Elsevier最新文献_第3页

Analysis of gunshot residue from nontoxic ammunition by laser-induced breakdown spectroscopy and machine learning algorithms. 基于激光诱导击穿光谱和机器学习算法的无毒弹药射击残留物分析。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-18 DOI: 10.1016/j.talanta.2025.128483

Rodrigo Wenceslau, Jader S Cabral, Gabriel da Silva Souza, Felipe Lopes Rodrigues Silva, Giorgio S Senesi, Edenir Rodrigues Pereira-Filho, Cicero Cena, Matheus Cicero Ribeiro, Bruno S Marangoni

{"title":"Analysis of gunshot residue from nontoxic ammunition by laser-induced breakdown spectroscopy and machine learning algorithms.","authors":"Rodrigo Wenceslau, Jader S Cabral, Gabriel da Silva Souza, Felipe Lopes Rodrigues Silva, Giorgio S Senesi, Edenir Rodrigues Pereira-Filho, Cicero Cena, Matheus Cicero Ribeiro, Bruno S Marangoni","doi":"10.1016/j.talanta.2025.128483","DOIUrl":"10.1016/j.talanta.2025.128483","url":null,"abstract":"Gunshot residue (GSR) is defined as particles generated upon the discharge of ammunition from a firearm. The main components of ammunition include the primer, cartridge case, and bullet. GSR particles originated from a combination of these components as well as from internal firearm parts. For conventional ammunition, GSR can be reliably identified by detecting Pb, Ba, and Sb using scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS). In contrast, GSR from nontoxic ammunition lacks these markers, making SEM-EDS detection ineffective. Laser-induced breakdown spectroscopy (LIBS) was used to analyze GSR-NTA particles collected directly from shooters' hands to identify potential chemical fingerprints. Spectra were acquired across two spectral ranges (186-1042 nm and 186-570 nm), and elements such as H, N, O, C, Ti, Zn, Cu, Ba, Sr, Fe, Mg, and Al were detected. Multivariate analysis and machine learning (ML) algorithms were applied. The dataset was divided into training and external validation sets, with linear discriminant analysis (LDA) achieving 100 % classification accuracy. Spectral analysis revealed that Zn, Ti, Cu, and Fe were the primary elements responsible for sample differentiation, with minor contributions from Ba and Sr. In conclusion, the combination of LIBS and ML shows potential as a forensic tool for identifying GSR-NTA particles on the hands of individuals who have, or have not, discharged a firearm.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128483"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Closed-vessel conductively heated digestion system with diluted nitric acid for the preparation of biomass and biochar samples. 用稀释硝酸制备生物质和生物炭样品的密闭容器传导加热消化系统。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-28 DOI: 10.1016/j.talanta.2025.128488

Evilim Martinez Oliveira, Edilene Cristina Ferreira, José Anchieta Gomes Neto, Alex Virgilio

{"title":"Closed-vessel conductively heated digestion system with diluted nitric acid for the preparation of biomass and biochar samples.","authors":"Evilim Martinez Oliveira, Edilene Cristina Ferreira, José Anchieta Gomes Neto, Alex Virgilio","doi":"10.1016/j.talanta.2025.128488","DOIUrl":"10.1016/j.talanta.2025.128488","url":null,"abstract":"A method using a closed-vessel conductively heated digestion system (CHDS) was developed for preparing lignocellulosic biomass and biochar samples for elemental analysis by inductively coupled plasma optical emission spectrometry (ICP-OES). The use of 1 mL of H2O2 plus 2 mL of HNO3 3.5 mol L-1 was suitable to produce clear digests for determining Al, C, Cu, Fe, K, Mg, Mn, P, S, and Zn. The performance of the method was evaluated by analyzing certified reference materials and reference materials. Most CHDS results were in agreement with reference values at a 95 % confidence level (t-test). The method was subsequently applied to the analysis of biomass samples as renewable energy sources (leucaena, pine, sorghum, sugarcane, bamboo, eucalyptus, elephant grass) and their respective biochars. The relative standard deviations (n = 3) were in the 1-15 % range, and the concentration of analytes (in mg kg-1) were between 52.3 and 3666 (Al), 5.1-15.7 (Cu), 66.6-2133 (Fe), 2691-35391 (K), 864-3275 (Mg), 29.9-559.1 (Mn), 407-3219 (P), 423-2661 (S) and 10.2-66.9 (Zn). Residual carbon contents in digests (935-1907 mg L-1) were considered acceptable for ICP determinations (<2000 mg L-1 C). The analytical greenness metric for sample preparation (AGREEprep) was used for the assessment of the proposed CHDS procedure, and the final score of 0.53 was higher than the values reported in similar applications in the literature employing CHDS (0.48), microwave-assisted digestion (0.46), and classical wet (0.23) and dry-ashing (0.30) methods. The proposal aligns with Green Analytical Chemistry (GAC) principles, highlighting its environmental and sustainability benefits for biomass and biochar analysis.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128488"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Corrigendum to "Addressing the inhibition of Au-S bonding on glucose oxidase-like activity: BSA@Au/MoS₂-COOH for tandem enzyme-based colorimetric detection of glucose" [Talanta, Volume 296, 1 January 2026, 128420]. “解决Au-S结合对葡萄糖氧化酶样活性的抑制：BSA@Au/MoS2-COOH用于串联酶基比色检测葡萄糖”的勘误[Talanta，第296卷，2026年1月1日，128420]。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-08-28 DOI: 10.1016/j.talanta.2025.128593

