Analytical Chemistry最新文献

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Zero- Fluorescence Probe for Ultrasensitive and Specific Detection of Hydrazine by Regulating the Electron-Accepting Strength 调节电子接受强度的零荧光探针用于联氨的超灵敏特异检测
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-15 DOI: 10.1021/acs.analchem.5c00343
Fang Xiao, Jiahao Dong, Rongchao Zhu, Huazangnaowu Bai, Chuanfang Zhao, Baiyi Zu, Yincang Cui, Zhenzhen Cai
{"title":"Zero- Fluorescence Probe for Ultrasensitive and Specific Detection of Hydrazine by Regulating the Electron-Accepting Strength","authors":"Fang Xiao, Jiahao Dong, Rongchao Zhu, Huazangnaowu Bai, Chuanfang Zhao, Baiyi Zu, Yincang Cui, Zhenzhen Cai","doi":"10.1021/acs.analchem.5c00343","DOIUrl":"https://doi.org/10.1021/acs.analchem.5c00343","url":null,"abstract":"The introduction of an excited-state intramolecular proton transfer (ESIPT) process is of great significance for the design of zero-background fluorescent probes with specific functionalities. Here, based on the nucleophilic attack characteristics of N<sub>2</sub>H<sub>4</sub>, a series of BDMN-based probes with dicyanoethylene as the recognition site were designed by regulating the electron-accepting ability of <i>para</i>-substituent of the dicyanoethylene and the relative position of the hydroxyl group and dicyanoethylene. It is found that a stronger electron-accepting capability could greatly improve the reactivity of the recognition site, and only when the hydroxyl group is in the <i>ortho</i>-substituent of the recognition site, the probe could react with N<sub>2</sub>H<sub>4</sub> to generate hydrazone as a proton acceptor, producing the ESIPT process and the blue-green fluorescence emission. The probe m-Br–OH-BDMN with Br as the electron-accepting group has better detection performance for N<sub>2</sub>H<sub>4</sub>, with low limit of detection (LOD, 0.46 nM), fast response (1 s), and superior selectivity even in the presence of 18 kinds of interferents. Furthermore, the practicability of the probe design strategy was further verified by the construction of a m-Br–OH-BDMN loaded silicon-based porous sensor, realizing the specific identification of N<sub>2</sub>H<sub>4</sub> vapor. The present nonfluorescent probe design strategy would provide new thoughts for the rational design of functional probes as well as high-performance sensing methodologies.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"284 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837439","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
Centrifugal Microfluidic Lateral Flow Assay Enables High Sensitivity Interleukin-6 Detection and Ultrafast Readout of Elevated Analyte Levels 离心微流控横向流动分析使白细胞介素-6检测高灵敏度和超快读数升高的分析物水平
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-15 DOI: 10.1021/acs.analchem.5c00413
Daniel M. Kainz, Bastian J. Breiner, Anna Klebes, Nadine Borst, Roland Zengerle, Felix von Stetten, Tobias Hutzenlaub, Nils Paust, Susanna M. Früh
{"title":"Centrifugal Microfluidic Lateral Flow Assay Enables High Sensitivity Interleukin-6 Detection and Ultrafast Readout of Elevated Analyte Levels","authors":"Daniel M. Kainz, Bastian J. Breiner, Anna Klebes, Nadine Borst, Roland Zengerle, Felix von Stetten, Tobias Hutzenlaub, Nils Paust, Susanna M. Früh","doi":"10.1021/acs.analchem.5c00413","DOIUrl":"https://doi.org/10.1021/acs.analchem.5c00413","url":null,"abstract":"Balancing sensitivity and time to result is always a challenging part of the development of analytical tools and is of particular importance in clinical and point-of-care diagnostics. In this study, a highly sensitive fluorescence interleukin-6 lateral flow assay (LFA) was developed using centrifugal microfluidics. The sample flow rate through the lateral flow membrane is determined by centrifugal force, which can be precisely controlled with a processing device. Using this precise flow control, an ultrafast early readout after 30 s with a sensitivity of 78.3 pg/mL and a quantitative measurement up to 2000 pg/mL was achieved. Afterward, the flow rate was reduced, and thus, the incubation time increased to achieve a maximum sensitivity of 1.2 pg/mL within 13 min of run time. This high-performance LFA is intended to help particularly vulnerable patient groups, such as pregnant women and neonates, where a rapid and highly sensitive diagnosis of inflammatory biomarkers can make a life-saving difference. In addition to medical applications, the presented system can also be used for the analysis of binding kinetics directly on the lateral flow strip. This enables the development of lateral flow assays with the highest possible sensitivity in the shortest time. Therefore, this advancement leads to a new era of point-of-care testing with future prospects for fully automated centrifugal cassettes with enhanced performance.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"26 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An Enzyme-Triggered Au–Se Nanodevice for Precise Imaging of MicroRNA 酶触发Au-Se纳米器件用于MicroRNA的精确成像
