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Enhancing spectral interpretability and band selection prior to prediction model development via CAKE. 在利用CAKE开发预测模型之前,提高光谱可解释性和波段选择。
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-19 DOI: 10.1016/j.talanta.2026.130168
Minh-Quan Nguyen, Mizuki Tsuta, Mito Kokawa
{"title":"Enhancing spectral interpretability and band selection prior to prediction model development via CAKE.","authors":"Minh-Quan Nguyen, Mizuki Tsuta, Mito Kokawa","doi":"10.1016/j.talanta.2026.130168","DOIUrl":"10.1016/j.talanta.2026.130168","url":null,"abstract":"<p><p>A direct, singular causal relationship between the objective variable and spectral data underpins reliable and robust prediction models that avoid spurious correlations. However, machine learning models often lack causal interpretability due to their \"black-box\" nature. To address this, we developed the Causal Analysis via Kernel Estimation (CAKE), a framework that reveals single-component bands using only variables from the calibration model. CAKE employs an information-theoretic approach by calculating the differences in mutual information between variables and regression residuals to indicate causal direction. A Kernel Density Estimation (KDE) classifier further distinguishes causal structures prone to spurious correlations. The framework was optimized on simulated data and validated on real-world spectral measurements. Seven causal structures were constructed for the simulated data, while real-world data came from near-infrared and fluorescence spectroscopy of three-solvent mixtures (dimethyl sulfoxide, ethylene glycol, and glycerol). Three causality types - spectral bands with a single direct cause, hidden causes, and confounders - were distinctly characterized by density functions within the framework, enabling the accurate classification of all single-component bands into their respective causal structures. Compared with post-hoc approaches, such as external model validation and common variable selection indices, CAKE identifies reliable spectral bands that exclude spurious correlations across diverse spectroscopic applications while operating independently of the calibration process and requiring no prior knowledge of pure spectra. Although CAKE is designed as a pre-calibration method rather than a prediction-optimized variable selector, it achieves improved predictive accuracy, demonstrating that causal reliability and practical performance are not mutually exclusive.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"310 ","pages":"130168"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306389","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
Multicomponent recognition and on-site detection of oral antidiabetic drugs based on a host-guest fluorescent sensor array. 基于主客体荧光传感器阵列的口服降糖药多组分识别及现场检测。
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-18 DOI: 10.1016/j.talanta.2026.130165
Hong-Yuan Hu, Qing Tang, Qing Fan, Jin-Xian Luo, Nan Dong, Zhu Tao, Ying Huang
{"title":"Multicomponent recognition and on-site detection of oral antidiabetic drugs based on a host-guest fluorescent sensor array.","authors":"Hong-Yuan Hu, Qing Tang, Qing Fan, Jin-Xian Luo, Nan Dong, Zhu Tao, Ying Huang","doi":"10.1016/j.talanta.2026.130165","DOIUrl":"10.1016/j.talanta.2026.130165","url":null,"abstract":"<p><p>Hypoglycemia, a serious complication of diabetes, requires prompt identification of its underlying cause. Unlike conventional lock-and-key methods, which generally require a dedicated sensor for each analyte, we constructed a supramolecular fluorescent sensor array for multiplex oral antidiabetic drug (OAD) detection using only two sensing units: cucurbit[8]uril (Q[8]) as the host, along with a synthesized bpep-Am derivative and palmatine as fluorescent probes. Upon introduction of OADs, competitive guest displacement generates differential fluorescence \"fingerprints\". In combination with linear discriminant analysis, the array fully discriminated five OADs (metformin, phenformin, buformin, rosiglitazone, and sitagliptin), with a detection limit as low as 0.218 μM, 100% classification accuracy in artificial urine and guinea pig serum, and >93% recovery for spiked sitagliptin and phenformin. The sensor array was further integrated into a smartphone-enabled portable device for rapid on-site visual quantification of sitagliptin. This strategy provides a promising tool for OAD screening and assessment of hypoglycemia etiology.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"310 ","pages":"130165"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306395","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 light-activated one-pot ERA/CRISPR-Cas12a assay for cost-effective dual-mode detection of HBV DNA. 一种具有成本效益的双模式检测HBV DNA的光激活单锅ERA/CRISPR-Cas12a试验
