Analytical and Bioanalytical Chemistry最新文献_第8页

Impact of glass packaging leaching on the uncertainty of inorganic standard solutions.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-08 DOI: 10.1007/s00216-025-05758-7

Juliana Serna Saiz, Diego Alejandro Ahumada Forigua, Paula Lucía Sánchez García

{"title":"Impact of glass packaging leaching on the uncertainty of inorganic standard solutions.","authors":"Juliana Serna Saiz, Diego Alejandro Ahumada Forigua, Paula Lucía Sánchez García","doi":"10.1007/s00216-025-05758-7","DOIUrl":"https://doi.org/10.1007/s00216-025-05758-7","url":null,"abstract":"The stability of certified reference materials (CRMs) is essential for ensuring reliable measurements and maintaining metrological traceability. This study presents the first comprehensive evaluation of leaching-induced uncertainty using advanced modeling approaches. We analyzed the leaching behavior of elements such as B, Na, Mg, Ca, and Zn from glass ampoules under controlled conditions, including exposure to 5% nitric acid at 50 °C for 28 days. The analysis detected significant concentrations of these elements, while others like Fe, Cd, and Pb were not detected. By applying logarithmic regression models, we predicted leaching behavior over a 365-day CRM shelf life. The results indicated that, although leaching led to concentration increases-26% for B, 28% for Na, and 15% for Mg-the associated uncertainty remained low, around 0.01% for standard concentrations of 1000 mg kg <math><mmultiscripts><mrow></mrow> <mrow></mrow> <mrow><mo>-</mo> <mn>1</mn></mrow> </mmultiscripts> </math> . These findings highlight the reliability of glass ampoules as a packaging option for CRMs and establish a methodological foundation for incorporating leaching effects into uncertainty estimations. This approach supports the development of improved storage protocols and enhances the long-term stability and accuracy of CRMs, contributing to advancements in the chemical metrology area.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373640","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

GNOme, an ontology for glycan naming and subsumption.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-08 DOI: 10.1007/s00216-025-05757-8

Wenjin Zhang, Michelle Vesser, Nathan Edwards

引用次数: 0

A novel method for semi-quantitative detection of HPV16 and HPV18 mRNA with a low-cost, open-source fluorimeter.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-07 DOI: 10.1007/s00216-025-05765-8

Kathryn A Kundrod, Mary E Natoli, Chelsey A Smith, Jackson B Coole, Megan M Chang, Emilie Newsham Novak, Elizabeth Chiao, Elizabeth A Stier, Jane R Montealegre, Michael E Scheurer, Philip E Castle, Kathleen M Schmeler, Rebecca R Richards-Kortum

{"title":"A novel method for semi-quantitative detection of HPV16 and HPV18 mRNA with a low-cost, open-source fluorimeter.","authors":"Kathryn A Kundrod, Mary E Natoli, Chelsey A Smith, Jackson B Coole, Megan M Chang, Emilie Newsham Novak, Elizabeth Chiao, Elizabeth A Stier, Jane R Montealegre, Michael E Scheurer, Philip E Castle, Kathleen M Schmeler, Rebecca R Richards-Kortum","doi":"10.1007/s00216-025-05765-8","DOIUrl":"https://doi.org/10.1007/s00216-025-05765-8","url":null,"abstract":"Despite global calls to eliminate cervical cancer, rates of cervical cancer incidence and mortality remain high in resource-limited settings, where it is challenging to implement and sustain screening, diagnosis, and treatment programs. The presence of high-risk HPV mRNA in cervical cells is a sensitive and specific biomarker of cervical precancer. Yet, current testing methods are too costly and complex for use in resource-limited settings. Here, we present a novel method for semi-quantitative detection of HPV16 and HPV18 mRNA with minimal infrastructure requirements. The assay relies on isothermal reverse transcription recombinase polymerase amplification (RT-RPA) with real-time fluorescence readout, demonstrated on rugged, portable, and affordable instruments. We demonstrate adapting the assay from DNA detection to RNA detection, characterizing the test with samples of increasing biological complexity, and ultimately establishing a limit of detection of 1000 HPV16 or HPV18 transcripts per reaction with RNA extracted from cell lines. HPV16 and HPV18 mRNA assays were used to test total RNA from 11 patient samples; results for 10 samples (91%) agreed with the gold standard of RT-qPCR. To reduce cost, the assay was demonstrated with multiplexed detection of HPV16 and HPV18 DNA, validated with a reaction volume that was reduced from 50 to 5 µL with DNA and RNA, and performed using a low-cost, portable reader with DNA and RNA. With incorporation of point-of-care-friendly sample preparation and detection of additional genotypes, this test has the potential to expand global access to HPV testing.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143370198","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

