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Highly selective ethanol vapour sensing materials for a new generation of gas sensors based on molecularly imprinted polymers. 基于分子印迹聚合物的新一代气体传感器的高选择性乙醇蒸汽传感材料。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-18 DOI: 10.1016/j.talanta.2024.126902
Todd Cowen, Sotirios Grammatikos, Michael Cheffena
{"title":"Highly selective ethanol vapour sensing materials for a new generation of gas sensors based on molecularly imprinted polymers.","authors":"Todd Cowen, Sotirios Grammatikos, Michael Cheffena","doi":"10.1016/j.talanta.2024.126902","DOIUrl":"10.1016/j.talanta.2024.126902","url":null,"abstract":"<p><p>A simple gas sensor consisting of a molecularly imprinted polymer-carbon nanotube composite cast onto a screen-printed electrode has been developed with extremely high selectivity for ethanol vapour over methanol vapour. Ethanol gas sensors typically display selectivity for ethanol over methanol in the range 2-4 times, while the mean ratio of ethanol to methanol response observed with the described device was 672. This selectivity was achieved under ambient conditions. Additionally, the molecularly imprinted polymer was produced using reagents previously applied in the development of a device selective for methanol, with only the template being changed. This demonstrates the versatility of molecular imprinting and provides a foundation for their greater integration into future gas sensors.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126902"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142278356","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
Paper-based multicolor sensor for on-site quantitative detection of organophosphate pesticides based on acetylcholinesterase-mediated paper-based Au3+-etching of gold nanobipyramids and CIELab color space. 基于乙酰胆碱酯酶介导的纸基 Au3+-蚀刻金纳米双锥体和 CIELab 色彩空间的有机磷农药现场定量检测纸基多色传感器。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-19 DOI: 10.1016/j.talanta.2024.126925
Feng Zhang, Yu Gao, Enxi Ren, Ling Fang, Weijuan Yang, Liaoyuan Zhang, Zongwen Wang
{"title":"Paper-based multicolor sensor for on-site quantitative detection of organophosphate pesticides based on acetylcholinesterase-mediated paper-based Au<sup>3+</sup>-etching of gold nanobipyramids and CIELab color space.","authors":"Feng Zhang, Yu Gao, Enxi Ren, Ling Fang, Weijuan Yang, Liaoyuan Zhang, Zongwen Wang","doi":"10.1016/j.talanta.2024.126925","DOIUrl":"10.1016/j.talanta.2024.126925","url":null,"abstract":"<p><p>On-site quantitative detection of organophosphorus pesticides (OPs) is crucial for safeguarding food and public safety. This study presents a novel acetylcholinesterase (AChE)-mediated paper-based Au<sup>3+</sup>-etching of gold nanobipyramids (AuNBPs) system. The system employs a long-term storable AuNBPs-deposited nylon membrane embedded within a portable and temperature-controlled paper-based analytical device. This system, coupled with a colorimeter-based quantitative method, enables the development of a practical paper-based multicolor sensor (PMS) for on-site quantitative detection of three common OPs (paraoxon, dichlorvos, and trichlorfon). In the absence of OPs, AChE hydrolyzes acetylthiocholine to thiocholine, which reduces Au<sup>3+</sup> to Au<sup>+</sup>. The presence of OPs inhibits AChE activity, thereby preserving Au<sup>3+</sup> to etch AuNBPs on nylon membranes, accompanied by multicolor changes. These color changes can be simply quantified by measuring the a∗ parameter of the CIELab color space using a portable colorimeter. Under optimal conditions, the PMS displayed eight OPs-corresponding color changes with a minimum detectable concentration of 1.0-10 μg/L (visual observation) and limits of detection of 0.8-7.2 μg/L (colorimeter) and 0.2-3.4 μg/L (UV-vis spectrometry). The PMS successfully determined the OPs in vegetable and rice samples with recoveries of 89.0-109 % and RSDs (n = 5) of <6 %. These results were consistent with those obtained using the HPLC-MS method. The PMS demonstrates excellent portability, AuNBPs stability, detection sensitivity, and reproducibility, making it a promising tool for the on-site quantitative detection of OPs residues in food. Furthermore, the paper-based etching system coupled with the colorimeter-based quantitative method provides a valuable reference to develop practical PMSs for various targets in diverse fields.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126925"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142278357","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