Yingjiao Zhai, Yu Zhang, Fujun Liu, Wenhui Fang, Jinhua Li, Mingze Xu, Shuming Chen, Hao Zeng

引用次数: 0

A novel colorimetric detection based on bifunctionalized gold nanoparticle combined with machine learning and deep learning models to identify microbial transglutaminase in foods. 基于双功能化金纳米颗粒结合机器学习和深度学习模型的新型比色检测方法鉴定食品中的微生物转谷氨酰胺酶。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-30 DOI: 10.1016/j.talanta.2025.128533

Shihong Li, Xia Liu, Xu Geng, Weiwei Han, Tao Li

{"title":"A novel colorimetric detection based on bifunctionalized gold nanoparticle combined with machine learning and deep learning models to identify microbial transglutaminase in foods.","authors":"Shihong Li, Xia Liu, Xu Geng, Weiwei Han, Tao Li","doi":"10.1016/j.talanta.2025.128533","DOIUrl":"10.1016/j.talanta.2025.128533","url":null,"abstract":"Microbial transglutaminase (mTG) is widely used in the food industry to enhance the appearance and texture of meat and fish products, as well as the smoothness and richness of dairy products. However, the undisclosed excessive addition of mTG contributes to various health issues, including celiac disease with intestinal leakage, anemia, osteoporosis, dermatitis, and other parenteral symptoms. In this study, we developed a novel method combining gold nanoparticles (AuNPs), machine learning, and deep learning to study mTG activity in both aqueous solutions and diverse processed foods. Our results demonstrate that this colorimetric method, based on bifunctionalized AuNPs, exhibits sufficient sensitivity to detect pure mTG down to 0.01U and spans a detection range from 0.01U to 1U. Based on the colorimetric changes of gold nanoparticles, we constructed a dataset of 648 mTG concentration-absorbance data points from 6 different food types. We employed machine learning algorithms, including Decision Tree (DT), Random Forest (RF), and Multilayer Perceptron (MLP), to predict mTG concentration based on the colorimetric signal in various foods. Notably, the MLP model achieved a high prediction accuracy of 0.96. Blind tests on six types of supermarket-purchased meat, seafood, and dairy products showed predictions consistent with expected mTG levels. This study establishes an efficient strategy for the identification and prediction of mTG activity in a wide range of food products.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128533"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Phenanthrenes as anti-liver cancer agents: A computational pipeline to tubulin inhibition. 菲菲类抗肝癌药物：微管蛋白抑制的计算管道。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-25 DOI: 10.1016/j.talanta.2025.128504

