Analytical and Bioanalytical Chemistry最新文献

{"title":"Comparison of different characterization approaches for monoelemental calibration solutions at two national metrology institutes.","authors":"Murat Tunç, Cristhian Paredes, F Gonca Coşkun, Juliana Serna, Merve Caner","doi":"10.1007/s00216-025-05731-4","DOIUrl":"https://doi.org/10.1007/s00216-025-05731-4","url":null,"abstract":"<p><p>Monoelemental calibration solutions are the most common reference in elemental analysis, linking measurement results to the International System of Units (SI). National Metrology Institutes (NMI) prepare these solutions as certified reference materials (CRM) and determine their elemental mass fraction with high accuracy. Characterization with high accuracy is one of the most critical steps in CRM production. This report compares the approaches taken by the NMIs of Türkiye (TÜBİTAK-UME) and Colombia (INM(CO)) in preparing and characterizing cadmium calibration solutions with a nominal value of 1 g kg^-1. Each NMI produced CRMs using an independent batch of cadmium calibration solution and assigned mass fraction values to both their own solutions and those of the other NMIs. TÜBİTAK-UME employed a primary difference method (PDM) to assess the purity of a cadmium metal standard, quantifying all possible impurities using a combination of instrumental analytical techniques. The defined purity standard was used for both the gravimetric preparation of the CRM and the calibration of high-performance inductively coupled plasma optical emission spectrometry (ICP-OES) measurements. On the other hand, INM(CO) used gravimetric titration with EDTA to assay cadmium in the CRM solutions. The EDTA salt was previously characterized by titrimetry. Despite the fundamentally different measurement methods and independent metrological traceability paths to the SI, the measurement results exhibited excellent agreement within the stated uncertainties. This comparative analysis demonstrates the effectiveness of varied characterization approaches and underscores the reliability of the cadmium calibration solutions prepared by TÜBİTAK-UME and INM(CO). This collaborative effort highlights the reliability and adaptability of various measurement techniques in fulfilling rigorous metrological standards for elemental calibration solutions. Furthermore, this approach enhances the robustness of the measurements in the field of elemental analysis and contributes traceability to the SI.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142998155","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}

{"title":"Study of the interaction between alkaline phosphatase and biomacromolecule substrates.","authors":"Yanan Li, Rong Chen, Yidi Wang, Xin Guo, Xiaojing Lin, Li Tong, Dong Yang, Yanxia Yin, Jing Luo","doi":"10.1007/s00216-025-05740-3","DOIUrl":"https://doi.org/10.1007/s00216-025-05740-3","url":null,"abstract":"<p><p>Alkaline phosphatase (ALP) is a nonspecific phosphatase, and its interaction with substrates mainly depends on the recognition of phosphate groups on the substrate. Previous enzymatic research has focused mainly on the enzymatic reaction kinetics of the inorganic small molecule p-nitrophenol phosphate (pNPP) as a substrate, but its interaction with biomacromolecule substrates has not been reported. In current scientific research, ALP is often used for molecular cloning, such as removing the 5' termini of nucleic acids. However, no detailed reports on the interactions between ALP and these biomolecules have been published. We used microscale thermophoresis (MST) and isothermal titration calorimetry (ITC) experiments to investigate the affinity of mutant ALP (S102L) from Escherichia coli for biomacromolecule substrates, including double-stranded DNA (dsDNA) and phosphoproteins. We found that S102L ALP has a strong affinity for dsDNA and β-casein. For the first time, the affinity of ALP for the substrate phosphate monoester has been proven to be significantly affected by the nature of its R group (ROP). In summary, we have explained the key factors involved in the interaction between ALP and biomacromolecule substrates from the perspective of affinity, which provides guidance in better understanding ALP.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142998160","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}

{"title":"A new database to guide reference material selection for dietary supplement and nutrition science.","authors":"Adam J Kuszak, Sanem Hosbas Coskun, Stephen A Wise","doi":"10.1007/s00216-024-05664-4","DOIUrl":"https://doi.org/10.1007/s00216-024-05664-4","url":null,"abstract":"<p><p>Rigorous research on the health effects of dietary supplements and related nutritional interventions requires thorough chemical characterization of complex matrices for their composition of macro- and micronutrients, botanical phytochemicals, and potential contaminants. Reference materials (RMs) with metrologically traceable values for these specific properties are ideal analytical tools to ensure requisite chemical measurements are reliable. However, identifying and comparing appropriate RMs for studying dietary ingredients and their metabolites is challenging, creating a barrier to reproducible regulatory testing and research. To address this challenge, the Office of Dietary Supplements at the National Institutes of Health coordinated the development of a new publicly available Reference Materials Search Tool ( https://odsrmst.od.nih.gov/ ) database featuring comprehensive data records and search and comparison functionality. The RMST significantly expands research capacities to discover and select fit for purpose reference materials for dietary supplement and related food and natural product chemical analysis.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142982307","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}

