Green Analytical Chemistry最新文献_第2页

Recent advances in high-throughput green analytical testing technologies for food inspection 食品检验中高通量绿色分析检测技术的最新进展

IF 6.2

Green Analytical Chemistry Pub Date : 2025-08-13 DOI: 10.1016/j.greeac.2025.100292

Yingxin Sun , Yi Sun , Jilei Zhao , Huiru Xie , Qianyi Yang , Zi Long , Weiyang Tang , Chong Duan

{"title":"Recent advances in high-throughput green analytical testing technologies for food inspection","authors":"Yingxin Sun , Yi Sun , Jilei Zhao , Huiru Xie , Qianyi Yang , Zi Long , Weiyang Tang , Chong Duan","doi":"10.1016/j.greeac.2025.100292","DOIUrl":"10.1016/j.greeac.2025.100292","url":null,"abstract":"<div><div>Timely and reliable detection of contaminants such as microorganisms, environmental contaminants, and adulterant is of paramount importance to ensure food quality. With the growing demand for sustainable and efficient food inspection practices, high-throughput green analytical testing technologies (HT-GATTs) have garnered significant attention for food safety inspections due to their higher detection efficiency, lower resource consumption, environmentally friendly etc. advantages, making it an excellent tool for various food inspection applications and a comprehensive reviewer article to summarize the latest achievements is urgent required. This review provides a comprehensive overview of the recent five years’ developments and applications of HT-GATTs in food inspection, especially the detection of food contaminants by chromatography, spectroscopy and microfluidics. We also discussed the background and key features of HT-GATTs, emphasizing their advantages and limitations, particularly in terms of solvent usage and the selection of an appropriate detection platform to achieve high-throughput and rapid testing. Finally, we summarize the current challenges and look ahead to future potential trends on HT-GATTs, providing insights into future research and development directions in this field to foster continuous innovation and address emerging food safety issues.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"14 ","pages":"Article 100292"},"PeriodicalIF":6.2,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144887587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Real-time monitoring of tea volatiles using soft ionization by chemical reaction in transfer with an online sampling interface 利用化学反应转移软电离对茶叶挥发物进行实时监测，并提供在线采样界面

Green Analytical Chemistry Pub Date : 2025-07-12 DOI: 10.1016/j.greeac.2025.100290

Tiange Gu , Jingyi Sun , Saiting Wang , Xiaokun Duan , Hongli Li , Charles Liu , David Da Yong Chen

{"title":"Real-time monitoring of tea volatiles using soft ionization by chemical reaction in transfer with an online sampling interface","authors":"Tiange Gu , Jingyi Sun , Saiting Wang , Xiaokun Duan , Hongli Li , Charles Liu , David Da Yong Chen","doi":"10.1016/j.greeac.2025.100290","DOIUrl":"10.1016/j.greeac.2025.100290","url":null,"abstract":"<div><div>Characterization of tea volatile substances is important for tea quality assessment, flavor evaluation, and manufacturing process control. In this work, an online monitoring system was developed and directly coupled with soft ionization by chemical reaction in transfer (SICRIT) ion source. Tea samples were roasted online at 160 °C, and the generated vapors were transferred to the SICRIT source for real-time ionization and high-resolution mass spectrometry (MS) detection. The results showed progressive release of numerous volatile compounds during the roasting process. Distinctive mass spectral profiles were observed at different time intervals, and teas with varying fermentation degrees exhibited different chemical fingerprints. The detected compounds included <em>N</em>-heterocyclics, esters, amines, alcohols, amino acids. Some are characteristic tea flavor compounds while others are Maillard reaction products. Multivariate data analysis clearly differentiated tea samples based on the acquired mass spectral data. With its miniaturized design and simple operation, SICRIT demonstrated excellent performance for direct analysis of odor compounds. The integrated SICRIT-MS system enabled direct, real-time analysis of volatile compounds through continuous vapor generation, transfer, and ionization, providing a simple and efficient analytical approach that requires no sample pretreatment or front-end separation.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"14 ","pages":"Article 100290"},"PeriodicalIF":0.0,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144665923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Simultaneous analysis of creatinine and uric acid in human urine samples using mean centering, ratio subtraction, and derivative spectrophotometric techniques as a green analytical protocol 同时分析人体尿液样本中的肌酐和尿酸使用平均定心，比率减法和导数分光光度法技术作为绿色分析方案

Green Analytical Chemistry Pub Date : 2025-07-07 DOI: 10.1016/j.greeac.2025.100289

