Analytical and Bioanalytical Chemistry最新文献

In-depth characterization of acylcarnitines: utilizing nitroxide radical-directed dissociation in tandem mass spectrometry. 酰基肉碱的深入表征：利用氮氧化物自由基定向解离串联质谱。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-08 DOI: 10.1007/s00216-025-05868-2

Xiangyu Gao, Xue Zhao

{"title":"In-depth characterization of acylcarnitines: utilizing nitroxide radical-directed dissociation in tandem mass spectrometry.","authors":"Xiangyu Gao, Xue Zhao","doi":"10.1007/s00216-025-05868-2","DOIUrl":"https://doi.org/10.1007/s00216-025-05868-2","url":null,"abstract":"Acylcarnitines (ACs) are metabolic intermediates of fatty acids playing important roles in regulating cellular energy and lipid metabolism. The large structural diversity of ACs arises from variations in acyl chain length and the presence of chemical modifications, such as methyl branching, desaturation, hydroxylation, and carboxylation. Numerous studies have demonstrated that these structural isomers of ACs function as biomarkers for a variety of diseases. However, conventional tandem mass spectrometry (MS/MS) via low-energy collision-induced dissociation (CID) faces challenges in distinguishing these isomers. In this study, we report a radical-directed dissociation (RDD) approach for characterization of the intrachain modifications within ACs. The method involves derivatizing ACs with O-benzylhydroxylamine (O-BHA), followed by MS2 CID to produce a nitroxide radical for subsequent RDD along the fatty acyl chain. The above RDD approach was employed on a cyclic ion mobility spectrometry (cIMS) and reversed-phase liquid chromatography (RPLC), enabling the identification and relative quantification of branched chain isomers of ACs. By derivatizing carboxylated ACs with O-BHA, their mass is shifted to a higher region, thereby facilitating their separation from the isobars of hydroxylated ACs. Furthermore, this RDD method effectively allows for the assignment and localization of C = C and hydroxylation positions. This RDD approach has been applied for in-depth profiling of ACs in mice plasma extracts.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143810328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bimetallic-doped carbon quantum dots with enhanced photoluminescence and peroxidase-mimicking activity for dual-mode colorimetric and ratiometric fluorescence assay of alendronate. 具有增强光致发光和模拟过氧化物酶活性的双金属掺杂碳量子点用于阿仑膦酸双模比色和比例荧光测定。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-08 DOI: 10.1007/s00216-025-05866-4

Jue Wang, Guanglong Yu, Shuangshuang Wu, Haifeng Zhou, Xiaoqian Liu, Jiawei Han, Rui Yang

{"title":"Bimetallic-doped carbon quantum dots with enhanced photoluminescence and peroxidase-mimicking activity for dual-mode colorimetric and ratiometric fluorescence assay of alendronate.","authors":"Jue Wang, Guanglong Yu, Shuangshuang Wu, Haifeng Zhou, Xiaoqian Liu, Jiawei Han, Rui Yang","doi":"10.1007/s00216-025-05866-4","DOIUrl":"https://doi.org/10.1007/s00216-025-05866-4","url":null,"abstract":"Carbon quantum dots (CQDs) are powerful signal transducers in dual-mode assays while still being challenged by their poor peroxidase-mimicking activity and photoluminescence property. Herein, bimetallic copper-iron-doped CQDs (CuFe-CQDs) as a multifunctional nanozyme were proposed for dual-mode colorimetric and ratiometric fluorescence assays of alendronate sodium (ALDS). Notably, CuFe-CQDs were identified to show enhanced and tunable photoluminescence and peroxidase-mimicking activities with bimetallic doping, ascribed to the boosting activation ability of H2O2 into HO• and 1O2, and the improving carrier mobility in the π-conjugated structure of CuFe-CQDs. Based on the inhibition of ALDS on the peroxidase-mimicking activity of CuFe-CQDs, which further disturbed the inner filter effect (IFE) between CuFe-CQDs and the chromatic product, a dual-mode colorimetric and ratiometric fluorescence assay for the differentiation and determination of ALDS and its analogues was developed with better quantification and high identification, reaching a limit of detection of 0.019 μM in colorimetric mode and 0.146 μM in ratiometric fluorescence mode. The developed dual-mode assay also demonstrated accurate analysis of ALDS in diluted tablets and human urine with recoveries of 92-110%. Our work provides a new approach for the development of functional nanozymes and holds great prospects in multi-mode/signal sensing in complex matrix.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143810326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comprehensive characterization of sulfur compounds in the diesel fraction using methylation/demethylation derived separation and GC × GC-MS/FID analysis. 利用甲基化/去甲基化衍生分离和GC × GC- ms /FID分析对柴油馏分中含硫化合物进行综合表征。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-07 DOI: 10.1007/s00216-025-05860-w