{"title":"Correction to: SERS characterization of aggregated and isolated bacteria deposited on silver-based substrates.","authors":"Cristina-Cassiana Andrei, Anne Moraillon, Eric Larquet, Monica Potara, Simion Astilean, Endre Jakab, Julie Bouckaert, Léa Rosselle, Nadia Skandrani, Rabah Boukherroub, François Ozanam, Sabine Szunerits, Anne Chantal Gouget-Laemmel","doi":"10.1007/s00216-024-05717-8","DOIUrl":"https://doi.org/10.1007/s00216-024-05717-8","url":null,"abstract":"","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142963372","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}

{"title":"Commutability assessment of new standard reference materials (SRMs) for determining serum total 25-hydroxyvitamin D using ligand binding and liquid chromatography-tandem mass spectrometry (LC-MS/MS) assays.","authors":"Stephen A Wise, Étienne Cavalier, Pierre Lukas, Stéphanie Peeters, Caroline Le Goff, Laura E Briggs, Emma L Williams, Ekaterina Mineva, Christine M Pfeiffer, Hubert Vesper, Christian Popp, Christian Beckert, Jan Schultess, Kevin Wang, Carole Tourneur, Camille Pease, Dominik Osterritter, Ralf Fischer, Ben Saida, Chao Dou, Satoshi Kojima, Hope A Weiler, Agnieszka Bielecki, Heather Pham, Alexandra Bennett, Shawn You, Amit K Ghoshal, Bin Wei, Christian Vogl, James Freeman, Neil Parker, Samantha Pagliaro, Jennifer Cheek, Jie Li, Hisao Tsukamoto, Karen Galvin, Kevin D Cashman, Hsuan-Chieh Liao, Andrew N Hoofnagle, Jeffery R Budd, Adam J Kuszak, Ashley S P Boggs, Carolyn Q Burdette, Grace Hahm, Federica Nalin, Johanna E Camara","doi":"10.1007/s00216-024-05699-7","DOIUrl":"https://doi.org/10.1007/s00216-024-05699-7","url":null,"abstract":"&lt;p&gt;&lt;p&gt;Commutability is where the measurement response for a reference material (RM) is the same as for an individual patient sample with the same concentration of analyte measured using two or more measurement systems. Assessment of commutability is essential when the RM is used in a calibration hierarchy or to ensure that clinical measurements are comparable across different measurement procedures and at different times. The commutability of three new Standard Reference Materials&lt;sup&gt;®&lt;/sup&gt; (SRMs) for determining serum total 25-hydroxyvitamin D [25(OH)D], defined as the sum of 25-hydroxyvitamin D&lt;sub&gt;2&lt;/sub&gt; [25(OH)D&lt;sub&gt;2&lt;/sub&gt;] and 25-hydroxyvitamin D&lt;sub&gt;3&lt;/sub&gt; [25(OH)D&lt;sub&gt;3&lt;/sub&gt;], was assessed through an interlaboratory study. The following SRMs were assessed: (1) SRM 2969 Vitamin D Metabolites in Frozen Human Serum (Total 25-Hydroxyvitamin D Low Level), (2) SRM 2970 Vitamin D Metabolites in Frozen Human Serum (25-Hydroxyvitamin D&lt;sub&gt;2&lt;/sub&gt; High Level), and (3) SRM 1949 Frozen Human Prenatal Serum. These SRMs represent three clinically relevant situations including (1) low levels of total 25(OH)D, (2) high level of 25(OH)D&lt;sub&gt;2&lt;/sub&gt;, and (3) 25(OH)D levels in nonpregnant women and women during each of the three trimesters of pregnancy with changing concentrations of vitamin D-binding protein (VDBP). Twelve laboratories using 17 different ligand binding assays and eight laboratories using nine commercial and custom liquid chromatography-tandem mass spectrometry (LC-MS/MS) assays provided results in this study. Commutability of the SRMs with patient samples was assessed using the Clinical and Laboratory Standards Institute (CLSI) approach based on 95% prediction intervals or a pre-set commutability criterion and the recently introduced International Federation of Clinical Chemistry and Laboratory Medicine (IFCC) approach based on differences in bias for the clinical and reference material samples using a commutability criterion of 8.8%. All three SRMs were deemed as commutable with all LC-MS/MS assays using both CLSI and IFCC approaches. SRM 2969 and SRM 2970 were deemed noncommutable for three and seven different ligand binding assays, respectively, when using the IFCC approach. Except for two assays, one or more of the three pregnancy levels of SRM 1949 were deemed noncommutable or inconclusive using different ligand binding assays and the commutability criterion of 8.8%. Overall, a noncommutable assessment for ligand binding assays is determined for these SRMs primarily due to a lack of assay selectivity related to 25(OH)D&lt;sub&gt;2&lt;/sub&gt; or an increasing VDBP in pregnancy trimester materials rather than the quality of the SRMs. With results from 17 different ligand binding and nine LC-MS/MS assays, this study provides valuable knowledge for clinical laboratories to inform SRM selection when assessing 25(OH)D status in patient populations, particularly in subpopulations with low levels of 25(OH)D, high levels of 25(OH)D&lt;sub&gt;2&lt;/sub&gt;, wom","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942274","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}