Dashty K. Ali , Hemn A. Qader , Nabil A. Fakhre

{"title":"Simultaneous analysis of creatinine and uric acid in human urine samples using mean centering, ratio subtraction, and derivative spectrophotometric techniques as a green analytical protocol","authors":"Dashty K. Ali , Hemn A. Qader , Nabil A. Fakhre","doi":"10.1016/j.greeac.2025.100289","DOIUrl":"10.1016/j.greeac.2025.100289","url":null,"abstract":"<div><div>Four rapid, accurate, and straightforward derivative spectrophotometric methods were developed to quantify a binary mixture of creatinine (CRT) and uric acid (UA) in human urine samples. The first technique was based on a zero-crossing technique for first-derivative spectrophotometry. The second technique was based on the first derivative of the ratio spectra. The third technique was based on the ratio subtraction method. The fourth technique was based on the mean centring of ratio spectra. There are no prior separation processes in these methods. The calibration graphs for the four spectrophotometric techniques are linear in the concentration ranges 1.0 – 16.0 µg/mL and 2.0 – 15.0 µg/mL for CRT and UA, respectively. CRT determines the selected wavelength 261.71 nm zero-crossing point for UA, while UA can be chosen at 234 and 282 nm zero-crossing points of CRT. The limit of detection ranged from 0.025 µg/mL to 0.330 µg/mL, and the limit of quantification was 0.076 µg/mL to 0.998 µg/mL for CRT and 0.115 µg/mL to 0.622 µg/mL and 0.176 µg/mL to 1.885 µg/mL for UA. The recoveries ranged from 97.93 – 103.07 % for CRT and 97.03 –102.11 % for UA, with relative standard deviations of <4.55 % and 2.07 % for CRT and UA, respectively. With a one-way ANOVA, the results of the suggested procedures were compared. The outcomes didn't reveal any appreciable variations among the proposed methods. The greenness of the methods compared with the literature using white analytical chemistry, analytical greenness, and green analytical procedure index, where the results indicated that the proposed methods were greener than the literature methods.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"14 ","pages":"Article 100289"},"PeriodicalIF":0.0,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Natural deep eutectic solvent as an efficient extractant for fast and ligandless vortex-assisted dispersive liquid–liquid microextraction of thallium 天然深层共晶溶剂是快速无配体涡辅助分散液-液微萃取铊的有效萃取剂

Green Analytical Chemistry Pub Date : 2025-06-25 DOI: 10.1016/j.greeac.2025.100287

Tanya Yordanova , Elisaveta Mladenova , Vasil Andruch , Alina Kalyniukova , Vyara Velcheva

{"title":"Natural deep eutectic solvent as an efficient extractant for fast and ligandless vortex-assisted dispersive liquid–liquid microextraction of thallium","authors":"Tanya Yordanova , Elisaveta Mladenova , Vasil Andruch , Alina Kalyniukova , Vyara Velcheva","doi":"10.1016/j.greeac.2025.100287","DOIUrl":"10.1016/j.greeac.2025.100287","url":null,"abstract":"<div><div>A hydrophobic natural deep eutectic solvent (NADES) composed of lauric acid, thymol, and camphor at a molar ratio of 1:3:1 was utilized for the first time as an extractant for the dispersive liquid–liquid microextraction of Tl(I) in water samples. Excellent extraction efficiency was achieved by adding 500 µL of NADES into a water sample of pH 11–12, followed by vortex mixing for 30 s at 500 rpm to avoid the use of any dispersing and chelating agents. The concentration of Tl(I) in the NADES phase was measured by flame atomic absorption spectrometry (FAAS) after ethanolic dilution. The limits of detection and quantification were found to be 9 μg <em>L</em><sup>−1</sup> and 31 μg <em>L</em><sup>−1</sup>, respectively. The applicability of the proposed method was confirmed by the analytical recoveries (97–106 %) obtained from the analysis of spiked samples of tap, bottled, and surface waters, while reproducibility, expressed as RSD, was below 9 %. The Blue Applicability Grade Index (BAGI) and Click Analytical Chemistry Index (CACI) were used to evaluate the practical utility of the method. The greenness assessment using the AGREE, AGREEprep and MoGAPI metric tools showed that the method complies with the principles of Green Analytical Chemistry.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"14 ","pages":"Article 100287"},"PeriodicalIF":0.0,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144523511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sustainable science or business as usual? Exploring awareness and actions in German University Laboratories 可持续发展的科学还是一如既往的商业？探索意识和行动在德国大学实验室

Green Analytical Chemistry Pub Date : 2025-06-25 DOI: 10.1016/j.greeac.2025.100288

Caterina Baars, Patrycja Karwasiecka, João Henrique Paulino Pires Eustachio, Andrea Dobri, Jelena Barbir, Sven Kannenberg, Walter Leal Filho