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-15 DOI: 10.1021/acs.analchem.5c00395
Ruyue Wei, Shuqi Wang, Yingbo Pan, Peng Miao, Wei Pan, Na Li, Bo Tang
{"title":"An Enzyme-Triggered Au–Se Nanodevice for Precise Imaging of MicroRNA","authors":"Ruyue Wei, Shuqi Wang, Yingbo Pan, Peng Miao, Wei Pan, Na Li, Bo Tang","doi":"10.1021/acs.analchem.5c00395","DOIUrl":"https://doi.org/10.1021/acs.analchem.5c00395","url":null,"abstract":"In situ imaging of microRNA (miRNA) in tumor cells is vital for clinical diagnosis and pathological research. However, achieving high-precision imaging is always limited by undesirable background signals. Herein, we introduced a gold–selenium-based nanodevice (AuSeND) for high-fidelity imaging of miRNA via enzyme-triggered catalytic hairpin assembly (CHA). This system employs an enzyme-activatable CHA circuit, constructed by extending a short tail at the 3′ end of hairpin H1 with an apurinic/apyrimidinic (AP) site. The CHA circuit components are connected to the surface of AuNPs via Au–Se bonds, forming a Au–Se nanodevice. It remains inactive in normal cells, while in tumor cells, the CHA circuit is activated by apurinic/apyrimidinic endonuclease 1 (APE1) in the cytoplasm, generating a fluorescence signal under miRNA stimulation for miRNA imaging. The developed AuSeND enables cancer cell-selective miRNA imaging and improves the signal-to-noise ratio by combining the high stability of the Au–Se bond with the specific regulation of the APE1 enzyme, offering strong potential for clinical diagnostic applications.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"4 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837441","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
Light-Induced Electrode Scanning Microscopy 光诱导电极扫描显微镜
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-15 DOI: 10.1021/acs.analchem.4c05588
Fengyan Hou, Huanzhou Yang, Jianjun Dong, Xia Wang, Rui Wang, Tianzhu Yu, Qiuyang Deng, Mingdong Dong, M. James C. Crabbe, Zuobin Wang
{"title":"Light-Induced Electrode Scanning Microscopy","authors":"Fengyan Hou, Huanzhou Yang, Jianjun Dong, Xia Wang, Rui Wang, Tianzhu Yu, Qiuyang Deng, Mingdong Dong, M. James C. Crabbe, Zuobin Wang","doi":"10.1021/acs.analchem.4c05588","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c05588","url":null,"abstract":"Patch clamps and microelectrode arrays have been widely used to detect the electrical properties of cells in biomedicine. Yet, both technologies can record signals only in an invasive manner or at fixed positions. Based on the resolution (LAPS) and optically induced dielectrophoretic, we present a novel light-induced electrode scanning microscopy. It works like a “radar”, scans the whole area with living cells in culture, and detects the electrical signals of single cells on a photosensitive chip. In the system, a light pattern projected onto the chip is used to form the corresponding light-induced electrode, and the electrode scanning mode is implemented by moving the light pattern or the chip position for the measurement of the electrical characteristics of biological cells and cell localizations. It provides a new tool for the detection of cell electrical properties and is expected to become the next generation of electrophysiological detection technology.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"40 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832298","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
T4 DNA Polymerase-Proofread DNA Binding Identifier for Sensitive Homogeneous Immunoassays T4 DNA聚合酶校对DNA结合标识符用于敏感的均质免疫测定
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-15 DOI: 10.1021/acs.analchem.5c00093
Yujie Guang, Man Tang, Qitao Song, Yuanyuan Huang, Long Su, Jing Wang, Yulian Dai, Zhangling Liu, Wei Cheng, Tiantian Yang
{"title":"T4 DNA Polymerase-Proofread DNA Binding Identifier for Sensitive Homogeneous Immunoassays","authors":"Yujie Guang, Man Tang, Qitao Song, Yuanyuan Huang, Long Su, Jing Wang, Yulian Dai, Zhangling Liu, Wei Cheng, Tiantian Yang","doi":"10.1021/acs.analchem.5c00093","DOIUrl":"https://doi.org/10.1021/acs.analchem.5c00093","url":null,"abstract":"Aptamer-based homogeneous immunoassays exhibit considerable potential in the domains of bioanalysis and biodiagnosis owing to their universality in analyzing both proteins and small molecules as well as their compatibility with nucleic acid amplification technologies. Nevertheless, the substantial signal leakage by nonspecific aptamer allostery poses a challenge to enhancing sensitivity further. Herein, we reported a T4 DNA polymerase-proofread DNA