Single compound data supplementation to enhance transferability of fermentation specific Raman spectroscopy models.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-06 DOI: 10.1007/s00216-025-05768-5

Maarten Klaverdijk, Marcel Ottens, Marieke E Klijn

{"title":"Single compound data supplementation to enhance transferability of fermentation specific Raman spectroscopy models.","authors":"Maarten Klaverdijk, Marcel Ottens, Marieke E Klijn","doi":"10.1007/s00216-025-05768-5","DOIUrl":"https://doi.org/10.1007/s00216-025-05768-5","url":null,"abstract":"Raman spectroscopy is a valuable analytical tool for real-time analyte quantification in fermentation processes. Quantification is performed with chemometric models that translate Raman spectra into concentration values, which are typically calibrated with process data from multiple comparable fermentations. However, process-specific models underperform for minor process variation(s) or different operation modes due to the integration of cross-correlations, resulting in low target analyte specificity. Thus, model transferability is poor and labor-intensive (re-)calibration of models is required for related processes. In this work, partial least-squares models for glucose, ethanol, and biomass were calibrated with Saccharomyces cerevisiae batch fermentation data and subsequently transferred to a fed-batch operation. To enhance model transferability without additional process runs, single compound data supplementation was performed. The supplemented models increased overall target analyte specificity and demonstrated sufficient prediction accuracy for the fed-batch process (root-mean-square errors of prediction (RMSEP) of 3.06 mM, 8.65 mM, and 0.99 g/L for glucose, ethanol, and biomass), while maintaining high prediction accuracy for the batch process (RMSEP of 1.71 mM, 4.20 mM, and 0.17 g/L for glucose, ethanol, and biomass). This work showcases that process data in combination with single compound spectra is a fast and efficient strategy to apply Raman spectroscopy for real-time process monitoring across related processes.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143254046","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

Pre-analytic assessment of dried blood and dried plasma spots: integration in mass spectrometry-based metabolomics and lipidomics workflow.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-05 DOI: 10.1007/s00216-025-05760-z

Eleonora Bossi, Simone Serrao, Pierluigi Reveglia, Antonietta Ferrara, Marta Nobile, Elena Limo, Gaetano Corso, Giuseppe Paglia

{"title":"Pre-analytic assessment of dried blood and dried plasma spots: integration in mass spectrometry-based metabolomics and lipidomics workflow.","authors":"Eleonora Bossi, Simone Serrao, Pierluigi Reveglia, Antonietta Ferrara, Marta Nobile, Elena Limo, Gaetano Corso, Giuseppe Paglia","doi":"10.1007/s00216-025-05760-z","DOIUrl":"https://doi.org/10.1007/s00216-025-05760-z","url":null,"abstract":"Microsampling, especially dried blood spots (DBS), emerged in recent years as a viable alternative to conventional blood collection since it is rapid, simple, minimally invasive, and has user-friendly characteristics. Moreover, DBS are able to avoid analyte degradation thanks to their great stability. Due to their versatility, clinical applications with DBS have increased, including mass spectrometry-based metabolomics and lipidomics studies. In this work, we evaluated and optimized extraction protocols testing five different extraction solutions to perform metabolomics and lipidomics studies on the same spot considering three commercially available microsampling devices, Capitainer, Whatman, and Telimmune. Parallelly, we also evaluated the short-term stability of the three devices at room temperature for up to 5 days. Our results showed that pure methanol was the best compromise to simultaneously extract from the same spot both the lipidome and polar metabolome. However, we also propose a two-step protocol combining methanol and water extraction that improves polar metabolite extraction and shows improved reproducibility in Capitainer and Whatman. Short-term stability results highlighted that both polar metabolites and lipids were stable for up to 6 days using the Capitainer device, while with Whatman and Telimmune, some significant variations were observed after 3 days for some classes of metabolites/lipids, suggesting the need for cold-chain storage when working with these devices.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143187882","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

International co-validation of glycated hemoglobin A1c certified reference materials.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-04 DOI: 10.1007/s00216-025-05754-x