{"title":"Sustainable science or business as usual? Exploring awareness and actions in German University Laboratories","authors":"Caterina Baars, Patrycja Karwasiecka, João Henrique Paulino Pires Eustachio, Andrea Dobri, Jelena Barbir, Sven Kannenberg, Walter Leal Filho","doi":"10.1016/j.greeac.2025.100288","DOIUrl":"10.1016/j.greeac.2025.100288","url":null,"abstract":"<div><div>As sustainability research covers many disciplines, it is important to understand how sustainable research itself is. Previous studies have shown that laboratories, a core infrastructure of research, consume a large number of resources. However, overall understanding and identification of actions that can improve the current situation is rather unclear due to a large data gap on the opinions and attitudes of staff and students within institutions. This study explored sustainable actions among laboratory staff and students in a sample of German universities, in the categories of materials, devices, procurement, waste disposal, and awareness. For this purpose, a mixed-method approach was applied, consisting of a quantitative survey answered by 81 laboratories, and a qualitative interview conducted within 9 different universities. One of the key findings is that the inclusion of more sustainable laboratory activities (e.g. efficient waste and equipment management) was mostly undertaken by the laboratory staff themselves, which led to many bottom-up approaches. However, the necessary framework from the administration and institutional support is often missing or is rather limited, which hinders progress in existing initiatives and to take advantage of their great potential. To achieve effective change, it is essential to engage all stakeholders in the institution, laboratory personnel, and institutional administrators. The findings provide valuable insights into the landscape of German university laboratories and their actions and highlight potential areas for structural intervention to make the laboratory operations in universities more sustainable.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"14 ","pages":"Article 100288"},"PeriodicalIF":0.0,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Non-enzymatic detection of glucose-ketone ratio via formation of different floral honeys-capped silver nanoparticles and iron-acetate complexes on 3D-connector microfluidic paper-based analytical devices 在3d连接微流控纸基分析装置上，通过不同花蜜包覆银纳米颗粒和醋酸铁配合物形成葡萄糖-酮比的非酶检测

Green Analytical Chemistry Pub Date : 2025-06-06 DOI: 10.1016/j.greeac.2025.100286

Ahmad Luthfi Fahmi , Saidun Fiddaroini , Krista Firdaus Suwarno Putri , Kamila Rohadatul ‘Aisy , Hafidho Emilia Fatmah , Elizabeth Thea Vania Setiawan , Mentari Setia Chandra , Hani Susianti , Akhmad Sabarudin

{"title":"Non-enzymatic detection of glucose-ketone ratio via formation of different floral honeys-capped silver nanoparticles and iron-acetate complexes on 3D-connector microfluidic paper-based analytical devices","authors":"Ahmad Luthfi Fahmi , Saidun Fiddaroini , Krista Firdaus Suwarno Putri , Kamila Rohadatul ‘Aisy , Hafidho Emilia Fatmah , Elizabeth Thea Vania Setiawan , Mentari Setia Chandra , Hani Susianti , Akhmad Sabarudin","doi":"10.1016/j.greeac.2025.100286","DOIUrl":"10.1016/j.greeac.2025.100286","url":null,"abstract":"<div><div>Obesity is a significant risk factor for diabetes mellitus, a metabolic disorder often managed through ketogenic diets that enhance ketogenesis. However, excess ketone accumulation can lead to ketoacidosis, a serious complication in diabetes. Accurate monitoring of the glucose-ketone ratio (GKR) is crucial for evaluating ketogenic diets. This study introduces the 3D-Connector microfluidic paper-based analytical devices (3D-µPADs) for GKR measurement in artificial urine, providing enhanced accuracy and precision. The 3D-Connector innovation reduces capillary diffusion, minimizing cross-contamination between samples and reagents while optimizing analyte distribution. The device supports non-enzymatic glucose and ketone (acetoacetate) detection; glucose is assessed through silver nanoparticles (AgNPs) synthesis stabilized by various floral honey types, and acetoacetate is measured via iron-acetate complex formation. This study further investigates the efficiency of different floral honey as capping agents for AgNPs formation, aiming to improve the accuracy and reproducibility of GKR detection. AgNPs are characterized using ATR-FTIR and UV–Vis spectrophotometry, while ImageJ is utilized to quantify colorimetric reaction distances on µPADs. Optimized parameters identified rambutan honey as the most effective for GKR detection on 3D-µPADs, with optimum conditions of 10 % (v/v) honey, 60 mM silver nitrate, 1 M glycine in pH 9.4 phosphate buffer, and a 15 min reaction time. Validation of this method confirmed excellent linearity (R² = 0.9971), high precision (RSD = 2.85 %) and accuracy (93.40–99.83 %), with limits of detection and quantification of 5.16 and 15.63 mM/dM, respectively.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"14 ","pages":"Article 100286"},"PeriodicalIF":0.0,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144241568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development and validation of a retracted thin film solid phase microextraction device for time weighted average monitoring of artificial sweeteners concentration in surface waters 用于地表水人工甜味剂浓度时间加权平均监测的缩回式薄膜固相微萃取装置的研制与验证