Yifei Li, Yanfei Su, Zhengyu Chen, Jianxun Wu, Weilai Zhang, Chunming Xu, Quan Shi, Linzhou Zhang

{"title":"Comprehensive characterization of sulfur compounds in the diesel fraction using methylation/demethylation derived separation and GC × GC-MS/FID analysis.","authors":"Yifei Li, Yanfei Su, Zhengyu Chen, Jianxun Wu, Weilai Zhang, Chunming Xu, Quan Shi, Linzhou Zhang","doi":"10.1007/s00216-025-05860-w","DOIUrl":"https://doi.org/10.1007/s00216-025-05860-w","url":null,"abstract":"Comprehensive characterization of petroleum-derived sulfur compounds is crucial for researching and developing desulfurization catalysts, equipment, and processes. However, the complex composition and low concentration of sulfur compounds in oils make it challenging for molecular-level separation and characterization. In this work, sulfur compounds in the straight-run diesel fraction were selectively separated from the oil by the methylation/demethylation method, effectively yielding high-purity thiophenes and sulfides. Molecular-level compositional and structural characterization of sulfur compounds was accomplished through comprehensive two-dimensional gas chromatography (GC × GC) coupled with time-of-flight mass spectrometry. The separation significantly enhances the detection sensitivity for low-content sulfur compounds, thereby enabling a more comprehensive characterization of their molecular compositions and structures. Sulfur compounds with diverse skeletons and carbon numbers were tentatively characterized, including 1~3 cyclic sulfides, thiophenes, benzothiophenes, dihydrobenzothiophenes, dibenzothiophenes, tetrahydrodibenzothiophenes, phenanthrothiophenes, and benzonaphthothiophenes. Additionally, hundreds of individual sulfur compounds were characterized by mass spectrometry. Quantitative analysis for individual compounds and compound types was conducted using a flame ionization detector.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143794295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification and characterization of chiral vitamin C using ion mobility and theoretical calculation. 用离子迁移率和理论计算鉴定手性维生素C。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-07 DOI: 10.1007/s00216-025-05855-7

Ying Zou, Manli Zhang, Dongdong Zhou, Chaoxian Chi, Fangling Wu, Chuan-Fan Ding

{"title":"Identification and characterization of chiral vitamin C using ion mobility and theoretical calculation.","authors":"Ying Zou, Manli Zhang, Dongdong Zhou, Chaoxian Chi, Fangling Wu, Chuan-Fan Ding","doi":"10.1007/s00216-025-05855-7","DOIUrl":"https://doi.org/10.1007/s00216-025-05855-7","url":null,"abstract":"Vitamin C (L-( +)-ascorbic acid, L-AA) is an essential micronutrient. Its diastereoisomer, D-(-)-isoascorbic acid (D-IAA), is only 5% as active as L-AA. Therefore, it is crucial to identify and characterize the diastereoisomers of ascorbic acid. In this work, a straightforward and direct method using ion mobility-mass spectrometry (IM-MS) was proposed to identify ascorbic acid isomers. Ternary complexes [L-AA + γ-CD + 2Cs-H]+ and [D-IAA + γ-CD + 2Cs-H]+, formed by non-covalent interaction of the isomer with the selective agent γ-CD and the metal ion Cs+, were separated in ion drift tubes with a resolution of Rp-p as high as 1.398. Meanwhile, comparisons with different CDs and metal ions revealed varying separation efficiencies. Theoretical calculations were conducted to determine the optimal conformations of [L-AA + γ-CD + 2Cs-H]+ and [D-IAA + γ-CD + 2Cs-H]+. Conformational analysis highlighted distinct structural differences at the molecular level, providing insight into the mobility separation mechanism of AA via the formation of ternary complexes with γ-CD and metal ions. Additionally, a quantitative analysis for the determination of chiral isomers was established with effective linearity and acceptable sensitivity. The method was successfully applied to assess L-AA/D-IAA content in pharmaceuticals and fruit samples.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143794297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dual DNA recycling amplification-assisted CRISPR/Cas12a cleavage for dual-channel ratiometric fluorescence biosensing of kanamycin antibiotic. 双DNA循环扩增辅助CRISPR/Cas12a切割用于卡那霉素抗生素双通道比例荧光生物传感。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-04 DOI: 10.1007/s00216-025-05858-4