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-07-17 DOI: 10.1016/j.talanta.2026.130329
Xuan Zhou, Lang Wang, XiaoZhen Peng, Mengzhao Liu, Yue Li, Fang Gui, Lanying Zhou, Zhongliang Deng
{"title":"A light-activated one-pot ERA/CRISPR-Cas12a assay for cost-effective dual-mode detection of HBV DNA.","authors":"Xuan Zhou, Lang Wang, XiaoZhen Peng, Mengzhao Liu, Yue Li, Fang Gui, Lanying Zhou, Zhongliang Deng","doi":"10.1016/j.talanta.2026.130329","DOIUrl":"10.1016/j.talanta.2026.130329","url":null,"abstract":"<p><p>Light-activatable CRISPR-Cas systems offer an effective strategy to overcome the kinetic incompatibility in one-pot nucleic acid assays; however, their practical application remains limited by high reagent cost, the lack of compatible reaction buffers, and reliance on instrument-dependent readout. In this work, we developed a cost-effective light-controlled one-pot ERA/CRISPR-Cas12a platform for rapid hepatitis B virus (HBV) DNA detection. NPOM-caged crRNA was employed to temporarily suppress Cas12a activity during amplification and to trigger target-dependent trans-cleavage by a brief 30 s UV irradiation. By replacing RPA with ERA, the per-reaction reagent cost of the one-pot assay was reduced from approximately US$6.0 to US$2.0, corresponding to a reduction of approximately 66.7%, while maintaining comparable analytical performance. In addition, a PEG-free unified buffer was established through systematic optimization, enabling efficient integration of ERA and Cas12a reactions in a sealed single-tube format. The proposed platform provided dual-mode readout through fluorescence and lateral flow assay (LFA), with a limit of detection of 1 copy μL<sup>-1</sup> and a total assay time of 30 min. Clinical evaluation using 79 serum samples showed a sensitivity of 100% for fluorescence readout and 96.3% for LFA, with excellent agreement with qPCR (Cohen's κ = 0.94 - 1.00). Owing to its low cost, high sensitivity, and operational simplicity, this platform represents a promising tool for rapid HBV molecular diagnosis in both centralized laboratories and resource-limited settings.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":" ","pages":"130329"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148676600","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
Dual-substrate-based full-color fluorescent probe TPE-4PA@Tb/Eu-GMP-acac ICPs for alkaline phosphatase detection and its on-site application for algal bloom alert. 双底物全彩荧光探针TPE-4PA@Tb/Eu-GMP-acac ICPs检测碱性磷酸酶及其在藻华预警中的现场应用
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-19 DOI: 10.1016/j.talanta.2026.130159
Yuanyue Wu, Chunqian Yu, Yiwen Min, Changshun Chen, Ke Zhou, Wanying Zhai, Tianshu Zhou, Jingjing Deng
{"title":"Dual-substrate-based full-color fluorescent probe TPE-4PA@Tb/Eu-GMP-acac ICPs for alkaline phosphatase detection and its on-site application for algal bloom alert.","authors":"Yuanyue Wu, Chunqian Yu, Yiwen Min, Changshun Chen, Ke Zhou, Wanying Zhai, Tianshu Zhou, Jingjing Deng","doi":"10.1016/j.talanta.2026.130159","DOIUrl":"10.1016/j.talanta.2026.130159","url":null,"abstract":"<p><p>The development of rapid, on-site analytical methods and test strips for alkaline phosphatase activity (APA) is crucial for addressing drinking water safety crises, as it enables eutrophication assessment and algal bloom warnings under phosphorus-limited conditions. In this study, we incorporate aggregation-induced emission luminogen (AIEgen) guest TPE-4PA into bimetallic lanthanide-based infinite coordination polymers (Tb/Eu-GMP ICPs). TPE-4PA exhibits unprecedented binding preference for Tb<sup>3+</sup> over Eu<sup>3+</sup>, triggering