Analytical and Bioanalytical Chemistry最新文献_第7页

Non-target screening reveals 124 PFAS at an AFFF-impacted field site in Germany specified by novel systematic terminology. 通过新的系统术语，在德国受 AFFF 影响的田间发现了 124 种 PFAS。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-28 DOI: 10.1007/s00216-024-05611-3

Melanie Schüßler, Catharina Capitain, Boris Bugsel, Jonathan Zweigle, Christian Zwiener

{"title":"Non-target screening reveals 124 PFAS at an AFFF-impacted field site in Germany specified by novel systematic terminology.","authors":"Melanie Schüßler, Catharina Capitain, Boris Bugsel, Jonathan Zweigle, Christian Zwiener","doi":"10.1007/s00216-024-05611-3","DOIUrl":"https://doi.org/10.1007/s00216-024-05611-3","url":null,"abstract":"The uncontrolled release of aqueous film-forming foam (AFFF) ingredients during a major fire incident in Reilingen, Germany, in 2008 led to significant soil and groundwater contamination. As the identity of fluorochemical surfactants in AFFF are often veiled due to company secrets, it is important to characterize AFFF contaminations and their impact on the environment comprehensively. In this study, we adapted a systematic approach combining a suitable extraction method with liquid chromatography high-resolution quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) for an extensive non-targeted analysis. Our analysis identified 124 per- and polyfluoroalkyl substances (PFAS) from 42 subclasses in the contaminated soil (confidence levels of identification between 1 and 3). Typical for AFFF-impacted field sites, these included anionic, cationic, and zwitterionic substances with perfluoroalkyl chains spanning from 3 to 14 carbon atoms. Furthermore, we identified 1 previously unreported substance, and detected 9 PFAS subclasses for the first time in soil. AFFFs have long been employed to extinguish large hydrocarbon fires, yet their environmental consequences remain a concern. This study sheds light on the complex composition of AFFFs at this particularly contaminated area, emphasizing the necessity for extensive contaminant characterization as sound basis for informed management strategies to mitigate their adverse effects. AFFF PFAS are often named differently in the literature, leading to inconsistency in terminology. To address this issue, we introduced partially new terminology for AFFF-related PFAS to establish consistent terminology, to facilitate communication of identified compounds, and to ensure that the chemical structure can be directly derived from acronyms.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492490","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

Core-shell structures assembled from magnetic covalent organic frameworks as a Ti⁴⁺-fixed affinity substrate for the identification of phosphopeptides in colorectal cancer serum. 用磁性共价有机框架组装的核壳结构作为 Ti4+ 固定亲和底物，用于鉴定结直肠癌血清中的磷酸肽。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-28 DOI: 10.1007/s00216-024-05620-2

Jiakai Chen, Xinyue Zhou, Zhenzhen Cao, Bing Wang, Chuan-Fan Ding, Yinghua Yan

{"title":"Core-shell structures assembled from magnetic covalent organic frameworks as a Ti4+-fixed affinity substrate for the identification of phosphopeptides in colorectal cancer serum.","authors":"Jiakai Chen, Xinyue Zhou, Zhenzhen Cao, Bing Wang, Chuan-Fan Ding, Yinghua Yan","doi":"10.1007/s00216-024-05620-2","DOIUrl":"https://doi.org/10.1007/s00216-024-05620-2","url":null,"abstract":"When it comes to the early detection of colorectal cancer (CRC), the study of protein phosphorylation is crucial. This work used magnetic covalent organic framework (COF) materials as substrates. The magCOF@PM-Ti4+ composites were obtained by constructing the three-dimensional cross-linked structures and chelating them with Ti4+ in a green and economical way, which was utilized to identify the phosphopeptides. This material possesses magnetic properties that facilitate simplified experimental manipulation, has superior sensitivity (0.2 fmol), excellent selectivity (1000:1), and good reusability (10 cycles), and achieves outstanding recovery rates (103.4 ± 1.2%). In addition, magCOF@PM-Ti4+ was utilized to identify phosphopeptides in human serum. One hundred phosphopeptides were identified from three normal control serums, whereas 98 phosphopeptides were identified from three CRC serums. The results demonstrated that magCOF@PM-Ti4+ has great potential in efficiently identifying low-abundance phosphopeptides.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520644","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