Preparation of hapten and monoclonal antibody of hesperetin and establishment of enzyme-linked immunosorbent assay. 制备七叶皂苷及单克隆抗体并建立酶联免疫吸附试验。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-18 DOI: 10.1016/j.talanta.2024.126912
Yifan Liu, Zihui Jin, Di Sun, Bo Xu, Tianyu Lan, Qiyang Zhao, Yue He, Jing Li, Yongliang Cui, Yaohai Zhang
{"title":"Preparation of hapten and monoclonal antibody of hesperetin and establishment of enzyme-linked immunosorbent assay.","authors":"Yifan Liu, Zihui Jin, Di Sun, Bo Xu, Tianyu Lan, Qiyang Zhao, Yue He, Jing Li, Yongliang Cui, Yaohai Zhang","doi":"10.1016/j.talanta.2024.126912","DOIUrl":"10.1016/j.talanta.2024.126912","url":null,"abstract":"<p><p>Hesperetin is the aglycone of hesperidin and is widely found in the Rutaceae plants and herbal medicines. It exhibits antioxidant, detoxifying, anti-inflammatory, and antimicrobial properties, similar to hesperidin. It has also shown potential in the regulation of certain diseases. In order to detect hesperetin in complex matrix samples such as citrus and herbal, we developed an anti-hesperetin monoclonal antibody and established an indirect competitive enzyme-linked immunosorbent assay (icELISA). The half maximal inhibitory concentration (IC<sub>50</sub>) was determined to be 2.03 ng/mL, the detection range was 0.39-12.73 ng/mL. In practical sample testing, the concentration of hesperidin measured by icELISA is consistent with the result of UPLC-MS/MS, and the correlation coefficient (R<sup>2</sup>) is 0.97. These results showed that the established method has good accuracy, reproducibility and broad application prospects, and can be used for the detection of hesperetin in complex matrix samples (such as citrus and herbal samples).</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126912"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142278358","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
Study of cell migration trajectory on two-dimensional continuous stiffness gradient surface edited by grayscale photopolymerization. 灰度光聚合编辑的二维连续刚度梯度表面上的细胞迁移轨迹研究
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-16 DOI: 10.1016/j.talanta.2024.126899
Kin Fong Lei, Kuo-Cheng Bai, Ping-Ching Pai
{"title":"Study of cell migration trajectory on two-dimensional continuous stiffness gradient surface edited by grayscale photopolymerization.","authors":"Kin Fong Lei, Kuo-Cheng Bai, Ping-Ching Pai","doi":"10.1016/j.talanta.2024.126899","DOIUrl":"10.1016/j.talanta.2024.126899","url":null,"abstract":"<p><p>In native tissues, cells encounter a diverse range of stiffness, which can significantly affect their behavior and function. The ability of cells to sense and respond to these mechanical cues is essential for various physiological processes, including cell migration. Cell migration is a complex process influenced by multiple factors, with substrate stiffness emerging as a critical determinant. This study developed a technique to edit the stiffness of polyacrylamide (PAA) hydrogel substrates by adjusting the grayscale level of a photomask during photopolymerization. By analyzing cell morphologies on the hydrogel, we confirmed the development of a single PAA hydrogel substrate with continuous stiffness gradients. This method was used to explore the correlation between substrate stiffness and cell migration dynamics. The study found that cells typically migrated from softer to stiffer surfaces. When the cells initially located on stiffer surfaces, they were able to travel longer distances. Additionally, a continuous 2D stiffness gradient surface was fabricated to explore how cells migrate on smoother versus steeper stiffness gradients. The results showed that cells tended to migrate more readily on smoother stiffness gradient surfaces compared to steeper ones. This study provides valuable insights into cell migration dynamics on substrates with varying stiffness gradients. The results underscore the importance of the mechanical environment in cancer cell migration and offer promising directions for developing interventions to prevent cancer spread.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126899"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142278405","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
Target-promoted activation of DNAzyme walker for in situ assembly of hemin/G-quadruplex nanowires enable ultrasensitive and label-free electrochemical myocardial microRNA assay. 靶标促进激活 DNAzyme walker 以原位组装 hemin/G-quadruplex 纳米线,从而实现超灵敏和无标记的电化学心肌 microRNA 检测。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-19 DOI: 10.1016/j.talanta.2024.126923