coordination-induced emission (CIE) at 450 nm and modulating the antenna effect (AE) and the tandem energy transfer (TER) from Tb<sup>3+</sup> to Eu<sup>3+</sup>. Subsequently, acetylacetone (acac) was further introduced to yield TPE-4PA@Tb/Eu-GMP-acac ICPs with an appropriate full-color fluoresce response capability. The addition of alkaline phosphatase (ALP) hydrolyzes GMP and TPE-4PA dual substrates, resulting in reduced characteristic emission of the bimetallic Ln-ICP host at 493, 548, 593, 619 and 703 nm, increased monomer emission of TPE-4PA at 392 nm, as well as the solvent-driven AIE of the enzymatic product TPE-4OH at 430 nm, which constitutes a novel ratiometric ALP sensing mechanism with pale-purple to blue fluorescence color shifts. Featuring high sensitivity, doubly assured selectivity, and operational simplicity, this \"all-in-one\" probe enables real-time APA monitoring via dual-substrate kinetics and is suitable for on-site ALP test strip development. Moreover, the unique color transition point of the dual-substrate-based TPE-4PA@Tb/Eu-GMP-acac ICPs probe can be designed to signal an APA surge prior to algal bloom onset, which holds significant potential for the development of microalgae pollution early-warning systems, thereby safeguarding drinking water safety.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"310 ","pages":"130159"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148300521","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 'Design and development of lab-on-a-centrifuge based on liquid-core waveguide enhancement technology for colorimetric detection of soil Cr(VI) from sample-to-answer' [Talanta 305 (2026), 129673]. “基于液芯波导增强技术的实验室离心机的设计与开发,用于从样品到答案的土壤Cr(VI)比色检测”[Talanta 305(2026), 129673]。
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-22 DOI: 10.1016/j.talanta.2026.130177
Bingyu Mu, Xing Na, Zhengqin Shi, Zhe Liu, Jixin Liu
{"title":"Corrigendum to 'Design and development of lab-on-a-centrifuge based on liquid-core waveguide enhancement technology for colorimetric detection of soil Cr(VI) from sample-to-answer' [Talanta 305 (2026), 129673].","authors":"Bingyu Mu, Xing Na, Zhengqin Shi, Zhe Liu, Jixin Liu","doi":"10.1016/j.talanta.2026.130177","DOIUrl":"10.1016/j.talanta.2026.130177","url":null,"abstract":"","PeriodicalId":435,"journal":{"name":"Talanta","volume":" ","pages":"130177"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148300397","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
Ultrasensitive, self-calibrating cortisol immunosensor enabled by dual-modal CuMOF-PEI@AuNPs@HRP immunoreceptor. 超灵敏,自校准皮质醇免疫传感器启用双峰CuMOF-PEI@AuNPs@HRP免疫受体。
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-15 DOI: 10.1016/j.talanta.2026.130164
Xinyi Wang, Minghao Wang, Wenbin Zhang, Dewang Yan, Liubing Kong, Gaofeng Wang
{"title":"Ultrasensitive, self-calibrating cortisol immunosensor enabled by dual-modal CuMOF-PEI@AuNPs@HRP immunoreceptor.","authors":"Xinyi Wang, Minghao Wang, Wenbin Zhang, Dewang Yan, Liubing Kong, Gaofeng Wang","doi":"10.1016/j.talanta.2026.130164","DOIUrl":"10.1016/j.talanta.2026.130164","url":null,"abstract":"<p><p>Accurate cortisol monitoring is essential for stress assessment and health management, yet reliable quantification remains challenging because signal fluctuations and matrix effects can compromise the performance of conventional single-mode immunosensors. Herein, we developed a fluorescence-colorimetric (FL-CL) dual-modal immunosensor based on a CuMOF-PEI@AuNPs@HRP (CPA) immunoreceptor for cortisol determination. The integrated sensing architecture generates correlated fluorescence and colorimetric responses from the same recognition event, which are combined through a normalized dual-signal output to improve calibration reliability. Under optimized conditions, the proposed sensor exhibited a detection limit of 0.22 ng/mL and a linear range of 3.1-200 ng/mL, covering physiologically relevant cortisol concentrations in saliva. Compared with single-modal assays and commercial kits, the proposed platform demonstrates enhanced sensitivity, improved correlation, good stability, and batch reproducibility. By integrating signal amplification, dual-modal readout, and simplified immunoreceptor fabrication within a single sensing platform, this work provides a reliable strategy for cortisol monitoring and offers potential for extension to other biomarker detection systems.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"310 ","pages":"130164"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292920","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