Shanshan Lai, Jiahong Guo, Xin Li, Xiaoxiao Yu, Guosong Lai

{"title":"Dual DNA recycling amplification-assisted CRISPR/Cas12a cleavage for dual-channel ratiometric fluorescence biosensing of kanamycin antibiotic.","authors":"Shanshan Lai, Jiahong Guo, Xin Li, Xiaoxiao Yu, Guosong Lai","doi":"10.1007/s00216-025-05858-4","DOIUrl":"https://doi.org/10.1007/s00216-025-05858-4","url":null,"abstract":"Fluorescence biosensors hold significant importance for testing antibiotic residues which seriously endanger public health. However, how to adopt appropriate strategies to address the false result disadvantage involved in traditional single-channel biosensors is still a great challenge. Meanwhile, too much attention focused on designing signal amplification strategies of biosensors unavoidably decreases their detection efficiency. Herein, we combined the designed dual DNA recycling amplification strategy with CRISPR/Cas12a-mediated dual-channel signal output mode to successfully develop a novel ratiometric fluorescence biosensor for testing kanamycin (Kana) residues in complex sample matrices. The first recycling was formed from an exonuclease-assisted aptamer recognition reaction, which also triggered another cascade DNA recycling to amplify the release of the Cas12a activator. With the non-discrimination cleavage of Cas12a to cause reverse fluorescence changes of copper nanoclusters and an AMAC-labeled signal DNA, the ratiometric signal transduction strategy was constructed. Under optimal conditions, this biosensor could be applied for ultrasensitive testing of Kana antibiotics in a five-order of magnitude wide linear range with a low detection limit of 17.2 fg mL-1. Benefiting from the self-correction function of the ratiometric signal transduction mode, it showed promising practicality in lake water and milk samples with the relative error less than 4.9% to the standard ELISA results. Besides CRISPR/Cas12a-based fluorescence output efficiency improvement, this biosensor also excluded the complicated manipulations and expensive instruments required in traditional methods. Therefore, it provides a good choice for expanding the application of fluorescence biosensing technology for practical analysis application.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778598","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A hemicyanine-based dual-responsive fluorescent sensor for the detection of lithium and cyanide ions: application in living cells. 一种用于检测锂和氰化物离子的半氨基双响应荧光传感器：在活细胞中的应用。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-03 DOI: 10.1007/s00216-025-05852-w

Ziya Aydin, Mukaddes Keskinates, Esra Armagan, Bahar Yilmaz Altinok, Mevlut Bayrakci

{"title":"A hemicyanine-based dual-responsive fluorescent sensor for the detection of lithium and cyanide ions: application in living cells.","authors":"Ziya Aydin, Mukaddes Keskinates, Esra Armagan, Bahar Yilmaz Altinok, Mevlut Bayrakci","doi":"10.1007/s00216-025-05852-w","DOIUrl":"https://doi.org/10.1007/s00216-025-05852-w","url":null,"abstract":"A hemicyanine-based colorimetric and fluorometric sensor, 2-(2-(2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecin-12-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide (MH-5), was developed and synthesized to detect Li+ and CN- ions in DMSO-PBS buffer solution (10 mM, pH 7.25, v/v 1:9). MH-5 displayed a rapid and highly selective colorimetric response to both Li+ and CN-, indicated by a distinct color change from pink to pale pink in the presence of Li+ and to colorless upon CN- detection, without interference from other cations or anions. The interaction mechanisms of MH-5 with Li+ and CN- ions were investigated using various analytical techniques, including 1H NMR, ESI-MS, FT-IR spectroscopy, and Job's plot analysis. These studies suggest that CN- is detected through nucleophilic addition to the indolium moiety of MH-5, while Li+ detection occurs via coordination with oxygen atoms in the crown ether structure. The fluorescence-based detection limits for Li+ and CN- were determined to be 0.150 µM and 0.154 µM, respectively. Additionally, MH-5 was evaluated in living cells, demonstrating effective cell penetration and reliable detection of Li+ and CN- ions for potential bio-imaging applications.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A comparative study of data-independent acquisition and data-dependent acquisition in liquid chromatography-mass spectrometry-based untargeted metabolomics analysis of Panax genus sample. 基于液相色谱-质谱法的人参属样品非靶向代谢组学分析中数据独立采集与数据依赖采集的比较研究。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-02 DOI: 10.1007/s00216-025-05861-9