Green Analytical Chemistry Pub Date : 2025-06-01 DOI: 10.1016/j.greeac.2025.100282

Diana M. Cárdenas-Soracá , Hiruy Haile , Emir Nazdrajić , Janusz Pawliszyn

{"title":"Development and validation of a retracted thin film solid phase microextraction device for time weighted average monitoring of artificial sweeteners concentration in surface waters","authors":"Diana M. Cárdenas-Soracá , Hiruy Haile , Emir Nazdrajić , Janusz Pawliszyn","doi":"10.1016/j.greeac.2025.100282","DOIUrl":"10.1016/j.greeac.2025.100282","url":null,"abstract":"<div><div>A retracted thin-film solid phase microextraction device was used as a passive sampler to monitor the time-weighted average concentration of artificial sweeteners (AS) in Grand River, Ontario, Canada. Laboratory and field calibration were performed to determine differences in the estimated sampling rate values. Laboratory sampling rates ranged from 0.0033 mL day<sup>-1</sup> for neohesperidin dihydrochalcone to 0.0075 mL day<sup>-1</sup> for saccharin. Sampler devices were deployed for 30 days downstream of a municipal wastewater treatment plant in the Grand River, Ontario, Canada. Linear accumulation for four AS was observed (R<sup>2</sup>>0.9363) in the sampling devices over 30 days, and in-situ sampling rates were between 0.0045 ± 0.0002 for sucralose and 0.0070 ± 0.0009 mL day<sup>-1</sup> for acesulfame. The estimated sampling rates for the river and laboratory exhibited <20 % deviation from the theoretical values. Simultaneously, water samples from the Grand River were collected to determine the concentration levels of artificial sweeteners. The concentration of acesulfame, saccharin, cyclamate, aspartame, and sucralose in the Grand River ranged from 0.13 to 26.5 ng mL<sup>-1</sup>. The validation results indicated that this device is suitable for long-term monitoring of AS in surface waters.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"13 ","pages":"Article 100282"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144190194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Green analytical chemistry methods for ecotoxicological studies: Challenges and recommendations 生态毒理学研究的绿色分析化学方法：挑战和建议

Green Analytical Chemistry Pub Date : 2025-06-01 DOI: 10.1016/j.greeac.2025.100266

Paolo Pastorino , Damià Barceló

{"title":"Green analytical chemistry methods for ecotoxicological studies: Challenges and recommendations","authors":"Paolo Pastorino , Damià Barceló","doi":"10.1016/j.greeac.2025.100266","DOIUrl":"10.1016/j.greeac.2025.100266","url":null,"abstract":"<div><div>Pollution from industrial, agricultural, and pharmaceutical activities poses significant challenges to ecosystems worldwide. While environmental monitoring and ecotoxicological assessments are essential, traditional analytical and toxicity testing methods often rely on large amounts of chemicals, generate waste, and involve animal testing, raising concerns about the environmental footprint of research itself. The Virtual Special Issue (VSI) “Green analytical chemistry methods for ecotoxicological studies: challenges and recommendations”, published in Green Analytical Chemistry, received six contributions from India, Italy, Serbia, and South Africa, highlighting sustainable alternatives in ecotoxicological research. The studies addressed critical topics such as reusing spent adsorbents in wastewater treatment, promoting ethical alternatives to animal testing, improving risk assessment of pharmaceuticals and pesticides, and advancing microplastic detection. Reviews and case studies also explored computational toxicology, high-throughput testing, and multi-biomarker approaches to evaluate nanoparticle toxicity in aquatic organisms. Together, these contributions demonstrate the growing commitment to reducing the environmental impact of analytical practices. Future directions for green ecotoxicology include standardizing methods, incorporating life cycle assessments of analytical procedures, and leveraging computational tools and omics technologies. Cross-disciplinary collaboration will be essential to address emerging contaminants and ensure more sustainable, ethical, and effective environmental monitoring and risk assessment strategies.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"13 ","pages":"Article 100266"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144255275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Metabolomics fingerprinting of Egyptian calendula (Calendula officinalis L.) essential oil and absolute by direct infusion into rapid evaporative ionization mass spectrometry 快速蒸发电离质谱法测定埃及金盏菊精油和绝对精油的代谢组学指纹图谱