Illustrate the metabolic regulatory mechanism of Taohong Siwu decoction in ischemic stroke by mass spectrometry imaging. 通过质谱成像，说明桃红四物汤对缺血性中风的代谢调控机制。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-28 DOI: 10.1007/s00216-024-05591-4

Xiaoqun Wang, Xueting Zhang, Jiayu Zhang, Hanxue Yang, Zhuqing Liu, Daiyin Peng, Lan Han

{"title":"Illustrate the metabolic regulatory mechanism of Taohong Siwu decoction in ischemic stroke by mass spectrometry imaging.","authors":"Xiaoqun Wang, Xueting Zhang, Jiayu Zhang, Hanxue Yang, Zhuqing Liu, Daiyin Peng, Lan Han","doi":"10.1007/s00216-024-05591-4","DOIUrl":"https://doi.org/10.1007/s00216-024-05591-4","url":null,"abstract":"Metabolic dysregulation in the ischemic region has been increasingly recognized as a contributing factor to ischemic stroke pathogenesis. Taohong Siwu decoction (THSWD), a traditional Chinese medicine preparation used to enhance blood circulation, is frequently employed in treating ischemic stroke. However, the metabolic regulatory mechanism underlying the therapeutic effects of THSWD in ischemic stroke remains largely unexplored. In this study, we employed desorption electrospray ionization mass spectrometry imaging (DESI-MSI) to investigate the metabolic changes in the brain tissue of ischemic stroke rat model. Our investigation revealed that 30 metabolites exhibited significant dysregulation in the ischemic brain regions, specifically the cortex and striatum, following ischemic injury. Following the treatment of THSWD, almost all the dysregulated metabolites got different degrees of callback. Further pathway analysis indicated that THSWD might exert its therapeutic effects by restoring energy metabolism, improving neurotransmitter metabolism, recovering polyamine metabolism, and so on. DESI-MSI offers a favorable methodology for investigating the alterations in the spatial distribution and level within the ischemic brain region following treatment with THSWD in ischemic stroke. These findings provide a novel perspective on the underlying mechanisms of the efficacy of THSWD in ischemic stroke treatment.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520645","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

REverse transcriptase ACTivity (REACT) assay for point-of-care measurement of established and emerging antiretrovirals for HIV treatment and prevention. 逆转录酶活性（REACT）测定法，用于对用于艾滋病治疗和预防的成熟和新兴抗逆转录病毒药物进行床旁测量。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-28 DOI: 10.1007/s00216-024-05602-4

Cara Brainerd, Maya A Singh, John Tatka, Cosette Craig, Shane Gilligan-Steinberg, Nuttada Panpradist, Megan M Chang, Barry Lutz, Ayokunle O Olanrewaju

{"title":"REverse transcriptase ACTivity (REACT) assay for point-of-care measurement of established and emerging antiretrovirals for HIV treatment and prevention.","authors":"Cara Brainerd, Maya A Singh, John Tatka, Cosette Craig, Shane Gilligan-Steinberg, Nuttada Panpradist, Megan M Chang, Barry Lutz, Ayokunle O Olanrewaju","doi":"10.1007/s00216-024-05602-4","DOIUrl":"https://doi.org/10.1007/s00216-024-05602-4","url":null,"abstract":"Maintaining adequate levels of antiretroviral (ARV) medications is crucial for the efficacy of HIV treatment and prevention regimens. Monitoring ARV levels can predict or prevent adverse health outcomes like treatment failure or drug resistance. However, conventional ARV measurement using liquid chromatography-tandem mass spectrometry (LC-MS/MS) is slow, expensive, and centralized delaying clinical and behavioral interventions. We previously developed a rapid enzymatic assay for measuring nucleotide reverse transcriptase inhibitors (NRTIs) - the backbone of HIV treatment and prevention regimens - based on the drugs' termination of DNA synthesis by HIV reverse transcriptase (RT) enzyme. Here, we expand our work to include non-nucleoside reverse transcriptase inhibitors (NNRTIs) - an ARV class used in established and emerging HIV treatment and prevention regimens. We demonstrate that the REverse Transcriptase ACTivity (REACT) assay can detect NNRTIs including medications used in oral and long-acting/extended-release HIV treatment and prevention. We demonstrate that REACT can measure NNRTIs spiked in either buffer or diluted plasma and that fluorescence can be measured on both a traditional plate reader and an inexpensive portable reader that can be deployed in point-of-care (POC) settings. REACT measured clinically relevant concentrations of five NNRTIs spiked in aqueous buffer. REACT measurements showed excellent agreement between the plate reader and the portable reader, with a high correlation in both aqueous buffer (Pearson's r = 0.9807, P < 0.0001) and diluted plasma (Pearson's r = 0.9681, P < 0.0001). REACT has the potential to provide rapid measurement of NNRTIs in POC settings and may help to improve HIV treatment and prevention outcomes.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520646","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