Yi Wu, Yang Wang

{"title":"A comparative study of data-independent acquisition and data-dependent acquisition in liquid chromatography-mass spectrometry-based untargeted metabolomics analysis of Panax genus sample.","authors":"Yi Wu, Yang Wang","doi":"10.1007/s00216-025-05861-9","DOIUrl":"https://doi.org/10.1007/s00216-025-05861-9","url":null,"abstract":"Data-independent acquisition (DIA) and data-dependent acquisition (DDA) are frequently employed in the execution of tandem mass spectrometry (MS2) analyses. This study explored the application of DIA (MSe) and DDA (fast-DDA) in liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics using Panax genus samples. MSe provided comprehensive sample information, extracting more ion peaks with better peak shape and increased scan points compared to fast-DDA. Features from MSe data are four times more than those from fast-DDA data. Fast-DDA, however, delivered high-quality MS2 data, enhancing compound annotation via the GNPS web tool. Database matches with fast-DDA data were nearly 35 times greater than those using MSe data. Therefore, combining MSe and fast-DDA can improve data analysis and metabolite annotation. An improved workflow integrating DIA and DDA was proposed, requiring additional QC sample injections for DDA analysis but eliminating the need for sample reprocessing and re-analysis, thus saving time and resources. The established workflow was applied to the Panax genus samples analysis to confirm its applicability. This study offers a deeper understanding of DIA and DDA, guiding the selection of data acquisition strategies for LC-MS-based untargeted metabolomics.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent advances in analytical methods and bioinformatic tools for quantitative glycomics. 定量糖组学分析方法和生物信息学工具的最新进展。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 Epub Date: 2025-02-13 DOI: 10.1007/s00216-025-05778-3

Jihong Lu, Shuhong Guo, Qiannan Liu, Nafisa Tursumamat, Shengyang Liu, Shuye Wu, Heming Li, Juan Wei

{"title":"Recent advances in analytical methods and bioinformatic tools for quantitative glycomics.","authors":"Jihong Lu, Shuhong Guo, Qiannan Liu, Nafisa Tursumamat, Shengyang Liu, Shuye Wu, Heming Li, Juan Wei","doi":"10.1007/s00216-025-05778-3","DOIUrl":"10.1007/s00216-025-05778-3","url":null,"abstract":"The significance of glycans in various biological processes has been widely acknowledged. Quantitative glycomics is emerging as an important addition to clinical biomarker discovery, as it helps uncover disease-associated glycosylation patterns that are valuable for diagnosis, prognosis, and treatment evaluation. Compared to glycoproteomics and other established omics approaches, quantitative glycomics exhibits greater methodological diversity and it encounters various challenges in automation and standardization. Nonetheless, numerous advancements have been made in this field over the past 5 years. Here, we have reviewed recent progress in analytical methods and software to improve mass spectrometry-based quantitative glycomics primarily on N- and O-glycosylation. The discussion is organized into four sections: stable isotopic labeling, isobaric labeling, label-free, and fluorescence labeling strategies, with a particular emphasis on quantitative data interpretation. Novel derivatization methods and advanced techniques have been developed for high-throughput and highly sensitive glycan quantification with high accuracy. However, due to variations in glycan derivatization and difficulties in structural identification, most glycomic quantification methods are tailored to specific applications, and manual inspection is frequently necessary for precise data interpretation. Therefore, further advancements in glycan sample preparation, structural characterization, and automated data interpretation are essential to facilitate comprehensive and accurate quantification across a wide array of glycans.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"1947-1959"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143412662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Polymer optical waveguide recoverable evanescent field nitroaromatics sensor based on D-π-A chromophore. 基于D-π-A发色团的聚合物光波导可回收倏逝场硝基芳烃传感器。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 Epub Date: 2025-02-12 DOI: 10.1007/s00216-025-05769-4

