Journal of Chromatography A最新文献

{"title":"Analytical methodology for challenging persistent, mobile, and toxic substances in vegetal matrices after irrigation with contaminated water","authors":"Sergi Gregorio-Lozano,&nbsp;Victoria Bolos-Sánchez,&nbsp;Jorge Pitarch-Motellón,&nbsp;Elena Pitarch,&nbsp;Lubertus Bijlsma","doi":"10.1016/j.chroma.2025.465948","DOIUrl":"10.1016/j.chroma.2025.465948","url":null,"abstract":"<div><div>Reusing wastewater for irrigation is proposed as a strategy to address water scarcity. However, the long-term environmental consequences of this practice are still unknown, especially when reclaimed water contains contaminants of emerging concern, such as persistent, mobile, and toxic (PMT) compounds, due to the inefficiency of wastewater treatment plants in removing certain pollutants. As a result, irrigation with contaminated water could lead to their uptake by crops and enter the food chain. While data on the presence of PMTs in environmental samples is starting to emerge, the analysis of certain compounds in vegetable matrices remains unexplored. In this study, an analytical methodology was developed and validated for the determination of 8 PMTs (i.e.<em>,</em> benzophenone-3, clarithromycin, imazalil, metformin, sulpiride, terbutryn, tiapride, and tramadol) in escarole, tomatoes, and tomato leaves. The proposed analytical methodology used a QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) extraction method prior to mixed-mode liquid chromatography tandem mass spectrometry analysis. Method validation, performed according to SANTE guidelines, presented satisfactory results at studied concentrations (1, 10 and 100 ng·g^-1 for each compound/matrix combination, except for metformin in escarole (50 and 500 ng·g^-1). Recoveries ranged from 70 to 120 %, with a precision of ≤ 20 % for most compounds. Benzophenone-3 and tiapride, for which no isotopically labelled internal standard was available, could be adjusted by applying a correction factor. The limit of quantification was 1 ng·g^-1 for all compounds in the three matrices, except for benzophenone-3 and metformin in both escarole and tomato leaves. The applicability of the method was tested by analysing samples from an experimental greenhouse plot where crops were irrigated with water spiked with the selected PMTs.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465948"},"PeriodicalIF":3.8,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A flower-shaped recycled polymeric-coated cellulose paper for the isolation of organic contaminants from waters","authors":"Khwanchanok Samkampang ,&nbsp;M. Laura Soriano ,&nbsp;Rafael Lucena ,&nbsp;Chongdee Thammakhet-Buranachai ,&nbsp;Soledad Cárdenas","doi":"10.1016/j.chroma.2025.465949","DOIUrl":"10.1016/j.chroma.2025.465949","url":null,"abstract":"<div><div>Polymeric waste, often discarded from everyday activities, poses environmental risks. An eco-sustainable thin-film microextraction approach (TFME) utilizing flower-like filter paper coated with waste polymers as the sorptive phase is presented herein for isolating volatile organic compounds (VOCs) from water samples. This particular phase configuration allows an efficient stirring with minimal resource consumption. The sorptive phase is prepared by dip-coating, which offers simplicity and enables simple polymer reusability. Low-density polyethylene (LDPE) and expanded polystyrene (PS) residues were evaluated as polymeric coatings, the latter providing a more efficient isolation of the analytes in shorter times. The effect of the main variables involved in the synthesis (paper size, polymer selection, concentration of the polymeric precursor, and the number of dips) and extraction process (extraction and elution parameters) was thoroughly evaluated. Working under the optimum conditions and using gas chromatography-mass spectrometry (GC–MS) as the instrumental technique, quantification limits in the range of 9-10 µg L^-1 were obtained for toluene, <em>o-</em> and <em>p-</em>xylene, ethylbenzene and styrene. Intra-day and inter-day precision (expressed as relative standard deviation) better than 7.6%, and accuracy (expressed as relative recoveries) in the 92-110% range were also obtained. The developed method was applied successfully to varied drinking water samples, revealing pollutants across diverse packaging materials. In tap waters, laboratory levels of styrene were noted (18 ± 3 µg L^-1). Mineral water in biobased cartons exhibited styrene, toluene (15.2 ± 0.3 µg L^-1), <em>o</em>-xylene (5.5 ± 0.2 µg L^-1), along with detected styrene and toluene in polyethylene terephthalate (PET) bottles.