Validation of a smartphone-compatible MIP-based sensor for bisphenol A determination in wastewater samples. 验证兼容智能手机的基于 MIP 的传感器在废水样本中测定双酚 A。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-28 DOI: 10.1007/s00216-024-05616-y

Daria Yarynka, Anton Honcharenko, Larysa Gorbach, Elena Piletska, Sergey Piletsky, Oleksandr Brovko, Tetyana Sergeyeva

{"title":"Validation of a smartphone-compatible MIP-based sensor for bisphenol A determination in wastewater samples.","authors":"Daria Yarynka, Anton Honcharenko, Larysa Gorbach, Elena Piletska, Sergey Piletsky, Oleksandr Brovko, Tetyana Sergeyeva","doi":"10.1007/s00216-024-05616-y","DOIUrl":"https://doi.org/10.1007/s00216-024-05616-y","url":null,"abstract":"A handheld smartphone-compatible molecularly imprinted polymer (MIP)-based sensor was developed for the analysis of bisphenol A (BPA) in wastewater samples. Sensing elements based on ethylene glycol methacrylate phosphate (EGMP)-containing MIP films were designed and optimized using molecular dynamics simulations. The highly porous MIP films were synthesized via in situ polymerization, employing a fragment-based approach. The colorimetric response was based on the 4-aminoantipyrine method, while the MIP films were further utilized to detect BPA with a smartphone. The proposed sensor exhibited a wide linear range from 5 to 250 μM, with a limit of detection (LOD) of 5 μM (S/N = 3). Furthermore, the designed analytical system demonstrated excellent analytical performance in terms of selectivity, stability, and reproducibility. During sensor validation, real wastewater samples were successfully tested for BPA, showcasing the feasibility of the smartphone-compatible MIP-based sensor. Recovery values of 87.1-114.6% underscored the efficacy and reliability of the developed sensor system.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492494","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

Early developments toward HbA_1c determination in whole blood by high-speed sample preparation and LC-MS/MS analysis. 通过高速样品制备和 LC-MS/MS 分析测定全血中 HbA1c 的早期进展。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-26 DOI: 10.1007/s00216-024-05601-5

Indranil Mitra, Andreas Leinenbach, Andrea Geistanger, Andreas Huber, Thomas Dülffer, Susanne Adam, Lars Hillringhaus, Martin Silvestre, Holger Busskamp, Sven Vopel