Jinkai Wang, Xiangzhuo Han, Yingzhe Wang, Zhanchen Cui, Zuosen Shi

{"title":"Polymer optical waveguide recoverable evanescent field nitroaromatics sensor based on D-π-A chromophore.","authors":"Jinkai Wang, Xiangzhuo Han, Yingzhe Wang, Zhanchen Cui, Zuosen Shi","doi":"10.1007/s00216-025-05769-4","DOIUrl":"10.1007/s00216-025-05769-4","url":null,"abstract":"Nitroaromatics are a significant concern due to their high explosiveness and potential for water pollution. Optical waveguide sensing technology has been employed in the detection of nitroaromatics, leveraging its advantages of affordability, high sensitivity, reusability, and effective detection results. However, most current optical waveguide sensors operate on the principle of cumulative refractive index change, which necessitates extended detection times. Additionally, although many optical waveguide sensors are reusable, they often require complex and time-consuming post-processing steps for device recovery, and their detection performance significantly degrades after multiple uses, thus limiting their practical applications. In this work, we developed an evanescent field optical waveguide sensor for the detection of nitroaromatics in water, utilizing polymeric optical waveguide materials and D-π-A chromophore molecule. We integrated the sensing molecules into the hydrophobic fluorosilicone resin upper cladding material and employed the evanescent field principle to monitor changes in the optical properties of the surface sensing molecules following their interaction with nitroaromatics. This approach not only prevented contaminant penetration into the sensor, allowing for rapid device recovery, but also facilitated quick quantitative detection. Our sensor demonstrates a detection time of approximately 5 s, a recovery time of about 3 s, and achieves a detection limit of 0.11 ppm, with performance remaining largely intact after several detection cycles.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"1885-1895"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143397582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rapid metabolic profiling and authentication of Cordyceps using ambient ionization mass spectrometry and machine learning. 使用环境电离质谱和机器学习的虫草快速代谢分析和认证。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 Epub Date: 2025-02-11 DOI: 10.1007/s00216-025-05776-5

Wenbo Ma, Mengyang Song, Zhenyang Ji, Yiping Liu, Pengjun Na, Yuze Li, Zongxiu Nie

{"title":"Rapid metabolic profiling and authentication of Cordyceps using ambient ionization mass spectrometry and machine learning.","authors":"Wenbo Ma, Mengyang Song, Zhenyang Ji, Yiping Liu, Pengjun Na, Yuze Li, Zongxiu Nie","doi":"10.1007/s00216-025-05776-5","DOIUrl":"10.1007/s00216-025-05776-5","url":null,"abstract":"Cordyceps sinensis, a symbiotic organism formed between a fungus and an insect, is celebrated for its substantial medicinal benefits and economic significance in traditional Chinese medicine. However, the market for Cordyceps sinensis is rife with counterfeits, where numerous types of Cordyceps frequently pose as the genuine species, leading to financial losses for consumers. Here, we developed an ambient ionization mass spectrometry for the metabolic analysis of four kinds of Cordyceps. We tentatively identified a total of 81 metabolites, revealing significant differences between wild-type Cordyceps sinensis and its counterfeit counterparts. The heterogeneous distribution of metabolites was also examined. Notably, ergothioneine, an antioxidant, and its precursor hercynine were found to be more abundant in the stroma compared to other sections. Then, a neural network was employed to distinguish between different Cordyceps, achieving an average classification accuracy of 90.3% in blind tests. We demonstrate the potential for on-site detection of Cordyceps using a handheld nano-electrospray ionization source in conjunction with a miniature mass spectrometer, yielding mass spectral profiles comparable to those obtained with a benchtop system.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"1935-1945"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143397587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0