Saida Meliani, Rafik Menacer, Emilio Benfenati

{"title":"Phenanthrenes as anti-liver cancer agents: A computational pipeline to tubulin inhibition.","authors":"Saida Meliani, Rafik Menacer, Emilio Benfenati","doi":"10.1016/j.talanta.2025.128504","DOIUrl":"10.1016/j.talanta.2025.128504","url":null,"abstract":"The rising incidence of liver cancer highlights the urgent need for novel therapies targeting crucial molecular mediators such as tubulin, a key protein involved in cancer cell proliferation. This study aims to address this need through a robust pipeline combining QSAR, molecular docking, dynamics, and ADME to identify new promising anti-liver-cancer agents, with a focus on virtual screening of purchasable Aldrich® Market Select phenanthrene analogs. A QSAR model with 92.7 % predictive accuracy highlighted HeavyAtomCount and Chi1n as pivotal structural descriptors correlating with anti-proliferative activity in HepG2 cells. Subsequently, QSAR-based virtual screening enabled the identification of top candidates based on their anti-proliferative potential. Virtual screening via molecular docking prioritized compound 31, which exhibited exceptional binding affinity (-8.684 kcal/mol) at tubulin's colchicine site. ADME profiling confirmed favorable pharmacokinetics and low BBB permeability for lead candidates. Molecular dynamics (MD) simulations (200 ns) further validated compound 31's stability, indicative of a tightly bound conformation. By integrating QSAR, docking, ADME, and MD, this work establishes a computationally rigorous pipeline for anticancer drug discovery, offering phenanthrene-based scaffolds as candidates for in vitro testing. These results not only elucidate structure-activity principles for tubulin inhibition but also provide a pipeline for accelerating drug discovery, especially novel anticancer agents.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128504"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 analytical methodology for the determination of cadmium bound to whey-proteins by laser-induced breakdown spectroscopy at low pressures. 低压激光诱导击穿光谱法测定乳清蛋白结合镉的分析方法。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-30 DOI: 10.1016/j.talanta.2025.128537

İlayda Yaman Erdoğrul, Şerife H Yalçın

{"title":"An analytical methodology for the determination of cadmium bound to whey-proteins by laser-induced breakdown spectroscopy at low pressures.","authors":"İlayda Yaman Erdoğrul, Şerife H Yalçın","doi":"10.1016/j.talanta.2025.128537","DOIUrl":"10.1016/j.talanta.2025.128537","url":null,"abstract":"In this study, a dried-droplet LIBS methodology for determining cadmium in cow milk has been developed. The performance of the methodology was shown by standard and real protein samples. A standard protein, bovine serum albumin (BSA), and whey protein extracted from skim cow milk were incubated in standard Cd solutions, and the complex solution was filtered through cut-off filters by centrifugation. The unreacted cadmium in the filtrate and Cd-bound protein in the filtered fraction were loaded separately onto a Si-wafer substrate and analyzed via dried-droplet LIBS methodology. Measurements were performed at reduced pressures by taking advantage of the signal enhancement effect. The optimum pressure for most Cd emission lines was found to be 100 mbar. It has been shown that the dried-droplet LIBS methodology at reduced pressures can be used for the identification and determination of free and protein-bound Cd in the whey matrix. The concentration-based detection limit of Cd bound to whey proteins was determined to be 20.2 ng mL-1, which corresponds to as low as 10 pg in absolute amount with a sample volume of 500 nL. The LOQ value is estimated as 67.3 ng mL-1 and 33.3 pg, in terms of concentration unit and absolute amount, respectively. The use of small sample volumes is important in the analysis of limited amounts of samples, such as body fluids. Preconcentration studies with multiple loadings of the sample on the same spot resulted in improvements in concentration-based detection. 8 ng mL-1 Cd in the whey matrix that could not be determined by a single droplet loading due to being below the detection limit; could be determined after 10 consecutive loadings. The methodology may also be applied to the determination of other toxic metals bound to proteins for food quality control.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128537"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144558725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Laser-induced breakdown spectroscopy coupled with machine learning for rapid quantification of Escherichia coli concentration. 激光诱导击穿光谱结合机器学习快速定量大肠杆菌浓度。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-27 DOI: 10.1016/j.talanta.2025.128522

Jingjing Wang, Jiahui Liang, Fei Chen, Runheng Yu, Zhihui Tian, Yang Zhao, Weiguang Ma, Lei Dong, Jiaxuan Li, Wangbao Yin, Liantuan Xiao, Suotang Jia, Lei Zhang