binding identifier (ReID). This strategy could harness the dual-enzymatic activity of T4 DNA polymerase to eliminate the leaked signal, thereby efficiently integrating target-induced aptamer allostery with subsequent polymerase chain reaction signal amplification. Moreover, we explored the regulation mechanism of dNTPs concentration on the dual-enzymatic activity of the T4 DNA polymerase. As a result, this strategy achieved an ultrasensitive protein detection limit of 8 fg/mL, validating the effectiveness of this proofreading approach. The universality was further confirmed by highly sensitive detection of small molecules. The exploration of ReID represents a significant advancement in the sensitivity and universality of immunoassays, even demonstrating the potential for multiple proteomic assays, offering a novel perspective for the development of high-performance homogeneous immunoassays.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"22 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832299","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
Mechanistic Study of the Deuterium Effect in Chromatographic Separation for Chemical-Tagging Metabolomics and Its Application to Biomarker Discovery in Metabolic Dysfunction-Associated Steatohepatitis 化学标记代谢组学色谱分离中氘效应的机制研究及其在代谢功能障碍相关脂肪性肝炎生物标志物发现中的应用
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-15 DOI: 10.1021/acs.analchem.5c00289
Yugo Akioka, Tomoya Higuchi, Takahiro Takayama, Mayuko Ichimura-Shimizu, Koichi Tsuneyama, Koichi Inoue
{"title":"Mechanistic Study of the Deuterium Effect in Chromatographic Separation for Chemical-Tagging Metabolomics and Its Application to Biomarker Discovery in Metabolic Dysfunction-Associated Steatohepatitis","authors":"Yugo Akioka, Tomoya Higuchi, Takahiro Takayama, Mayuko Ichimura-Shimizu, Koichi Tsuneyama, Koichi Inoue","doi":"10.1021/acs.analchem.5c00289","DOIUrl":"https://doi.org/10.1021/acs.analchem.5c00289","url":null,"abstract":"Over the past decade, numerous metabolomics techniques have been developed using liquid chromatography–mass spectrometry (LC-MS). These methodologies have yielded significant findings and facilitated the identification of biomarkers. Among these, chemical-tagging methodologies combined with isotope surrogate tags have garnered considerable attention as a leading approach. Chemical-tagging reduces labor and costs by eliminating the need for internal standard preparation. However, the chromatographic deuterium effect (CDE) has persisted as a significant challenge. CDE poses a risk of data misinterpretation in metabolomics due to potential differences in matrix effects. Although the CDE mechanism has been partially elucidated, it has primarily been attributed to differences in hydrophobicity. A detailed understanding of CDE mechanisms would be valuable for designing chemical tags and optimizing liquid chromatography (LC) conditions. Moreover, emphasizing the CDE could aid in the separation and purification of deuterated compounds. In this study, we investigated the mechanistic basis of the CDE. Initially, four chromatography columns with different separation modes─octadecyl, octadecyl with a positively charged surface, biphenyl, and pentafluorophenyl (PFP) groups─were evaluated based on retention differences between <sup>1</sup>H- and <sup>2</sup>H<sub>6</sub>-labeled chemically tagged metabolites. Among these, the PFP column demonstrated the most effective reduction of the CDE, suggesting that electronic interactions with fluorine stabilized <sup>2</sup>H-labeled metabolites. Further optimization using the PFP column showed its efficacy in reducing the level of CDE in human serum samples. Finally, the optimized approach was successfully applied to global metabolomics analysis of serum from a mouse model of metabolic dysfunction-associated steatohepatitis.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"139 2 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832304","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
BE-CATCH: Bioamplifier-Equipped CRISPR-Cas12a Transduction System Coupled with Commercial Pregnancy Test Strips to Harness Signal-on Point-of-Care Detection BE-CATCH:配备生物放大器的CRISPR-Cas12a转导系统与商业妊娠试纸条相结合,以利用护理点检测信号
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-15 DOI: 10.1021/acs.analchem.5c00342
Tongshan Zuo, Xiang Chen, Yan Yu, Lulu Qin, Guanhong Xu, Fangdi Wei, Jing Yang, Chenglin Zhou, Lin Fan, Qin Hu, Zheng Zhao, Ben Zhong Tang, Yao Cen