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465949"},"PeriodicalIF":3.8,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning-driven insights into retention mechanism in IAM chromatography of anticancer sulfonamides: Implications for biological efficacy","authors":"Wiktor Nisterenko ,&nbsp;Beata Żołnowska ,&nbsp;Jiayin Deng ,&nbsp;Dominika Zgoda ,&nbsp;Alicja Różycka ,&nbsp;Katarzyna Ewa Greber ,&nbsp;Aneta Pogorzelska ,&nbsp;Krzysztof Szafrański ,&nbsp;Anita Bułakowska ,&nbsp;Łukasz Tomorowicz ,&nbsp;Anna Kawiak ,&nbsp;Wiesław Sawicki ,&nbsp;Defang Ouyang ,&nbsp;Jarosław Sławiński ,&nbsp;Krzesimir Ciura","doi":"10.1016/j.chroma.2025.465911","DOIUrl":"10.1016/j.chroma.2025.465911","url":null,"abstract":"<div><div>Machine learning (ML) tools offer new opportunities in drug discovery, especially for enhancing our understanding of molecular interactions with biological systems. This study develops a comprehensive quantitative structure-retention relationship (QSRR) model to elucidate sulfonamides' binding mechanisms to phospholipids via immobilized artificial membrane (IAM) chromatography. Using a dataset of over 500 sulfonamide derivatives, we combined experimental IAM-HPLC data with computational molecular descriptors and ML techniques, achieving robust predictive models. The descriptor-based LASSO regression model effectively predicts retention behavior (R² = 0.71, Q² = 0.77), providing insights into molecular interactions. Critical descriptors influencing these interactions include aqueous solubility, nitrogen-to-oxygen ratio, atomic and mass descriptors such as atom and ring count, as well as log<em>P</em>, indicative of molecular lipophilicity. Furthermore, the fingerprint-based predictive support vector machine model demonstrated superior performance (R² = 0.899 Q² = 0.810) highlighting structural features such as benzene rings and nitrogen-attached fragments as crucial factors in determining phospholipid affinity. Furthermore, predictive models for anticancer activities across three cell lines—HCT-116, HeLa, and MCF-7—were constructed, highlighting CHI_IAM value as a critical determinant of bioactivity. The findings underscore the utility of integrated ML and chromatographic approaches in streamlining the drug development pipeline, improving predictions of biological efficacy while reducing experimental burden.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465911"},"PeriodicalIF":3.8,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143821006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solid-phase microextraction coupled to gas chromatography–Mass spectrometry as an advanced method for the determination of bioplasticizers in environmental and bottled water samples","authors":"Nicolette Viktoryová ,&nbsp;Agneša Szarka ,&nbsp;Raquel Capilla-Flores ,&nbsp;Francisco Javier Arrebola Liébanas","doi":"10.1016/j.chroma.2025.465943","DOIUrl":"10.1016/j.chroma.2025.465943","url":null,"abstract":"<div><div>The aim of this work was the development of a novel analytical method for the extraction, separation, and determination of 21 bioplasticizers in water using direct immersion – solid phase microextraction in combination with gas chromatography-tandem mass spectrometry (DI-SPME-GC–MS/MS) to monitor these substances in the environment at low concentration levels. Incubation, extraction, and desorption parameters of the SPME procedure were optimised. All solutions were incubated in a heating chamber for 10 min at 70 °C, followed by SPME extraction for 60 minutes using 50/30 µm DVB/CAR/PDMS fiber. Thermal desorption followed at 270 °C for 3 min. Bioplasticizers were determined by GC–MS/MS. The method was validated, with LODs in range of 0.3 – 3 ng/mL, and LOQs 1 – 10 ng/mL for investigated bioplasticizers. The new method was applied for the analysis of real water samples. Positive results were found in real samples of agricultural water and bottled water in concentrations over 1 ng/mL. Five of the identified bioplasticizers were determined at concentrations in the range 1.43 – 3.44 ng/mL.