{"title":"Laser-induced breakdown spectroscopy coupled with machine learning for rapid quantification of Escherichia coli concentration.","authors":"Jingjing Wang, Jiahui Liang, Fei Chen, Runheng Yu, Zhihui Tian, Yang Zhao, Weiguang Ma, Lei Dong, Jiaxuan Li, Wangbao Yin, Liantuan Xiao, Suotang Jia, Lei Zhang","doi":"10.1016/j.talanta.2025.128522","DOIUrl":"10.1016/j.talanta.2025.128522","url":null,"abstract":"The rapid and accurate quantification of bacterial concentrations is essential for food safety monitoring, environmental surveillance, and clinical diagnostics. Traditional methods are often limited by lengthy procedures, complex operations, or high costs. This study developed a novel approach combing laser-induced breakdown spectroscopy (LIBS) with machine learning for rapid bacterial concentration analysis. Using Escherichia coli (E. coli) as a model organism, we systematically optimized key LIBS parameters including delay time, substrate material, and laser repetition rate to achieve optimal spectral quality. Three machine learning algorithms - support vector regression (SVR), gradient boosting regression (GBR), and kernel ridge regression (KRR) - were comparatively evaluated. The SVR model demonstrated superior performance with a coefficient of determination (R2) of 0.99, along with root mean square error (RMSE) of 7.3 × 105 cells/mL and mean absolute error (MAE) of 4.2 × 105 cells/mL, respectively. Method validation showed recovery rates ranging from 100.03 % to 100.83 %, with relative standard deviations (RSD) less than 2 %. The t-test confirmed no significant difference between the spiked concentrations and the detected concentrations (p > 0.05), indicating that the method possesses excellent accuracy and precision. This multi-feature integration approach effectively addressed the nonlinear correlation between spectral line intensity and bacterial concentration in LIBS quantification. The method offers significant advantages including minimal sample preparation and rapid analysis speed. These findings establish a reliable and efficient technique for microbial quantification with promising applications in food production facilities, healthcare settings, and ecological studies.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128522"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Multifunctional hydrogel with self-healing and recyclability based on self-catalytic Fe³⁺/TA system for sustainable E-skin application. 基于自催化Fe3+/TA体系的具有自修复和可回收性的多功能水凝胶，可用于可持续电子皮肤应用。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-30 DOI: 10.1016/j.talanta.2025.128531

Chenhao Wang, Qing Xin, Shangqing Liang, Jun Lin, Baidong Yao, Guoqing Yang

{"title":"Multifunctional hydrogel with self-healing and recyclability based on self-catalytic Fe3+/TA system for sustainable E-skin application.","authors":"Chenhao Wang, Qing Xin, Shangqing Liang, Jun Lin, Baidong Yao, Guoqing Yang","doi":"10.1016/j.talanta.2025.128531","DOIUrl":"10.1016/j.talanta.2025.128531","url":null,"abstract":"Hydrogel-based materials for e-skin applications have aroused tremendous attention due to their ability to simulate human skin's sensory capabilities and possess mechanical properties comparable to those of skin. When used as sensors attached to the skin, hydrogels are inevitably subject to damage, highlighting the need for self-healing properties. Furthermore, the lack of recyclability in traditional hydrogel sensors is detrimental to sustainability. To address this issue, we developed a hydrogel based on multiple noncovalent bonds and ferric ion/tannic acid redox system, combined with polyvinyl alcohol as a reinforcing skeleton and low polymerization of polyacrylic acid. This design endows the hydrogel with excellent self-healing properties, easy recyclability and enhanced mechanical properties. Additionally, as a strain sensor, it exhibits competitive performance including high sensitivity, rapid response time and excellent sensing stability. With these remarkable characteristics, the hydrogel demonstrates significant potential as a sensor for sustainable e-skin applications.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128531"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144558727","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Multimodal magnetic modulation QCM for motion-based detection of biomolecule concentration and base liquid viscosity. 多模态磁调制QCM用于基于运动的生物分子浓度和基液粘度检测。

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-30 DOI: 10.1016/j.talanta.2025.128532