Green Analytical Chemistry Pub Date : 2025-06-01 DOI: 10.1016/j.greeac.2025.100285

Domenica Mangraviti , Francesca Rigano , Emanuela Trovato , Federica Vento , Hussein Fakhry , Paola Dugo , Luigi Mondello

{"title":"Metabolomics fingerprinting of Egyptian calendula (Calendula officinalis L.) essential oil and absolute by direct infusion into rapid evaporative ionization mass spectrometry","authors":"Domenica Mangraviti , Francesca Rigano , Emanuela Trovato , Federica Vento , Hussein Fakhry , Paola Dugo , Luigi Mondello","doi":"10.1016/j.greeac.2025.100285","DOIUrl":"10.1016/j.greeac.2025.100285","url":null,"abstract":"<div><div>The present research is intended to provide a rapid and thorough method for the detection and characterization of the metabolites present in <em>Calendula officinalis</em> L. derived products, avoiding long analysis times and use of excessive amounts of solvents and energy, with a significant reduction of waste generation. Rapid Evaporative Ionization Mass Spectrometry (REIMS) was explored as ambient ionization source, coupled with a quadrupole-time of flight (Q-ToF) high-resolution tandem MS detector to enhance identification capability. Samples were introduced in REIMS-Q-ToF system by direct infusion excluding clean-up procedures and chromatographic separations. A characteristic fingerprint of the samples was obtained in a very short time (30–60 s). A huge number of phytochemical compounds belonging to different chemical classes was detected by matching the mass accuracy data in commercial and online database. Conventional gas and liquid chromatography analysis were also used as confirmatory methods. The adherence of the developed REIMS-Q-ToF method to green chemistry principles was quantitatively estimated and compared with conventional chromatographic techniques. For this purpose, different greenness evaluation tools (Analytical greenness metric (AGREE) and Modified Complementary Green Analytical Procedure Index (ComplexMoGAPI)) were applied along with Blue applicability grade index (BAGI) for practicality evaluation.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"13 ","pages":"Article 100285"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144202456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrated smart mass spectrometry platform enables volatilomics based breath biopsy 集成的智能质谱分析平台可实现基于挥发物的呼吸活检

Green Analytical Chemistry Pub Date : 2025-06-01 DOI: 10.1016/j.greeac.2025.100284

Shangzhewen Li , Zhiheng Yu , Zhengnan Cen , Xiang Li

{"title":"Integrated smart mass spectrometry platform enables volatilomics based breath biopsy","authors":"Shangzhewen Li , Zhiheng Yu , Zhengnan Cen , Xiang Li","doi":"10.1016/j.greeac.2025.100284","DOIUrl":"10.1016/j.greeac.2025.100284","url":null,"abstract":"<div><div>Exhaled volatile organic compounds (VOCs) hold great promise as non-invasive biomarkers for disease diagnosis. However, conventional exhaled VOCs sampling and analytical methods suffer from significant limitations in background noise, sample stability, sensitivity, and resolution. Moreover, shared VOCs signatures across different diseases poses challenges to accurate diagnosis within single-disease models. These limitations hinder accurate profiling of the full spectrum of trace VOCs and constrain their large-scale clinical application. To address this technological gap, we developed a comprehensive exhaled VOCs analysis platform integrating a self-developed BreathScope sampler and a GC × GC-TOF MS/FID detection system, complemented by optimized sampling strategies and standardized workflows. Compared with conventional methods, BreathScope enhanced both the diversity and concentration of captured VOCs by precisely targeting end-tidal breath, effectively reducing interference from exogenous compounds. The analytical system successfully identified hundreds of trace VOCs, demonstrating high quantitative accuracy (R² > 0.97), precision (RSD < 10 %), with a detection and quantitation limit at the ng/L level. Additionally, we identified the optimal sample volume and demonstrated the impact of confounding factors on VOC profiles, highlighting the necessity for standardized sampling protocols. Utilizing exhaled VOCs data from 509 subjects, we constructed a multi-class random forest model for risk assessment of colorectal, gastric, and brain cancers, achieving AUROC values of 0.98–0.99, with sensitivity and specificity exceeding 0.95. Altogether, our platform integrates high-fidelity breath collection, trace VOCs quantification, and AI-driven disease prediction, thereby enhancing the utility and standardization of breath biopsy for early disease screening and offering a reproducible technological framework for non-invasive precision medicine.</div></div>","PeriodicalId":100594,"journal":{"name":"Green Analytical Chemistry","volume":"14 ","pages":"Article 100284"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144241567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0