Chengxiang Ning, Ji-Seon Jeong, Tomoya Kinumi, Kazumi Saikusa, Megumi Kato, Youxun Jin, Bin Yang, Jing Wang, Liqing Wu

{"title":"International co-validation of glycated hemoglobin A1c certified reference materials.","authors":"Chengxiang Ning, Ji-Seon Jeong, Tomoya Kinumi, Kazumi Saikusa, Megumi Kato, Youxun Jin, Bin Yang, Jing Wang, Liqing Wu","doi":"10.1007/s00216-025-05754-x","DOIUrl":"https://doi.org/10.1007/s00216-025-05754-x","url":null,"abstract":"Accurate quantification of glycated hemoglobin A1c (HbA1c) is essential for the diagnosis and glycemic control in diabetic patients. The validation of HbA1c certified reference material (CRM) enhances the accuracy and comparability of HbA1c measurements. An international co-validation of HbA1c CRMs was conducted among the National Institute of Metrology, P.R. China (NIM), the Korea Research Institute of Standards and Science (KRISS), and the National Metrology Institute of Japan (NMIJ). Candidate reference materials (RMs) of VHLTPE, glycated VHLTPE, and two levels of HbA1c were developed and supplied by NIM. NIM investigated the homogeneity and stability of these materials, finding no inhomogeneity and confirming stability throughout the co-validation period. Isotope dilution mass spectrometry was employed for the quantitation of both hexapeptides in solution and HbA1c in a matrix. All three national metrology institutes (NMIs) were involved in the quantification of hexapeptides in solution, whereas only NIM and KRISS were involved in the quantification of HbA1c in the matrix. En values for both hexapeptides and HbA1c in the matrix were calculated, all being less than 1, indicating good agreement with the certified values. The successful co-validation of these CRMs demonstrates the reliability of the certified values, thereby benefiting the accuracy and comparability of HbA1c measurements.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143187880","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

Commutability study on three CRMs evaluating their suitability for calibration, trueness verification and statistical quality control of methods measuring metal concentrations in human blood.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-04 DOI: 10.1007/s00216-025-05751-0

Thomas P J Linsinger, Guy Auclair, Liesbet Deprez

{"title":"Commutability study on three CRMs evaluating their suitability for calibration, trueness verification and statistical quality control of methods measuring metal concentrations in human blood.","authors":"Thomas P J Linsinger, Guy Auclair, Liesbet Deprez","doi":"10.1007/s00216-025-05751-0","DOIUrl":"https://doi.org/10.1007/s00216-025-05751-0","url":null,"abstract":"The commutability of three certified reference materials for Cd, Cr, Hg, Ni, Pb and Tl in blood was evaluated for the combination of digestion ICP-MS with dilution ICP-MS or dilution GFAAS using the difference in bias approach. Maximum non-commutability bias (MANCB) was derived from the median of the tolerance limits set by six proficiency testing (PT) providers. The evaluation showed that this criteria are too strict and that either unfeasible high number of measurements or a larger MANCB is required to demonstrate commutability. The effect of increasing the MANCB on the maximum tolerable measurement uncertainty was found small to moderate demonstrating the commutability of the materials when used as a calibrator. Also the inclusion of the uncertainty of non-commutability into the measurement uncertainty resulted in only small increases of the measurement uncertainty, demonstrating the suitability of the materials for trueness control and method validation. The bias of the three CRMs was for most elements within the 99% confidence limits of the bias of the patient samples, demonstrating the suitability of the materials for statistical quality control.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143187879","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

Requirements for fast multianalyte detection and characterisation via electrochemical-assisted SERS in a reusable and easily manufactured flow cell.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-03 DOI: 10.1007/s00216-025-05763-w