Dongyu Chen, Yumei Wen, Ping Li, Can Zuo, Yao Wang, Zhiyi Wu

{"title":"Multimodal magnetic modulation QCM for motion-based detection of biomolecule concentration and base liquid viscosity.","authors":"Dongyu Chen, Yumei Wen, Ping Li, Can Zuo, Yao Wang, Zhiyi Wu","doi":"10.1016/j.talanta.2025.128532","DOIUrl":"10.1016/j.talanta.2025.128532","url":null,"abstract":"Accurate and synchronized assessment of biochemical parameters, such as biomarker concentration and body fluid viscosity, is crucial for advancing early disease detection and health management. Conventional biomolecular multiparameter detection methods often rely on multiple sensors or analytical techniques, which introduce cross-talk between sensing modalities, data inconsistencies, and complex calibration requirements, ultimately compromising detection precision and adaptability. We propose a streamlined detection approach that leverages a single uncoated Quartz Crystal Microbalance (QCM) sensor to monitor the dynamic magnetized motion of biomolecules under multimodal magnetic field modulation. Unlike conventional QCM methods that rely on static mass loading effects, this approach enables the sensor to capture motion signals that encode information about biomolecule concentration and base liquid viscosity. A backpropagation (BP) neural network is employed to model the nonlinear coupling between these motion-derived signal characteristics and the target biochemical parameters. The proposed method is validated using prostate-specific antigen (PSA) as a biomolecular model analyte. Experimental results from blind tests, where both concentration and viscosity were simultaneously unknown, demonstrate a prediction accuracy of 90 % for concentrations ranging from 0.01 to 1000 ng/mL and 87 % for viscosities between 1 and 6 cP. By integrating multimodal magnetic modulation with QCM-based motion sensing and machine learning, the BP-MMM-QCM technique provides a versatile and high-precision solution for biomolecule analysis. Accurate detection of biomolecule concentrations is essential for early disease diagnosis as well as monitoring disease progression and therapeutic responses. This approach overcomes the limitations of conventional QCM methods and enables real-time, multi-parameter detection in a single assay, making it a promising tool for disease diagnostics and health monitoring applications.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128532"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144558728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

A novel green HS/SPME-GC/NPD method for screening and quantification of nitrosamines in solid samples: Application to losartan tablets. 固体样品中亚硝胺的绿色HS/SPME-GC/NPD筛选定量方法：在氯沙坦片中的应用

IF 6.1 1区化学

Talanta Pub Date : 2026-01-01 Epub Date: 2025-06-23 DOI: 10.1016/j.talanta.2025.128514

Amanda Tavares Germano, Gustavo Amadeu Micke, Luciano Vitali

{"title":"A novel green HS/SPME-GC/NPD method for screening and quantification of nitrosamines in solid samples: Application to losartan tablets.","authors":"Amanda Tavares Germano, Gustavo Amadeu Micke, Luciano Vitali","doi":"10.1016/j.talanta.2025.128514","DOIUrl":"10.1016/j.talanta.2025.128514","url":null,"abstract":"The presence of nitrosamines (NAs) in pharmaceutical products represents a significant risk to patient health and can compromise the quality of products during manufacturing processes. This study proposes a direct analysis method for solid samples of losartan tablets to determine the presence of six NAs using headspace solid-phase microextraction (HS/SPME) coupled with gas chromatography and nitrogen-phosphorus detection (GC/NPD). This method provides a green, low-cost approach for screening and quantification in quality control laboratories. A DVB/Car/PDMS fiber was employed for extraction under optimized conditions, which included the analysis of four tablets, agitation at 250 rpm, an extraction time of 85 min, and a temperature of 45 °C. The performance of the method was evaluated, showing determination coefficients greater than 0.99 through solid-spiking matrix-matched calibration, with detection limits ranging from 0.0001 to 0.0157 mg kg-1, recovery rates between 79.7 % and 122.0 %, and precision values below 18.7 %. The validation parameters demonstrated excellent selectivity and sensitivity, confirming the efficacy of the method in identifying and quantifying mutagenic compounds in compliance with pharmaceutical regulatory guidelines. Among the thirteen tablets analyzed, two contained NDEA at levels exceeding regulatory limits, highlighting the effectiveness of the method. The environmental sustainability of the method was assessed using the Analytical GREEnness (AGREE) calculator, which confirmed its alignment with Green Chemistry principles. Moreover, this approach is applicable to other solid samples, including pure active pharmaceutical ingredients and finished pharmaceutical products.","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128514"},"PeriodicalIF":6.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144558724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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