Tengteng Shan, Lingrong Cui, Huimin Zhang, Kaiqin Li, Jianmei Yang, Yan Zhao, Yun Xiang, Ruo Yuan
{"title":"Target-promoted activation of DNAzyme walker for in situ assembly of hemin/G-quadruplex nanowires enable ultrasensitive and label-free electrochemical myocardial microRNA assay.","authors":"Tengteng Shan, Lingrong Cui, Huimin Zhang, Kaiqin Li, Jianmei Yang, Yan Zhao, Yun Xiang, Ruo Yuan","doi":"10.1016/j.talanta.2024.126923","DOIUrl":"10.1016/j.talanta.2024.126923","url":null,"abstract":"<p><p>The concentration elevation of myocardial microRNA (miRNA) biomarker is associated with the pathogenic process of acute myocardial infarction (AMI), and sensitive quantification of myocardial miRNA biomarker plays an important role for early AMI diagnosis and its treatment. In response, this work describes an ultrasensitive and non-label electrochemical biosensor for the assay of myocardial miRNA based on cascade signal amplifications integrated by DNAzyme walker and hemin/G-quadruplex nanowires. The DNAzyme walker is activated by presence of target miRNAs to move along the electrode surface to cyclically cleave the substrate hairpins to release G-quadruplex segments, which further trigger the in situ formation of many hemin/G-quadruplex nanowires. The large amounts of hemin intercalated into the DNA nanowires subsequently generate drastically magnified electrochemical current signals for highly sensitive label-free assay of myocardial miRNAs down to 15.7 fM within dynamic range of 100 fM to 10 nM. Such a biosensor also has high selectivity and can monitor myocardial miRNAs in diluted serums at low levels, providing a sensitive and reliable platform for diagnosing infarct-associated cardiovascular diseases.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126923"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142306870","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
Amino-rich silicon quantum dots as efficient activator with intrinsic chemiluminescence for the detection of peroxydisulfate. 富含氨基的硅量子点作为高效活化剂,具有内在化学发光功能,可用于过硫酸盐的检测。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-22 DOI: 10.1016/j.talanta.2024.126931
Dayang Zhao, Hui Gong, Houjing Liu
{"title":"Amino-rich silicon quantum dots as efficient activator with intrinsic chemiluminescence for the detection of peroxydisulfate.","authors":"Dayang Zhao, Hui Gong, Houjing Liu","doi":"10.1016/j.talanta.2024.126931","DOIUrl":"10.1016/j.talanta.2024.126931","url":null,"abstract":"<p><p>The specific detection of peroxydisulfate (S<sub>2</sub>O<sub>8</sub><sup>2-</sup>, PDS) is significant and challenging due to the rapid development of PDS-related technologies and their widespread application in multiple fields. However, traditional analytical methods are mainly based on their strong oxidizing properties, making it difficult to simultaneously achieve specific identification and high sensitivity for PDS detection in complex water environments. Here, we purposely prepared amino-rich SiQDs (N-SiQDs) as an effective catalyst and introduced H<sub>2</sub>O<sub>2</sub> acts as a co-reactant for PDS activation and determination with strong intrinsic chemiluminescence (CL) emission. High yield of reactive active oxygen (mainly O<sub>2</sub>˙<sup>-</sup> and ˙OH) were generated during CL process, which trigger electron-hole annihilation between the N-SiQDs˙<sup>+</sup> and N-SiQDs˙<sup>-</sup> accounted for extraordinary CL emission. On this basis, a new CL assay for PDS detection was fabricated with broad linear range of 5 × 10<sup>-7</sup>M-5 × 10<sup>-5</sup> M and low detection limit (3.2 × 10<sup>-7</sup> M). Due to the absence of SO<sub>4</sub>˙<sup>-</sup> involvement during CL emission, the sensing platform is sensitive enough, satisfactory selectivity and does not respond to transition-metal ions and inorganic anions that have interferences in the PDS CL sensors reported before. This work not only deepens insight into the mechanisms of nanomaterials assisted PDS activation but also provides a new perspective on the modified metal-free QDs CL probe for chemical species detection.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126931"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142338751","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 ring resonators optical sensor for multiple biomarkers detection. 用于检测多种生物标记物的环形谐振器光学传感器。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-10-11 DOI: 10.1016/j.talanta.2024.127035