Maximilian E Blaha, Anish Das, Detlev Belder

{"title":"Requirements for fast multianalyte detection and characterisation via electrochemical-assisted SERS in a reusable and easily manufactured flow cell.","authors":"Maximilian E Blaha, Anish Das, Detlev Belder","doi":"10.1007/s00216-025-05763-w","DOIUrl":"https://doi.org/10.1007/s00216-025-05763-w","url":null,"abstract":"Surface-enhanced Raman spectroscopy (SERS) is a highly sensitive analytical technique that captures vibrational spectra of analytes adsorbed to rough coin metal surfaces with remarkable signal intensities. However, its wider application is limited by challenges in substrate range, quantification, and the disposable nature of SERS substrates partly due to irreversible analyte adsorption-commonly referred to as the 'memory effect'. Overcoming these limitations and achieving real-time analysis in flow-through systems remains a key challenge for the advancement of SERS. This study presents a SERS flow cell incorporating an Ag-based SERS substrate and a Pt counter-electrode, enabling the investigation of how electrochemical methods can address existing challenges. Our approach demonstrates that signal intensities can be both enhanced and spectroelectrochemically modified. Additionally, the combination of constant solvent flow and electrochemical potentials enhances the longevity of the SERS substrate, facilitating multianalyte measurements while mitigating the memory effect. Key parameters have been systematically studied, including SERS substrate materials (silver and copper), solvents, buffers, supporting electrolytes, and electrochemical protocols. We achieved consistent and reproducible electrochemical tuning of SERS signals by using halogen-free electrolytes in polar solvents commonly used in techniques like HPLC. The versatility of the system was validated through the analysis of several model compounds and the sequential detection of multiple analytes. We also successfully applied the system to detect and characterise contaminants and pharmaceuticals, highlighting its potential for a wide range of analytical applications.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143078282","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 of putative volatile biomarkers of canine leishmaniasis in dog's breath and hair employing a novel algorithm for automated chromatographic peak detection and matching. 利用一种新的自动色谱峰检测和匹配算法鉴定犬呼出和毛发中可能的利什曼病挥发性生物标志物。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-01 Epub Date: 2024-12-26 DOI: 10.1007/s00216-024-05691-1

Raluca Suschinel, Aylen Lisset Jaimes-Mogollón, Siong Fong Sim, Woei Ting, Juan Martín Cáceres-Tarazona, Eliana Alvarez-Valdez, Milton Rosero-Moreano, Mohamed Fethi Diouani, Emira Chouihi, Mihai Brebu, Violeta Simion, Jose Angel Barasona, Radu Ionescu

{"title":"Identification of putative volatile biomarkers of canine leishmaniasis in dog's breath and hair employing a novel algorithm for automated chromatographic peak detection and matching.","authors":"Raluca Suschinel, Aylen Lisset Jaimes-Mogollón, Siong Fong Sim, Woei Ting, Juan Martín Cáceres-Tarazona, Eliana Alvarez-Valdez, Milton Rosero-Moreano, Mohamed Fethi Diouani, Emira Chouihi, Mihai Brebu, Violeta Simion, Jose Angel Barasona, Radu Ionescu","doi":"10.1007/s00216-024-05691-1","DOIUrl":"10.1007/s00216-024-05691-1","url":null,"abstract":"The analysis of the volatile compounds released by biological samples represents a promising approach for the non-invasive diagnosis of a disease. The present study, focused on a population of dogs infected with canine leishmaniasis, aimed to decipher the volatolomic profile associated with this disease in dogs, which represent the main animal reservoir for Leishmania pathogen transmission to humans. The volatiles emitted by the breath and hair of dogs were analysed employing the gas chromatography-mass spectrometry (GC-MS) technique. The acquired chromatograms were investigated using a novel algorithm developed in this study for automated chromatographic peak detection and matching in untargeted GC-MS analysis, which includes various steps that comprise noise reduction, m/z filtering, background subtraction, peak detection, peak matching, and generation of a peak table for compounds identification. The results revealed one tentative breath volatile biomarker and five tentative hair volatile biomarkers for the cutaneous form of the disease, which is characterised by skin ulcerations. Additionally, nine tentative breath volatile biomarkers and four tentative hair volatile biomarkers were found for the visceral form of the disease, which affects internal organs such as spleen, liver and bone marrow. All tentative biomarkers identified in this study were upregulated in cutaneous leishmaniasis, while in visceral leishmaniasis, all tentative biomarkers were upregulated in the breath and only one out of four in the hair. Only one compound (glyceryl monooleate) was identified as tentative volatile biomarker for both forms of the disease, in the hair of dogs.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"771-783"},"PeriodicalIF":3.8,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891296","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

Green analytical chemistry: integrating sustainability into undergraduate education. 绿色分析化学：将可持续发展融入本科教育。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-02-01 Epub Date: 2024-12-06 DOI: 10.1007/s00216-024-05680-4

Saša M Miladinović

引用次数: 0