Smartphone-integrated bifunctional sensing platform for visual detection of ampicillin and tetracycline in animal manure. 基于智能手机集成的动物粪便氨苄西林和四环素双功能视觉检测平台。
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-21 DOI: 10.1016/j.talanta.2026.130173
Ming-Ming Chen, Lu-Chen Cheng, Xiao-Yu Dong, Fang-Jie Zhao, Peng Wang
{"title":"Smartphone-integrated bifunctional sensing platform for visual detection of ampicillin and tetracycline in animal manure.","authors":"Ming-Ming Chen, Lu-Chen Cheng, Xiao-Yu Dong, Fang-Jie Zhao, Peng Wang","doi":"10.1016/j.talanta.2026.130173","DOIUrl":"10.1016/j.talanta.2026.130173","url":null,"abstract":"<p><p>Antibiotic residues in environmental matrices pose escalating threats to ecosystems and human health, creating demand for rapid detection. Here, we present a portable smartphone-integrated bifunctional sensor based on Fe-CDs that enables sequential colorimetric and fluorescent detection of ampicillin (Amp) and tetracycline (TC). The Fe-CDs, synthesized via a one-pot hydrothermal process, exhibit stable fluorescence and intrinsic peroxidase-mimicking activity. Ampicillin inhibits the Fe-CDs nanozyme-catalyzed TMB/H<sub>2</sub>O<sub>2</sub> chromogenic reaction via •OH consumption, allowing visual colorimetric quantification. Meanwhile, tetracycline strongly quenches the fluorescent signal of Fe-CDs through an inner filter effect, enabling a sensitive fluorescence readout. This bifunctional assay achieves high sensitivity (LOD as low as ∼0.012 μg/mL for Amp and 0.005 μg/mL for TC). By incorporating Fe-CDs onto paper test strips and analyzing with smartphone cameras, the platform allows real-time, rapid quantification of antibiotics in complex matrices. In manure samples, the sensor's results (recoveries ∼94.4-104.8%) agree well with LC-MS/MS measurements, underscoring its accuracy and robustness. Overall, the portable bifunctional Fe-CDs sensor provides a sensitive, field-deployable tool for environmental antibiotic surveillance.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"310 ","pages":"130173"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148300602","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 "Spatial confinement-enhanced CHA system based on tetrahedral DNA nanostructures for sensitive in situ mRNA analysis" [Talanta 306 (2026) 129764]. “基于四面体DNA纳米结构的空间约束增强CHA系统用于敏感的原位mRNA分析”[Talanta 306(2026) 129764]的更正。
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-10 DOI: 10.1016/j.talanta.2026.130096
Yujie Wang, Tongtong Pan, Mengru Li, Xiaoyan Dai, Siyong Zhang, Hongmei Fu, Ying Chen, Chang Xue, Zhifa Shen, Liang Xu
{"title":"Corrigendum to \"Spatial confinement-enhanced CHA system based on tetrahedral DNA nanostructures for sensitive in situ mRNA analysis\" [Talanta 306 (2026) 129764].","authors":"Yujie Wang, Tongtong Pan, Mengru Li, Xiaoyan Dai, Siyong Zhang, Hongmei Fu, Ying Chen, Chang Xue, Zhifa Shen, Liang Xu","doi":"10.1016/j.talanta.2026.130096","DOIUrl":"10.1016/j.talanta.2026.130096","url":null,"abstract":"","PeriodicalId":435,"journal":{"name":"Talanta","volume":" ","pages":"130096"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148215804","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
Efficient analysis of n-alkanes by high-pressure photoionization-induced NO2+ chemical ionization time-of-flight mass spectrometry. 高压光电离诱导NO2+化学电离飞行时间质谱法分析正构烷烃。
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-15 DOI: 10.1016/j.talanta.2026.130161
Xuefeng Sun, Bo Li, Guolong Wang, Yifan Ding, Anshan Xiao