{"title":"Preparation of ofloxacin molecularly imprinted polymer Raman sensor based on magnetic graphene oxide.","authors":"Minyi Hui, Xi Ma, Jiayu Yuan, Zhouping Wang, Xiaoyuan Ma","doi":"10.1007/s00216-024-05714-x","DOIUrl":"https://doi.org/10.1007/s00216-024-05714-x","url":null,"abstract":"<p><p>Ofloxacin is a commonly used quinolone antibiotic that is also used as a feed supplement in livestock production and in plant disease prevention and treatment. However, the excessive use and abuse of ofloxacin will accumulate along the food chain and endanger human health. Therefore, the development of a simple, rapid, and sensitive detection method for the determination of ofloxacin is critical. Herein, a detection method combining molecularly imprinted magnetic solid-phase extraction (MISPE) and surface-enhanced Raman spectroscopy (SERS) was developed for the detection of ofloxacin. Graphene oxide supported by magnetic beads was synthesized by a one-pot method, producing what was subsequently referred to as magnetic graphene oxide (MGO), and a molecularly imprinted membrane was synthesized on its surface by exploiting the ability of dopamine to self-polymerize under alkaline conditions. MGO@MIPs were obtained as the adsorbent for magnetic solid-phase extraction, which was used for the extraction and enrichment of ofloxacin in complex sample matrix, and then quantitative analysis was conducted by SERS. The developed method exhibited an excellent linear relationship with respect to ofloxacin concentration (10^-5 to 10² μg mL^-1), with a detection limit of 9.7 × 10^-6 μg mL^-1 in ultrapure water. Blank honey, milk, and pork samples spiked with ofloxacin at concentrations of 0.005, 0.1, 1, and 10 μg mL^-1 were extracted and determined using the developed method, with recoveries ranging from 93.1% to 105.6%. The results support the strong application prospects for the method, demonstrating simple and time-efficient operation and high accuracy.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142963400","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}

{"title":"Evaluation of four different standard addition approaches with respect to trueness and precision.","authors":"Gerhard Gössler, Vera Hofer, Walter Goessler","doi":"10.1007/s00216-024-05725-8","DOIUrl":"https://doi.org/10.1007/s00216-024-05725-8","url":null,"abstract":"<p><p>This work provides a statistical analysis of four different approaches suggested in the literature for the estimation of an unknown concentration based on data collected using the standard addition method. These approaches are the conventional extrapolation approach, the interpolation approach, inverse regression, and the normalization approach. These methods are compared under the assumption that the measurement errors are normally distributed and homoscedastic. Comparison is done with respect to the two most important characteristics of every estimator, namely trueness (bias) and precision (variability). In addition, the authors supply, if not already available, mathematical formulas to approximate both quantities. Also, a real-world data set is used to illustrate the performance of all four methods. It turns out, that, given that all assumptions underlying the use of the standard addition method apply, the common extrapolation method is still the most recommendable method with respect to bias and variability. Nonetheless, if additional concerns come into play, other methods like, for example, the normalization approach in the case of increased problems with outliers might also be of interest for the practitioner.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942336","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}