{"title":"Early developments toward HbA1c determination in whole blood by high-speed sample preparation and LC-MS/MS analysis.","authors":"Indranil Mitra, Andreas Leinenbach, Andrea Geistanger, Andreas Huber, Thomas Dülffer, Susanne Adam, Lars Hillringhaus, Martin Silvestre, Holger Busskamp, Sven Vopel","doi":"10.1007/s00216-024-05601-5","DOIUrl":"https://doi.org/10.1007/s00216-024-05601-5","url":null,"abstract":"We report a method to determine HbA1c (glycated hemoglobin) where whole blood samples are prepared by fast hemolysis (dilution with deionized water and vortex mixing), digestion with 0.6 mg/mL endoproteinase Glu C (Glu C) in 30 mM ammonium acetate buffer (pH 4.3) at 37 °C for 45 min, and termination of the digestion by diluting with 0.1% formic acid in water, and then analysis by a gradient liquid chromatography-tandem mass spectrometry (LC-MS/MS) method with a run time of 36 s. The method is linear between 0 and 200 HbA1c/mol Hb (IFCC) with a correlation coefficient of 0.999, providing an inter-day reproducibility between 1.3 and 2.3% CV, and comparable with results from analysis of the same samples on the Roche Cobas® c 513 clinical analyzer with a correlation coefficient of 0.998. In two alternative detection workflows that were not characterized in detail, the same digested samples were purified by a magnetic bead-based solid-phase extraction (SPE) method requiring about 10 min and then analyzed using either an isocratic LC-MS/MS method or a flow injection analysis (FIA)-MS/MS method with run times of 12 s and 18 s, respectively. Our work demonstrates the feasibility of LC-MS-based methods for HbA1c determination that minimize the time required for sample preparation and measurement while preserving analytical performance and are thereby more suitable for routine clinical settings compared to traditional methods which require up to 25 h and 23 min, respectively, to prepare and measure samples.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492487","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

Preparation of divalent camelid single-domain antibody and its application in immunoassays for Salmonella detection in food. 二价骆驼单域抗体的制备及其在食品中沙门氏菌检测免疫测定中的应用

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-26 DOI: 10.1007/s00216-024-05610-4

Yanhong Chen, Yingjie Huang, Ruo Yang, Yongliang Cui, Yanru Wang, Xiaohong Wang, Jia Wang

{"title":"Preparation of divalent camelid single-domain antibody and its application in immunoassays for Salmonella detection in food.","authors":"Yanhong Chen, Yingjie Huang, Ruo Yang, Yongliang Cui, Yanru Wang, Xiaohong Wang, Jia Wang","doi":"10.1007/s00216-024-05610-4","DOIUrl":"https://doi.org/10.1007/s00216-024-05610-4","url":null,"abstract":"Salmonella-related foodborne infections are commonly caused by the serovars of S. Typhimurium, which can be detected using antibody-based immunoassays. The monovalent variable domain of the camelid heavy chain antibody (VHH) performs excellently in constructing multivalent VHH variants, which generally exhibit higher affinities with antigens and consequently enhance the assay sensitivity. In this study, the divalent variants of VHHs (diVHHs) targeting S. Typhimurium were generated by encoding the monovalent VHH genes assembled in tandem with a flexible linker peptide (G4S)2. Soluble diVHHs were produced in a prokaryotic expression system and purified with a yield of 4.22 mg/L. Benefiting from their stability and antigen-binding abilities towards tested Salmonella serovars, diVHH-based immunoassays were developed. The diVHH-based sandwich immunoassay, using diVHH as capture antibody, exhibited a detection limit of 1.04×102 CFU/mL and enabled as low as 10 CFU/mL S. Typhimurium to be detected after 6 h of enrichment in lettuce. Furthermore, this assay can be applied to spiked lettuce, chicken, and pork samples, showing acceptable recoveries ranging from 83 to 106%. This study presented feasible strategies for VHH multivalence and established a superior sensitivity VHH-based immunoassay for monitoring and analyzing Salmonella contamination in food.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492491","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

Simple solution and paper-based fluorescent aptasensors for toxic metal ions, thallium(l) and lead(ll). 针对有毒金属离子铊（l）和铅（ll）的简易溶液和纸基荧光传感器。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-26 DOI: 10.1007/s00216-024-05614-0