{"title":"Efficient analysis of n-alkanes by high-pressure photoionization-induced NO<sub>2</sub><sup>+</sup> chemical ionization time-of-flight mass spectrometry.","authors":"Xuefeng Sun, Bo Li, Guolong Wang, Yifan Ding, Anshan Xiao","doi":"10.1016/j.talanta.2026.130161","DOIUrl":"10.1016/j.talanta.2026.130161","url":null,"abstract":"<p><p>Normal alkanes (n-alkanes) are important constituents of anthropogenic volatile organic compounds (VOCs) and petroleum products. Their rapid, sensitive, and selective detection is crucial for environmental monitoring and industrial process control. Conventional GC-based methods are time-consuming, while existing direct MS techniques often suffer from low sensitivity or severe fragmentation. In this study, we introduce a novel high-pressure photon ionization-NO<sub>2</sub><sup>+</sup> chemical ionization time-of-flight mass spectrometry (HPPI-PNO<sub>2</sub>CI-TOFMS) platform for the efficient analysis of C<sub>4</sub>-C<sub>11</sub> n-alkanes. A vacuum ultraviolet (VUV) lamp is used to photoionize NO<sub>2</sub> reagent gas at pressures of approximately 600-700 Pa, generating NO<sub>2</sub><sup>+</sup> reactant ions that undergo hydride-transfer reactions with n-alkanes to produce predominantly [M - H]<sup>+</sup> ions with minimal fragmentation, with [M - H]<sup>+</sup> branching ratios exceeding 90-96% for C<sub>4</sub>-C<sub>11</sub> alkanes. Under optimized conditions (1 V, ∼660 Pa), limits of detection (LODs) reach ∼8.6 ppbv for n-butane and 0.21-2.57 ppbv for C<sub>5</sub>-C<sub>11</sub> n-alkanes with 5 s integration times. The method was successfully applied to refinery gas samples, facilitating the selective and rapid quantification of n-alkanes against complex VOC backgrounds. However, this method does not detect C<sub>1</sub>-C<sub>3</sub> n-alkanes and cannot distinguish n-alkanes from their branched or cyclic isomers by mass spectrometry alone. Nevertheless, the HPPI-PNO<sub>2</sub>CI-TOFMS thus provides a robust, real-time analytical tool characterized by high sensitivity, clean spectra, and minimal fragmentation, making it well suitable for environmental monitoring, emissions tracking, and industrial process control.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"310 ","pages":"130161"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148300593","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
1O2-driven photobleaching pathways of xanthene dyes: A comparative study via LC-QTOF-MS/MS analysis and FT-IR spectroscopy. 基于LC-QTOF-MS/MS分析和FT-IR光谱的二氧化氧驱动的杂蒽染料光漂白途径的比较研究
IF 6.7 1区 化学
Talanta Pub Date : 2026-12-01 Epub Date: 2026-06-20 DOI: 10.1016/j.talanta.2026.130176
Simone Bassini, Victoria Beltran, Nick Sleegers, Andrea Marchetti, Koen Janssens, Alexander L N van Nuijs, Karolien De Wael
{"title":"<sup>1</sup>O<sub>2</sub>-driven photobleaching pathways of xanthene dyes: A comparative study via LC-QTOF-MS/MS analysis and FT-IR spectroscopy.","authors":"Simone Bassini, Victoria Beltran, Nick Sleegers, Andrea Marchetti, Koen Janssens, Alexander L N van Nuijs, Karolien De Wael","doi":"10.1016/j.talanta.2026.130176","DOIUrl":"10.1016/j.talanta.2026.130176","url":null,"abstract":"<p><p>Singlet oxygen (<sup>1</sup>O<sub>2</sub>)-driven photodegradation is a key factor that controls the stability of xanthene dyes and a mechanism of their photobleaching is still lacking. Here, we report a comparative photodegradation study of five xanthene dyes (i.e., erythrosin B, eosin Y, fluorescein, phloxine B and rose bengal) under illumination conditions maximizing <sup>1</sup>O<sub>2</sub> generation. Time-resolved degradation was analyzed mainly by LC-QTOF-MS and FTIR spectroscopy, enabling identification of major intermediates and allowing the description of a general degradation mechanism. Despite the different molecular structures, only two different pathways were identified: i) all dyes were consecutively oxidized, yielding a major product with partial cleavage of the tricyclic xanthene core; ii) dyes lacking chlorine substitution on the peripheral benzoate ring presented a faster route, leading to complete chromophore breakdown and formation of low molecular weight oxidation products. These results show a relationship between structure and degradation pathway and provide important insights relevant to design, lifetime and conservation of xanthene-based dyes.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"310 ","pages":"130176"},"PeriodicalIF":6.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148315133","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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