{"title":"BE-CATCH: Bioamplifier-Equipped CRISPR-Cas12a Transduction System Coupled with Commercial Pregnancy Test Strips to Harness Signal-on Point-of-Care Detection","authors":"Tongshan Zuo, Xiang Chen, Yan Yu, Lulu Qin, Guanhong Xu, Fangdi Wei, Jing Yang, Chenglin Zhou, Lin Fan, Qin Hu, Zheng Zhao, Ben Zhong Tang, Yao Cen","doi":"10.1021/acs.analchem.5c00342","DOIUrl":"https://doi.org/10.1021/acs.analchem.5c00342","url":null,"abstract":"Repurposing existing commercial diagnostic equipment to enable portable analysis of diverse targets is driving the development of affordable point-of-care testing (POCT). Interestingly, we found that goat antimouse IgG could replace human chorionic gonadotropin (hCG) to make the T line of pregnancy test strips (PTS) appear red color and accordingly synthesized a novel signal output probe, which eliminated the intricate hCG covalent coupling steps, and could meet the multiple needs of expanded POCT. Given this, we introduced a novel separation-free universal POCT strategy termed <u>b</u>ioamplifier-<u>e</u>quipped CRISPR-<u>Ca</u>s12a <u>t</u>ransduction system <u>c</u>oupled with PTS to <u>h</u>arness signal-on detection (BE-CATCH). Specifically, target inputs were converted and amplified by the multiplied strand displacement amplification-based bioamplifier, thereby activating Cas12a’s <i>trans</i>-cleavage activity. Then, the activated Cas12a would cleave the connector indiscriminately, which ultimately kept the signal output probe in a free state; thus, the inputs could be translated into a colorimetric signal on the PTS. This strategy not only provided boosted sensitivity and specificity but also enhanced user-friendliness by maintaining the signal-on detection mode. We also demonstrated the versatility of the BE-CATCH strategy through selectively detecting miR-155 and flap endonuclease 1. Given its broad adaptability, the BE-CATCH strategy could provide an appealing option to broaden the application of PTS in biomedical diagnostics.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"3 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837443","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
Metallic Dendrites: How Far Can We Go? 金属枝晶:我们能走多远?
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-14 DOI: 10.1021/acs.analchem.4c06456
Rohini Kumari, Shubhangi, Daphika S. Dkhar, Pranjal Chandra
{"title":"Metallic Dendrites: How Far Can We Go?","authors":"Rohini Kumari, Shubhangi, Daphika S. Dkhar, Pranjal Chandra","doi":"10.1021/acs.analchem.4c06456","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c06456","url":null,"abstract":"Metallic dendrites, novel hierarchical nanostructures with a distinctive fern- or tree-like appearance, introduce a new era in sensing and wearable technologies. They possess several properties, including high surface area, crystal defects, grain boundaries, and edge sites, all of which contribute to an increased number of catalytic sites for sensing and wearable platforms, as well as functionalization sites for antibodies and drug molecules’ adhesion. The aforementioned characteristics endow them with superior conductivity and enhanced catalytic activity, thereby facilitating improved mass and charge transfer rates of analytes in catalytic platforms. Since their discovery, there has been substantial progress in their synthesis, nanoengineering with composites, and extensive analytical applications in diverse domains, such as sensor platforms and wearables, fuel cells, supercapacitors, and drug delivery. Although platforms based on dendrites have performed well over the past ten years, their commercialization has yet to take place for a variety of reasons, primarily being the challenge to achieve homogeneity in large-scale synthesis due to uncontrolled development. Besides this, other challenges include transitioning to non-noble metals while still maintaining high activity and stability, as well as their sluggish metabolism <i>in vivo</i> following drug delivery and poor excretion by the body, which collectively hinder their translation. This Perspective encompasses important breakthroughs of metallic dendrites and analytical platforms based upon them, crucial knowledge gaps, and bottlenecks in commercialization with an eye towards the future of dendrite-based sensing, wearable electronics, as well as other such platforms.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"7 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832306","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
Skylite: Skyline-Based Lipid Isomer Retention Time Evaluation for Lipidomics in Metabolic Dysfunction-Associated Steatohepatitis Skylite:基于skyline的脂质异构体保留时间评估在代谢功能障碍相关脂肪性肝炎中的脂质组学研究
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-14 DOI: 10.1021/acs.analchem.4c06503
Jan Philipp Menzel, Fabienne E. Birrer, Deborah Stroka, Mojgan Masoodi