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465943"},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Simulation of the retention factors on multiple columns in series in supercritical fluid chromatography: enantioseparation of warfarin as a simple model","authors":"Maï Serein-Grosjean ,&nbsp;Ruth Massounga ,&nbsp;Augustin Lipka ,&nbsp;David Speybrouck ,&nbsp;Emmanuelle Lipka","doi":"10.1016/j.chroma.2025.465945","DOIUrl":"10.1016/j.chroma.2025.465945","url":null,"abstract":"<div><div>Chirality plays a crucial role in the physical and biological properties of molecules, making the separation of stereoisomers an important and challenging research focus. In this context, supercritical fluid chromatography (SFC), using supercritical carbon dioxide as the primary mobile phase, offers high throughput, environmental friendliness, and improved resolution, especially when multiple columns are coupled to increase separation efficiency and selectivity.</div><div>Despite advances, chiral separations are often based on trial and error and require rationalization. This study applies a mathematical model to multi-column systems to predict the retention behavior of warfarin enantiomers. Retention factor, retention time, and selectivity were calculated and experimentally determined on two, three, and four columns coupled in series. The relative deviation for retention time determination ranged from 0.68 to 7.29 % and for selectivity from 0.00 to 4.28 %.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465945"},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on the essential components in Cyperi Rhizoma from different regions of China based on 3D van Krevelen diagram","authors":"Chuanhua Feng ,&nbsp;Xiaolin Tang ,&nbsp;Jian Zhou ,&nbsp;Huiling Guo ,&nbsp;Jinfang Hu","doi":"10.1016/j.chroma.2025.465942","DOIUrl":"10.1016/j.chroma.2025.465942","url":null,"abstract":"<div><div>Investigate the correlation between essential components and <em>Cyperi Rhizoma</em> from various regions of China using the 3D van Krevelen diagram. Head-space hyphenated with Gas chromatography-mass spectrometry (HS-GC–MS) was employed to analyze the essential components of <em>Cyperi Rhizoma</em> from different regions of China. The 3D van Krevelen diagram was generated using Matlab 8.0 software to visualize the data. Additionally, high-performance liquid chromatography (HPLC) was utilized to quantify the content of cyperenone, nootkatone, and α-cyperone in <em>Cyperi Rhizoma</em> samples from diverse regions of China. A total of 132 chemical components were identified in <em>Cyperi Rhizoma</em>, encompassing alkanes, alkenes, alcohols, aldehydes, ketones, acids, esters, sesquiterpenes, and oxidized sesquiterpenes, among others. The 3D van Krevelen diagram effectively illustrated the categories, quantities, and proportions of these components and highlighted region-specific characteristics. For instance, terpenoid content was highest in samples from Guangdong, while alcohols, aldehydes, and ketones were most abundant in those from Shandong. The highest levels of alkenes, monoterpenes, and sesquiterpenes were observed, whereas oxidized terpenes showed the lowest concentrations. The HPLC findings corroborated the conclusions derived from the 3D van Krevelen diagram. The 3D van Krevelen diagram effectively depicted the distribution of essential components in <em>Cyperi Rhizoma</em> from different regions of China, facilitating the transition from numerical data to graphical representation. This method provides an intuitive visualization of the compositional characteristics of <em>Cyperi Rhizoma</em> across various regions of China.