone Electrophoresis-Ultraviolet Detection,” published in the <i>Journal of Separation Science</i>, DOI: 10.1002/jssc.70026 were considered. Thus, the corrections took into account errors in the following sections: Introduction, paragraph 2, and BGE Optimization, paragraph 2. Additionally, a correction was performed in Figure 1. The explanations for each corrected item have been described in detail.</p><p>In paragraph 2 of the “Introduction” section, the text “[…] the pKa<sub>2</sub> belongs to the nitrogen of pyridine moiety; […]” was incorrect. This should have read: “[…] the pKa<sub>2</sub> belongs to the nitrogen of the quinoline ring; […].”</p><p>In paragraph 2 of the “BGE Optimization” section, the text “The effective mobility versus pH curves in Figure 1B showed that the PQN is ionized up to pH 3.0, has a neutral behavior in the range of 4.0–10.0, and the anionic form becomes predominant at a pH above 11.0. So, PQN at pH values lower than pKa<sub>2</sub> behaves as a Lewis acid; at pH values between 4.5 and 9.5, approximately, it will have neutral behavior. Finally, above pH 10.4, it will behave as a Lewis base.” was incorrect. This should have read: “The effective mobility versus pH curves in Figure 1B show that PQN is doubly positively charged up to pH 3.2 (pKa<sub>1</sub>), exhibits cationic behavior with a single positive charge in the pH range 4.0–10.0, and its neutral form becomes predominant at pH values above 10.4 (pKa<sub>3</sub>). The expanded region of the first inflection point of the PQN curve, between 19.6 and 20.6 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>, is shown in Figure 1C.”</p><p>In Figure 1, Figure 1B is incorrect because the effective mobility versus pH curve of primaquine is incorrect. After recalculating the data, new mobility values were obtained, and the updated curve presents a very subtle inflection region. Therefore, the new Figure 1 should be divided into three parts: 1A—Primaquine structure and its pKa values; 1B—effective mobility versus pH curves for primaquine and background electrolyte components; and 1C—the expanded region of the first inflection point of the primaquine curve.″ The correct Figure 1 is shown below.</p><p>We apologize for these errors.</p>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/jssc.70262","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102114","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
Optimizing Cannabis Sample Preparation to Reduce Chloroform Usage: A Comparison of I-Optimal, D-Optimal, and A-Optimal Designs 优化大麻样品制备以减少氯仿的使用:i -最优、d -最优和A-最优设计的比较
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-20 DOI: 10.1002/jssc.70278
Chaowalit Monton, Laksana Charoenchai, Jirapornchai Suksaeree, Thanapat Songsak
{"title":"Optimizing Cannabis Sample Preparation to Reduce Chloroform Usage: A Comparison of I-Optimal, D-Optimal, and A-Optimal Designs","authors":"Chaowalit Monton,&nbsp;Laksana Charoenchai,&nbsp;Jirapornchai Suksaeree,&nbsp;Thanapat Songsak","doi":"10.1002/jssc.70278","DOIUrl":"https://doi.org/10.1002/jssc.70278","url":null,"abstract":"<div>\u0000 \u0000 <p>The aim of this study was to identify a safer solvent system to reduce toxic chloroform usage, consisting of a mixture of acetonitrile, methanol, and water, for the preparation of cannabis samples. A comparison among I-optimal, D-optimal, and A-optimal experimental designs for Charlotte's Angel and Hang Kra Rog Phu Phan cultivars was conducted. Results indicated that the I-optimal and D-optimal designs exhibited similar contour plot patterns and design spaces, which differed from those of the A-optimal design. The optimal solvent mixture that maximized both cannabidiol and ∆<sup>9</sup>-tetrahydrocannabinol for both cultivars was acetonitrile:methanol:water in the ratio 0.571:0.0890:0.340, demonstrating that this safer mixture performed comparably to the standard methanol:chloroform (9:1) system. The cannabidiol and ∆<sup>9</sup>-tetrahydrocannabinol contents extracted using the optimal mixture were not significantly different from those obtained with the chloroform-containing system, confirming its effectiveness. Furthermore, during a 28-day study period, cannabidiol and ∆<sup>9</sup>-tetrahydrocannabinol stored at 4 and -20°C remained stable, with no significant differences observed. In conclusion, the I-optimal design effectively optimized the cannabis sample preparation using a safer solvent mixture, reducing chloroform usage while maintaining comparable extraction efficiency and stable cannabinoid content.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102115","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
Dual-Mode Pyrolysis-Gas Chromatography-Mass Spectrometry as a Forensic Tool for Cultural Heritage: Deconstructing Complex Hybrid Binder Stratigraphy in a Mid-Twentieth-Century Iranian Coffee House Painting 双模式热解-气相色谱-质谱法作为文化遗产的法医工具:解构二十世纪中期伊朗咖啡馆绘画中复杂的混合粘合剂地层
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-20 DOI: 10.1002/jssc.70266
Biao Chen, Xin Wang, Hongyan Sun, Xinying Hao, Li You, Fang Wang, Michael R. Schilling, Yang Li, Anchuan Fan