{"title":"Exploratory multivariate analysis using R Language for method development in liquid chromatography.","authors":"Miloš Hroch","doi":"10.1007/s00216-024-05705-y","DOIUrl":"https://doi.org/10.1007/s00216-024-05705-y","url":null,"abstract":"<p><p>The visual evaluation of data derived from screening and optimization experiments in the development of new analytical methods poses a considerable time investment and introduces the risk of subjectivity. This study presents a novel approach to processing such data, based on factor analysis of mixed data and hierarchical clustering - multivariate techniques implemented in the R programming language. The methodology is demonstrated in the early-stage screening and optimization of the chromatographic separation of 15 structurally diverse drugs that affect the central nervous system, using a custom R Language script. The presented explorative approach enabled the identification of key parameters affecting the separation and significantly reduced the time required to evaluate the comprehensive dataset from the screening experiments. Based on the data analysis results, the optimal combination of stationary phase and mobile phase composition was selected, considering retention, overall resolution, and peak shape of compounds. Additionally, compounds vulnerable to changes in selected chromatographic conditions were identified. As a complement to the presented R Language script, a web-based application ChromaFAMDeX has been developed to offer an intuitive interface that enhances the accessibility of the used statistical methods. Accompanying the publication, the R script and the link to the standalone application are provided, enabling replication and adaptation of the methodology.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942339","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}

{"title":"A molecularly imprinted ratio fluorescence sensor based on metal-enhanced fluorescence of core-shell structure CaF₂-silver nanoparticle for visual detection of dicamba.","authors":"Jing Xu, Jiechun Wu, Songlian Li, Zhihong Yan, Qing Zhou, Kang Li","doi":"10.1007/s00216-024-05715-w","DOIUrl":"https://doi.org/10.1007/s00216-024-05715-w","url":null,"abstract":"<p><p>Although fluorescence analysis methods are widely used in pesticide residue detection, improving their sensitivity and selectivity remains a challenge. This paper presents a novel ratio fluorescence sensor based on the molecular imprinting polymers (MIPs) and metal-enhanced fluorescence for visual detection of dicamba (DIC). Calcium fluoride (CaF₂) quantum dots (QDs) were immobilized on the surface of Ag@MIPs, resulting in a blue fluorescence response signal (Ag@MIPs-CaF₂). The MIPs shell, which possesses a specific recognition capability, serves as an isolation layer to adjust the distance between Ag nanoparticles and CaF₂ QDs for enhancing the fluorescence of CaF₂ QDs by up to 7.1 times under optimal conditions. In the presence of DIC, the blue fluorescence was selectively quenched, while the reference signal red fluorescence from cadmium telluride QDs coated with silicon dioxide (CdTe@SiO₂) remained relatively stable, resulting in a color change from blue to red. The sensor had a detection limit of 0.16 μM for DIC in the range of 1.0 to 50.0 μM, recovery rates of 85.4 to 103.5% for actual samples, and an imprinting factor of 3.28. The 3D finite-difference time-domain simulation revealed that the fluorescence enhancement was due to the local electric field amplification. Therefore, the developed sensing system in this work offers a broad application prospect for visual detection of DIC in food samples.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942272","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}

{"title":"A fast region of interest algorithm for efficient data compression and improved peak detection in high-resolution mass spectrometry.","authors":"Oskar Munk Kronik, Jan H Christensen, Nikoline Juul Nielsen, Selina Tisler, Giorgio Tomasi","doi":"10.1007/s00216-024-05718-7","DOIUrl":"https://doi.org/10.1007/s00216-024-05718-7","url":null,"abstract":"<p><p>Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is commonly used for identification of compounds in complex samples due to the high chromatographic and mass spectral resolution provided. In subsequent data processing workflows, it is imperative to preserve this resolution to fully exploit the data. \"Region of interest\" (ROI) algorithms were introduced as a better alternative to equidistant binning for compressing HRMS data because they better preserve the mass spectral resolution. In this paper, we present a new ROI algorithm that improves on the selection of contiguous m/z traces, amongst others by introducing the concept of chromatographic filter, allows for an automated approach to optimise the admissible mass-to-charge deviation (δ_m/z) and can be used to match ROIs across multiple samples. The algorithm was tested on a LC-HRMS dataset comprised of 21 replicate injections of a wastewater effluent extract and assessed on its ability to correctly retrieve the ROI's relative to 57 compounds and match them across all injections. In summary, it achieved a ten-fold compression rate in on-disk storage at a noise threshold of 200 counts, and the median ROI length matched the observed chromatographic peak width (12-23 points). Correct ROI matching with a mass accuracy of 9 ppm was observed for 52 compounds across all 21 injections with only one compound split between two adjacent m/z traces in six runs. Overall, the new algorithm performed favourably compared to the ROI algorithm currently used in the well-established ROI-MCR (multivariate curve resolution) workflow for deconvolution of HRMS chromatographic data.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942270","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}