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465942"},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual-filler mixed matrix membrane with covalent-organic framework and nano TiO2/polyether sulfone for efficient antibody purification","authors":"Zhenhu Liu ,&nbsp;Peijun Ye ,&nbsp;Leying Shi ,&nbsp;Zheng Zhao,&nbsp;Jingwei Zhou,&nbsp;Ying Zhou,&nbsp;Feng Li,&nbsp;Jia-Huan Qu,&nbsp;Qiqin Wang,&nbsp;Zhengjin Jiang","doi":"10.1016/j.chroma.2025.465940","DOIUrl":"10.1016/j.chroma.2025.465940","url":null,"abstract":"<div><div>With the rapid expansion of antibody drug market, most biopharmaceutical industries urgently need to optimize their downstream purification processes to reduce production costs and improve market competitiveness. In this study, a dual-filler polyether sulfone (PES) mixed matrix membrane (MMM) that combines covalent-organic framework (COF) with nano TiO₂ was developed to overcome the drawbacks of conventional protein A based purification methods. Firstly, COF@TiO₂ dual-filler was prepared by Schiff base reaction. The proposed dual-filler MMM was fabricated via nonsolvent-induced phase separation (NIPS), followed by functionalization with a Fab-specific affinity peptide (m-EDPW) of trastuzumab through atom-transfer radical-polymerization method. The resulting m-EDPW@COF@TiO₂/PES affinity membrane effectively integrates the merits of COF and TiO₂ and show synergistic effects, demonstrating satisfactory hydrophilicity, anti-fouling ability (BSA rejection rate: 97.7%), enrichment recovery (90.8%), binding capacity for trastuzumab (386.6 mg/g), and long-term stability (∼ 21 days). Particularly, this affinity membrane showed good selectivity and specificity, enabling the successful purification of trastuzumab from spiked HCC1937 cancer cell culture medium with satisfactory purity (∼97.4%) and preservation of the antibody secondary structure. This study not only developed a novel affinity membrane with satisfactory antibody separation performance but also opened a new route for developing dual-filler or multi-filler MMM for highly efficient downstream protein purification.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465940"},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Prioritization strategies for non-target screening in environmental samples by chromatography – High-resolution mass spectrometry: A tutorial","authors":"Jonathan Zweigle,&nbsp;Selina Tisler,&nbsp;Marta Bevilacqua,&nbsp;Giorgio Tomasi,&nbsp;Nikoline J. Nielsen,&nbsp;Nadine Gawlitta,&nbsp;Josephine S. Lübeck,&nbsp;Age K. Smilde,&nbsp;Jan H. Christensen","doi":"10.1016/j.chroma.2025.465944","DOIUrl":"10.1016/j.chroma.2025.465944","url":null,"abstract":"<div><div>Non-target screening (NTS) using chromatography coupled to high-resolution mass spectrometry (HRMS), has become fundamental for detecting and prioritizing chemicals of emerging concern (CECs) in complex environmental matrices. The vast number of generated features (<em>m/z</em>, retention time, and intensity) necessitate effective prioritization strategies to identify environmentally and toxicologically relevant CECs. Since compound identification remains a major bottleneck in NTS, prioritization is critical to focus identification efforts where they matter most.</div><div>This tutorial presents seven prioritization strategies: (1) Target and suspect screening for identifying known or suspected compounds using reference libraries. (2) Data quality filtering to apply quality control measures to reduce noise and the number of false positives. (3) Chemistry-driven prioritization using HRMS data properties to prioritize specific compound classes (e.g., halogenated substances, transformation products). (4) Process-driven – using spatial, temporal, or process-based comparisons (pre- and post-technical processes) to identify key features. (5) Effect-Directed Analysis (EDA) and Virtual Effect-Directed Analysis (vEDA) prioritization to link chemical features to biological effects. (6) Prediction-based prioritization such as quantitative structure-property relationships (QSPR) and machine learning to estimate risk or concentration levels, and (7) Pixel- or tile-based analysis where the chromatographic image (2D data) is used to pin-point regions of interest or for comparison of larger sample sets.</div><div>By integrating these prioritization strategies, this tutorial provides a structured foundation to evaluate both identified and unidentified features, prioritize high-risk compounds, and advance environmental risk assessment and regulatory decision-making.