{"title":"Dual-Mode Pyrolysis-Gas Chromatography-Mass Spectrometry as a Forensic Tool for Cultural Heritage: Deconstructing Complex Hybrid Binder Stratigraphy in a Mid-Twentieth-Century Iranian Coffee House Painting","authors":"Biao Chen,&nbsp;Xin Wang,&nbsp;Hongyan Sun,&nbsp;Xinying Hao,&nbsp;Li You,&nbsp;Fang Wang,&nbsp;Michael R. Schilling,&nbsp;Yang Li,&nbsp;Anchuan Fan","doi":"10.1002/jssc.70266","DOIUrl":"10.1002/jssc.70266","url":null,"abstract":"<div>\u0000 \u0000 <p>The molecular characterization of progressively complex paint systems in cultural heritage objects remains a significant challenge, particularly for artworks employing mixed synthetic/natural binder. Overcoming this challenge is critical for reconstructing the material history and informing conservation strategies. This study investigates the multi-layered hybrid binder stratigraphy of <i>Portrait of Farrokh Gaffari</i> (Fathollah Qollar Aghasi, 1959), a representative work of the Iranian Coffee House School. Through complementary pyrolysis approaches—conventional pyrolysis-gas chromatography-mass spectrometry and thermally assisted hydrolysis and methylation pyrolysis-gas chromatography-mass spectrometry—the article developed an optimized analytical protocol for differentiating organic components in complex artistic matrices. Results demonstrate a four-layer structure: (1) cotton canvas substrate, (2) ground layer, (3) pigment layer, and (4) surface varnish. Targeted molecular marker analysis revealed the chemical stratigraphy: (1) dibutyl phthalate-plasticized polyvinyl acetate in the ground layer, (2) linseed oil as the binder in the pigment layer, and (3) an alkyd resin varnish incorporating phthalic acid, pentaerythritol, linseed oil derivatives, and terpenoids from Pinaceae resin. The combined pyrolysis approaches successfully addressed analytical challenges associated with microsamples from mixed-media artworks, enabling clear differentiation among native binders, synthetic polymers, and additives. This research bridges critical gaps between analytical chemistry and heritage science: demonstrating how molecular diagnostics directly informs preventive and interventive conservation strategies for 20th-century hybrid artworks.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102107","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
Determination of Solute Descriptors for the Solvation Parameter Model by Reversed-Phase Liquid Chromatography Binary and Ternary Solvent Systems: A Case Study 用反相液相色谱法测定二元和三元溶剂体系溶剂化参数模型的溶质描述符:一个案例研究
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-20 DOI: 10.1002/jssc.70283
Sanka N. Atapattu, Azamat Temerdashev
{"title":"Determination of Solute Descriptors for the Solvation Parameter Model by Reversed-Phase Liquid Chromatography Binary and Ternary Solvent Systems: A Case Study","authors":"Sanka N. Atapattu,&nbsp;Azamat Temerdashev","doi":"10.1002/jssc.70283","DOIUrl":"10.1002/jssc.70283","url":null,"abstract":"<div>\u0000 \u0000 <p>The solvation parameter model is a versatile tool validated across various applications for characterizing chromatographic systems and estimating biophysical and environmental properties of interest. The general form of the solvation parameter model for applications where transfer of neutral compounds between two condensed phases uses five solute descriptors, where, except for McGowan's characteristic volume (V), the remaining four descriptors are determined using a combination of reversed-liquid chromatography, gas chromatography, and liquid–liquid partitioning experimental data. In this study, we investigated the determination of solute descriptors for the solvation parameter model using binary and ternary solvent systems in reversed-phase liquid chromatography on a single stationary phase. As a proof of concept, we replicate the descriptor values found in the WSU descriptor database with those of solute descriptors determined using reversed-phase liquid chromatography binary and ternary solvent systems on a single stationary phase for 31 compounds. As a case study, we demonstrated the application of this approach by determining solute descriptors for 13 new compounds using this proposed approach. Standard error values for the estimated descriptors ranged from 0.019 for 1-fluoro-4-nitrobenzene to 0.080 for 4-methylbenzaldehyde.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102271","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
Optimizing Cannabis Sample Preparation to Reduce Chloroform Usage: A Comparison of I-Optimal, D-Optimal, and A-Optimal Designs 优化大麻样品制备以减少氯仿的使用:i -最优、d -最优和A-最优设计的比较
IF 2.8 3区 工程技术
Journal of separation science Pub Date : 2025-09-20 DOI: 10.1002/jssc.70278
Chaowalit Monton, Laksana Charoenchai, Jirapornchai Suksaeree, Thanapat Songsak
{"title":"Optimizing Cannabis Sample Preparation to Reduce Chloroform Usage: A Comparison of I-Optimal, D-Optimal, and A-Optimal Designs","authors":"Chaowalit Monton,&nbsp;Laksana Charoenchai,&nbsp;Jirapornchai Suksaeree,&nbsp;Thanapat Songsak","doi":"10.1002/jssc.70278","DOIUrl":"10.1002/jssc.70278","url":null,"abstract":"<div>\u0000 \u0000 <p>The aim of this study was to identify a safer solvent system to reduce toxic chloroform usage, consisting of a mixture of acetonitrile, methanol, and water, for the preparation of cannabis samples. A comparison among I-optimal, D-optimal, and A-optimal experimental designs for Charlotte's Angel and Hang Kra Rog Phu Phan cultivars was conducted. Results indicated that the I-optimal and D-optimal designs exhibited similar contour plot patterns and design spaces, which differed from those of the A-optimal design. The optimal solvent mixture that maximized both cannabidiol and ∆<sup>9</sup>-tetrahydrocannabinol for both cultivars was acetonitrile:methanol:water in the ratio 0.571:0.0890:0.340, demonstrating that this safer mixture performed comparably to the standard methanol:chloroform (9:1) system. The cannabidiol and ∆<sup>9</sup>-tetrahydrocannabinol contents extracted using the optimal mixture were not significantly different from those obtained with the chloroform-containing system, confirming its effectiveness. Furthermore, during a 28-day study period, cannabidiol and ∆<sup>9</sup>-tetrahydrocannabinol stored at 4 and -20°C remained stable, with no significant differences observed. In conclusion, the I-optimal design effectively optimized the cannabis sample preparation using a safer solvent mixture, reducing chloroform usage while maintaining comparable extraction efficiency and stable cannabinoid content.</p>\u0000 </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102109","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
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