{"title":"Skylite: Skyline-Based Lipid Isomer Retention Time Evaluation for Lipidomics in Metabolic Dysfunction-Associated Steatohepatitis","authors":"Jan Philipp Menzel, Fabienne E. Birrer, Deborah Stroka, Mojgan Masoodi","doi":"10.1021/acs.analchem.4c06503","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c06503","url":null,"abstract":"Metabolic dysfunction-associated steatotic liver disease (MASLD) is the most prevalent liver disorder worldwide and can progress to steatohepatitis. Elevated de novo lipogenesis (DNL) is a key contributor to hepatic steatosis. Fatty acid (FA) desaturation produces several unsaturated lipid isomers that are structurally very similar but have diverse biological functions. However, due to their structural similarity, many conventional mass spectrometry approaches cannot detect such metabolic alterations. Thus, we introduce the Skylite (Skyline-based lipid isomer retention time evaluation) workflow using conventional liquid chromatography–mass spectrometry (LC–MS) to identify important isomer features. Retention times of isomeric phosphatidylcholines are compared with the well-characterized human plasma reference standard NIST 1950. Retention time trends correlate well with fixed-charge derivatized FA in liquid chromatography and ozone-induced dissociation mass spectrometry data. The interpretation is supported by double bond diagnostic fragments in LC–MS/MS experiments of epoxidized hydrolyzed fatty acids. We investigate hepatic lipid profiles, focusing on esterified fatty acids in two mouse models of metabolic dysfunction-associated steatohepatitis (MASH). Out of 37 phosphatidylcholine sum compositions, the workflow identifies 123 lipid features. Importantly, CCl<sub>4</sub>-induced and melanocortin-4 receptor knockout mice on a western diet (WD) have significantly higher levels of mead acid, branched-chain fatty acid, and <i>n</i>-7 PUFA incorporated into phosphatidylcholines. While the MASH mouse liver tissues contain notable amounts of <i>n</i>-7 PUFA, no <i>n</i>-10 PUFA were detected, potentially indicating a unique desaturation pattern. The screening for altered lipid isomer profiles bridges the gap between high-throughput analyses and specialized structure-resolved techniques.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"39 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143827529","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
Raman Peak Features Matching: Enhancing Spectral Analysis through Feature Augmentation 拉曼峰特征匹配:通过特征增强增强光谱分析
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-04-14 DOI: 10.1021/acs.analchem.4c06679
Pengju Yin, Xichao Lian, Xiaoyao Wu, Yumeng Xiao, Chenyao Feng, Yuxuan Lv, Langlang Yi, Minghui Liang, Guanqun Ge, Klyuyev Dmitriy, Bo Hu
{"title":"Raman Peak Features Matching: Enhancing Spectral Analysis through Feature Augmentation","authors":"Pengju Yin, Xichao Lian, Xiaoyao Wu, Yumeng Xiao, Chenyao Feng, Yuxuan Lv, Langlang Yi, Minghui Liang, Guanqun Ge, Klyuyev Dmitriy, Bo Hu","doi":"10.1021/acs.analchem.4c06679","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c06679","url":null,"abstract":"Raman spectroscopy has emerged as a pivotal technology in modern scientific research and industrial applications, offering nondestructive, high-resolution analysis with robust molecular fingerprinting capabilities. The extraction of Raman spectral features is a critical step in spectral data analysis, directly influencing sample identification, classification, and quantitative outcomes. However, integrating important data features from machine learning models with context-specific biosignatures to derive meaningful insights into spectral analysis remains a significant challenge. Herein, the Raman Peak Feature Matching (RPFM) method is proposed, which matches protein peak features with salient breast cell data features extracted from the machine learning models. Feature augmentation is subsequently applied to the matching-retained breast cell features, thereby enhancing spectral analysis capabilities. The RPFM method is applied to breast cell spectra for feature augmentation with a reclassification accuracy of 97.12% using a linear support vector machine model, achieving an 8.34% improvement over the model’s performance without feature augmentation. The RPFM method has also been successfully implemented in generalized linear logistic regression and tree-based eXtreme gradient boosting, demonstrating its versatility across diverse machine learning algorithms. The RPFM method leverages data-driven machine learning models while compensating for the inability to take into account specific specialized background knowledge. This methodology significantly advances the accuracy and efficacy of spectral analysis in biological and medical applications, offering a novel framework for machine learning algorithms to perform augmented Raman spectral analysis.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"108 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832307","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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