Rachele Favaretto, Niccolò Ardoino, Georg Pucker, Nicola Bellotto, Mattia Mancinelli, Gioele Piccoli, Martino Bernard, Lia Vanzetti, Cristina Potrich, Lorenzo Lunelli, Cecilia Pederzolli, Carlo Guardiani, Laura Pasquardini
{"title":"A ring resonators optical sensor for multiple biomarkers detection.","authors":"Rachele Favaretto, Niccolò Ardoino, Georg Pucker, Nicola Bellotto, Mattia Mancinelli, Gioele Piccoli, Martino Bernard, Lia Vanzetti, Cristina Potrich, Lorenzo Lunelli, Cecilia Pederzolli, Carlo Guardiani, Laura Pasquardini","doi":"10.1016/j.talanta.2024.127035","DOIUrl":"10.1016/j.talanta.2024.127035","url":null,"abstract":"<p><p>In the recent years, the number of Point-Of-Care-Tests (POCTs) available for clinical diagnostic has steadily increased. POCTs provide a near-patient testing with the potential to generate a result quickly so that appropriate treatment can be implemented, leading to improved clinical outcomes compared to traditional laboratory testing. Technological advances, such as miniaturization of sensors and improved instrumentation, have revolutionized POCTs, enabling the development of smaller and more accurate devices. In this context, it has also gained increasing importance the screening of various analytes simultaneously to increase specificity and improve the characterization of the disease. This study is aimed at developing and characterizing a photonic integrated circuit for multiple markers detection, which represents the functional core towards a full developed POCT device for clinical pathology applications. The photonic sensor, based on microring resonators (MRRs), is functionalized by immobilizing specific antibodies on a copolymer layer deposited on the MRR's surfaces. Surface chemical techniques were employed to analyse the surface chemical characteristics while fluorescence microscopy was involved to analyse the resulting bioreceptor surface density. The photonic sensor is characterized for the parallel detection of two biomarkers, the C-Reactive Protein (CRP) and the Creatine-Kinase-MB (CK-MB). The analyte-antibody binding curves were obtained both in buffer and in filtered un-diluted artificial saliva showing promising results both in terms of sensitivity, with limit of detection (LOD) of 103 pM for CRP and 140 pM for CK-MB, and in terms of specificity. These encouraging results let the assembly of a highly sensitive POC device for molecular diagnostics.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"282 ","pages":"127035"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142455140","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
Biocompatible sensors for ammonia gas detection. 用于氨气检测的生物兼容传感器。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-19 DOI: 10.1016/j.talanta.2024.126916
Maria Angustias Torres-Molina, Miguel M Erenas, Mariano Ortega Munoz, Luis Fermin Capitan Vallvey, Isabel M Perez de Vargas Sansalvador
{"title":"Biocompatible sensors for ammonia gas detection.","authors":"Maria Angustias Torres-Molina, Miguel M Erenas, Mariano Ortega Munoz, Luis Fermin Capitan Vallvey, Isabel M Perez de Vargas Sansalvador","doi":"10.1016/j.talanta.2024.126916","DOIUrl":"10.1016/j.talanta.2024.126916","url":null,"abstract":"<p><p>In this work, three different dyes have been tested for the determination of gaseous ammonia. This gas is one of the products of microbial degradation and therefore its presence is an indicator of deterioration and could be used as a food freshness indicator. Three different sensors have been prepared and tested, two of them using the natural pigments curcumin and anthocyanin and the other one using bromothymol blue. All of them are biocompatible and therefore allowed to use in contact with food. Different compositions, materials for deposition, stability and reversibility for ammonia gas detection have been studied under high humidity conditions simulating real packaged food conditions. Colorimetry is the technique used to obtain the analytical parameter, the H coordinate of the HSV colour space, simply using a camera, avoiding the use of complex instrumentation. Sensibility, toxicity grade and stability found show that the sensor could be implemented in packaged food and form the basis of a freshness indicator for the food industry.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126916"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142278332","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 near-infrared fluorescent probe for sensing of lysine and Cu2+/Fe3+ and relay detection of biothiols. 感应赖氨酸和 Cu2+/Fe3+ 以及中继检测生物硫醇的多功能近红外荧光探针。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-09-25 DOI: 10.1016/j.talanta.2024.126944