Sathya Srinivasan, Velu Ranganathan, Erin M McConnell, Maria C DeRosa

{"title":"Simple solution and paper-based fluorescent aptasensors for toxic metal ions, thallium(l) and lead(ll).","authors":"Sathya Srinivasan, Velu Ranganathan, Erin M McConnell, Maria C DeRosa","doi":"10.1007/s00216-024-05614-0","DOIUrl":"https://doi.org/10.1007/s00216-024-05614-0","url":null,"abstract":"Heavy metal ions, such as thallium(I) and lead(II) are environmental toxicants known to cause a severe threat to human and ecosystem health. This work investigates aptamers and intercalating chromophore-based complexes for the detection of these toxic species. In one method, a selective label-free \"turn-on\" biosensor was developed using a G-quadruplex-intercalating agent, berberine. Fluorescence, melting temperature (Tm), and circular dichroism analysis confirmed the affinity and selectivity results, illustrating the potential of these aptasensor methods for improving detection limits. These fluorescence assays were found to perform with a detection limit of 3.4 μM for Tl(I) and 0.84 nM for Pb(II). Furthermore, the assays were challenged successfully with Tl(I) and Pb(II) spiked into river water samples. We next developed paper-based fluorescent assays for Tl(I) and Pb(II), where the aptamer/berberine complex was spotted onto the paper test zone. When Tl(I) or Pb(II) ions solutions were spotted onto the top of the test zone and the spot was illuminated with a portable UV light (365 nm), a strong green fluorescence could be easily visualized with the naked eye. The lowest detection limits achieved with these fluorescent paper-based assays for Tl(I) and Pb(II) were 1.1 nM and 1.6 nM, respectively. The two fluorescent approaches presented here have the potential to be the basis of rapid, fast, and cost-efficient screening assays for these toxic species.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492493","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

Development and application of a dual isotopic labeling method for enhanced detection and quantification of stimulants in urine samples using high-resolution mass spectrometry. 开发和应用双同位素标记法，利用高分辨率质谱仪加强尿样中兴奋剂的检测和定量。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-25 DOI: 10.1007/s00216-024-05612-2

Yang Wang, Wanli Li, Xiaojun Deng

引用次数: 0

Leveraging the potential of 1.0-mm i.d. columns in UHPLC-HRMS-based untargeted metabolomics. 在基于 UHPLC-HRMS 的非靶向代谢组学研究中发挥 1.0 毫米内径色谱柱的潜力。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-10-24 DOI: 10.1007/s00216-024-05588-z

Danila La Gioia, Emanuela Salviati, Manuela Giovanna Basilicata, Claudia Felici, Oronza A Botrugno, Giovanni Tonon, Eduardo Sommella, Pietro Campiglia

{"title":"Leveraging the potential of 1.0-mm i.d. columns in UHPLC-HRMS-based untargeted metabolomics.","authors":"Danila La Gioia, Emanuela Salviati, Manuela Giovanna Basilicata, Claudia Felici, Oronza A Botrugno, Giovanni Tonon, Eduardo Sommella, Pietro Campiglia","doi":"10.1007/s00216-024-05588-z","DOIUrl":"10.1007/s00216-024-05588-z","url":null,"abstract":"Untargeted metabolomics UHPLC-HRMS workflows typically employ narrowbore 2.1-mm inner diameter (i.d.) columns. However, the wide concentration range of the metabolome and the need to often analyze small sample amounts poses challenges to these approaches. Reducing the column diameter could be a potential solution. Herein, we evaluated the performance of a microbore 1.0-mm i.d. setup compared to the 2.1-mm i.d. benchmark for untargeted metabolomics. The 1.0-mm i.d. setup was implemented on a micro-UHPLC system, while the 2.1-mm i.d. on a standard UHPLC, both coupled to quadrupole-orbitrap HRMS. On polar standard metabolites, a sensitivity gain with an average 3.8-fold increase over the 2.1-mm i.d., along with lower LOD (LODavg 1.48 ng/mL vs. 6.18 ng/mL) and LOQ (LOQavg 4.94 ng/mL vs. 20.60 ng/mL), was observed. The microbore method detected and quantified all metabolites at LLOQ with respect to 2.1, also demonstrating good repeatability with lower CV% for retention times (0.29% vs. 0.63%) and peak areas (4.65% vs. 7.27%). The analysis of various samples, in both RP and HILIC modes, including different plasma volumes, dried blood spots (DBS), and colorectal cancer (CRC) patient-derived organoids (PDOs), in full scan-data dependent mode (FS-DDA) reported a significant increase in MS1 and MS2 features, as well as MS/MS spectral matches by 38.95%, 39.26%, and 18.23%, respectively. These findings demonstrate that 1.0-mm i.d. columns in UHPLC-HRMS could be a potential strategy to enhance coverage for low-amount samples while maintaining the same analytical throughput and robustness of 2.1-mm i.d. formats, with reduced solvent consumption.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492488","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