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465944"},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of wood treatment effectiveness using thermal desorption-pyrolysis gas chromatography-mass spectrometry","authors":"Nafisa Bala ,&nbsp;Stephen Fisher ,&nbsp;Ben Wallace ,&nbsp;Evguenii Kozliak ,&nbsp;Alena Kubátová","doi":"10.1016/j.chroma.2025.465918","DOIUrl":"10.1016/j.chroma.2025.465918","url":null,"abstract":"<div><div>A thermal desorption-pyrolysis gas chromatography with mass spectrometric detection (TD-Pyr-GC–MS) method was developed that enables a comprehensive analysis of preservatives as well as native wood constituents in treated wood. The developed method is based on thermal desorption, i.e., extraction of wood preservatives, followed by pyrolysis to investigate changes in the occurrence of characteristic wood building blocks (e.g., guaiacol derivatives). We implemented combined MS data acquisition (i.e., SITI) consisting of selected ion monitoring (SIM) and total ion current (TIC) and allowing for low limits of detection of preservatives in SIM mode and TIC detection of any evolving species. The matrix detection limits were 0.3–20 ng depending on the preservative, requiring only 100 <em>µ</em>g sample size. The method quantified wood preservatives in aged wood samples in various states of deterioration in a range of 18–166 <em>µ</em>g/g. A decline in the concentration of some of the target preservatives, like tebuconazole, in the environmentally weathered samples was observed as compared to those less aged, while some persisted, such as permethrin. We also noted changes in the occurrence of long-chain linear alkanes (C₂₀–C₂₅) used as preservative solvents providing insights into the nature of wood decay as a result of long-term environmental exposure. Finally, the method provided elution profiles of wood extractives, i.e., products of native wood polymer (lignin) pyrolytic decomposition. The observed wood decay did not show a conclusive relationship with the level of wood extractives but occurred along with the gradual depletion of hydrocarbons (treatment solvent), most likely due to restriction in preservatives’ mobility within the wood.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465918"},"PeriodicalIF":3.8,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determination of haloacetic acids in municipal tap water and swimming pool water using portable capillary liquid chromatography – mass spectrometry","authors":"Ibraam E. Mikhail ,&nbsp;Shing Chung Lam ,&nbsp;Lewellwyn J. Coates ,&nbsp;Estrella Sanz Rodriguez ,&nbsp;Andrew Gooley ,&nbsp;Brett Paull","doi":"10.1016/j.chroma.2025.465941","DOIUrl":"10.1016/j.chroma.2025.465941","url":null,"abstract":"<div><div>In this study, a compact capillary liquid chromatography (capLC) system (&lt;10 Kg) has been coupled with two small-footprint and portable single quadrupole mass spectrometers (&lt;35 Kg) for the analysis of haloacetic acids (HAAs) in water samples. The portable capillary liquid chromatograph was equipped with a polar-modified C₁₈ column (100 × 0.5 mm, particle size: 3 μm) and utilised gradient elution with 0.05 % formic acid and methanol to selectively separate and quantify the 9 HAAs (HAA9) recommended for monitoring by United States Environmental Protection Agency (USEPA). The successful quantification of HAA9 was accomplished using a portable capLC-ESI-MS system with a single quadrupole mass analyser for the first time without the addition of ion-pairing agents. Direct injection was applied to analyse HAA9 in tap and swimming pool water using the system incorporating the Shimadzu LCMS-2050 mass spectrometer. The limits of the detection (LODs) attained using the capLC-MS system were below the maximum contamination level (MCL), 60 µg/L, set by USEPA for the five most common HAAs in drinking water (HAA5). Dichloroacetic acid (DCAA) was detected in local tap water at the level of 5.3 µg/L, while 142.4 µg/L and 311.4 µg/L of DCAA and trichloroacetic acid (TCAA), respectively, were determined in local swimming pool water. The small-footprint capLC-MS system is compatible with the on-site analysis within water treatment plants and provides a cost-effective and green solution for the quantification of HAA9.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1751 ","pages":"Article 465941"},"PeriodicalIF":3.8,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}