Yu Shi, Jirui Yu, Yanxi Song, Ji Fan, Xiwen Wang, Shiji Li, Hongqi Li
{"title":"Multifunctional near-infrared fluorescent probe for sensing of lysine and Cu<sup>2+</sup>/Fe<sup>3+</sup> and relay detection of biothiols.","authors":"Yu Shi, Jirui Yu, Yanxi Song, Ji Fan, Xiwen Wang, Shiji Li, Hongqi Li","doi":"10.1016/j.talanta.2024.126944","DOIUrl":"10.1016/j.talanta.2024.126944","url":null,"abstract":"<p><p>Lysine (Lys), Cu<sup>2+</sup> and Fe<sup>3+</sup> ions and biothiols are essential to a myriad of biological and pathological pathways, and their dysregulation is implicated in a variety of diseases. Development of fluorescent probes capable of detecting multiple analytes may be of great significance for early and accurate diagnosis of diseases and remains a huge challenge. In this context, a novel coumarin-dicyanoisophorone-based probe, engineered for the concurrent sensing of Lys, Cu<sup>2+</sup>, Fe<sup>3+</sup> and biothiols was developed. The probe exhibited turn-on response to Lys, colorimetric and turn-off response to Cu<sup>2+</sup> by formation of the probe-Cu<sup>2+</sup> complex, and ratiometric sensing of Fe<sup>3+</sup>. In addition, the probe-Cu<sup>2+</sup> complex served colorimetric and fluorescence turn-on sensor for biothiols. The limit of detection (LOD) values for the analytes were in the range of 0.30-4.40 μM. Sensing mechanisms based on intramolecular charge transfer (ICT) and iron-mediated hydrolysis of Schiff base were proposed and substantiated through density functional theory (DFT) calculations. Application of the probe for living cell bioimaging was demonstrated.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"281 ","pages":"126944"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142338760","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
Statistically sound identification of compounds by low-resolution GC-MS: Identification of tear agents in tear gas sprays. 通过低分辨率气相色谱-质谱仪对化合物进行统计鉴定:催泪瓦斯喷雾剂中催泪剂的鉴定。
IF 5.6 1区 化学
Talanta Pub Date : 2025-01-01 Epub Date: 2024-10-18 DOI: 10.1016/j.talanta.2024.127061
Pedro A S Salgueiro, Bettencourt da Silva Ricardo J N
{"title":"Statistically sound identification of compounds by low-resolution GC-MS: Identification of tear agents in tear gas sprays.","authors":"Pedro A S Salgueiro, Bettencourt da Silva Ricardo J N","doi":"10.1016/j.talanta.2024.127061","DOIUrl":"10.1016/j.talanta.2024.127061","url":null,"abstract":"<p><p>Gas-chromatography hyphenated with low-resolution mass spectrometry is a very flexible tool for the cost-effective identification and quantification of volatile compounds in complex matrices. In some analytical fields, criteria for the agreement between retention time and mass spectra of the analyte in calibrators and samples are defined based on the general understanding of the performance of these parameters. However, since this harmonisation is not based on experimental performance observed for specific GC-MS conditions and analyte it leads to false identifications. This research proposes a novel and robust tool for defining statistically sound criteria for the identification of compounds by GC-MS and LC-MS using experimental data. The Monte Carlo Method (MCM) simulation of the correlated abundance of characteristic ions of analyte mass spectrum allows simulating the abundance ratio difference of the analyte in a calibrator and sample used for statistically sound identifications. The Cholesky decomposition of the covariance matrix of ion abundances for MCM simulations allows the reliable use of many ion abundance ratios in identifications. The developed methodology was implemented in a user-friendly Excel spreadsheet and applied to the identification of tear gas agents in tear gas sprays. Criteria defined by SANTE for identifying pesticide residues in foodstuffs were compared with the developed tool. The cross-validation of computational and SANTE tools allowed concluding that the statistical control of retention time and mass spectra performs according to the defined confidence level. On the other hand, the SANTE criteria can produce up to 92 % false identifications for being too strict considering signal dispersion.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"282 ","pages":"127061"},"PeriodicalIF":5.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492461","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
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