Analytical and Bioanalytical Chemistry最新文献

{"title":"Assessing food by-products macrocomposition by FTIR microspectroscopy.","authors":"Paula Varas Perez, Alexis Fagot, Martijn Heleven, Karen Smeets, Pieter Samyn, Peter Adriaensens, Wouter Marchal, Dries Vandamme","doi":"10.1007/s00216-025-05984-z","DOIUrl":"10.1007/s00216-025-05984-z","url":null,"abstract":"<p><p>Food by-products offer a promising opportunity for extracting valuable compounds that can be used in the food, pharmaceutical, and polymer industries. However, unpredictable variations in the chemical composition and spatial distribution of the various components within these biological matrices create challenges for new valorization processes. These inconsistencies can lead to variable recovery efficiency and differing quality of extracts. Understanding the chemical composition and spatial distribution of these components is essential, as it will facilitate the effective valorization of these by-products in future applications. Fourier transform infrared (FTIR) microspectroscopy was employed to evaluate the chemical composition and structural organization of industrial food by-products, specifically potato trimmings, carrot pomace, and brewer's spent grain. Frozen sectioning was employed as a sample preparation method. Hierarchical cluster analysis was applied to differentiate the spectral information from the background, allowing the determination of representative average spectra with good reproducibility across sample replicates. Derivative FTIR spectra further revealed previously hidden information by resolving overlapping signals, such as multiple bands in the 1750-1550 cm <math><mmultiscripts><mrow></mrow> <mrow></mrow> <mrow><mo>-</mo> <mrow><mn>1</mn></mrow> </mrow> </mmultiscripts> </math> region, facilitating the assignment of functional groups to compounds of interest such as proteins, lipids, or pectin and the creation of chemical images. However, some macroconstituents exhibited overlapping absorbance peaks, complicating the precise identification of individual components. Despite this limitation, FTIR microspectroscopy provided valuable semi-quantitative information on the composition of these by-products. The results demonstrated that chemical imaging by FTIR microspectroscopy is a valuable tool for food by-product evaluation, providing insight into their composition and supporting the potential for their valorization in industrial applications.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537644","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":"Strychnos peckii B.L. Rob.: secondary metabolite annotation by liquid chromatography tandem high-resolution mass spectrometry with insights from biogenesis.","authors":"Fernando Cassas, Carla L G Santos, Felipe M A da Silva, Quezia B Cass","doi":"10.1007/s00216-025-05967-0","DOIUrl":"https://doi.org/10.1007/s00216-025-05967-0","url":null,"abstract":"<p><p>Alkaloids from the Strychnos genus exhibit remarkable chemical diversity and are considered promising candidates for drug development. However, many endemic species remain unexplored. In this study, we report the use of a scouting liquid chromatographic system for method development and a liquid chromatography system hyphenated to high-resolution mass spectrometry (LC-HRMS) to efficiently profile and annotate the specialized metabolites of Strychnos peckii B.L. Rob. A structural database was employed to curate the data through MS² fragmentation experiments and the propagation of the molecular network using in silico tools. Manual data curation, based on biosynthetic pathways, comparisons with public data, and the creation of an in-house database, led to the annotation of 46 metabolites. The annotated metabolites were classified into alkaloids (33), benzoic acids (6), and flavonoids (5). Based on fragmentation patterns and their biogenesis, the alkaloids were further categorized into β-carbonyl compounds (1-5), monoterpene-indole alkaloid aglycones (6-11), monoterpene-indole alkaloids (12-20), monoterpene-indole alkaloid lactones (21-25), quinolinic compounds (26), and tryptophan-derived alkaloids (27-30), among others. The annotated alkaloids are well-known for their pharmacological properties. Overall, this study enhances the chemical understanding of Strychnos peckii.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537645","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":"Development, validation, and assessment of a reliable and white method for the analysis of water-based perfumes by pipette-tip micro-solid-phase extraction combined with dual detection gas chromatography.","authors":"Gaia Bechis, Giulia Quaranta, Carlo Bicchi, Arianna Marengo, Barbara Sgorbini, Patrizia Rubiolo, Cecilia Cagliero","doi":"10.1007/s00216-025-05889-x","DOIUrl":"10.1007/s00216-025-05889-x","url":null,"abstract":"<p><p>The analysis of possible allergens, impurities, and contaminants in perfumes and the determination of their volatile fingerprints are of high importance in determining their quality. At the same time, the analysis of perfumes with a significant water content can require complex procedures or large amounts of material. These new products are becoming increasingly popular as they reduce skin dryness and irritation, but they require the addition of additives to improve the solubility of all fragrance components. Direct injection into gas chromatography can lead to interferences and requires more frequent maintenance of the chromatographic system, while traditional extraction methods need several steps, a large volume of sample and material, and the use of toxic solvents. In this study, pipette-tip micro-solid-phase extraction (PT-µSPE) was used and optimized as an innovative, simple, sustainable, and time-saving approach. It requires only 10 mg Celite and 10 mg sample while elution is carried out with 100 mg heptane/ethyl acetate (70/30, p/p). The extraction is coupled with GC analysis with simultaneous FID and MS detection (GC-MS/FID), which is used for qualitative, semi-quantitative, and quantitative purposes. The performance of the PT-µSPE method was validated and successfully applied to commercial samples. In addition, the performance of the developed method and of the reference approaches was evaluated, focusing mainly on the overall impact of analysis in accordance with the principles of White Analytical Chemistry. The results show that the PT-µSPE method is more balanced than the conventional methods in terms of analytical performance, greenness, and practical efficiency, making it a valuable alternative for routine use in the fragrance industry.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"3579-3596"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12206168/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143952050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mid-IR laser measurement of acetaldehyde in the headspace gas of cell culture media samples from growth of breast cancer cells in hydrogel scaffolds.","authors":"Parker Bryant, Patrick McCann, Khosrow Namjou, Vassilios Sikavitsas, Roger Harrison","doi":"10.1007/s00216-025-05899-9","DOIUrl":"10.1007/s00216-025-05899-9","url":null,"abstract":"<p><p>A mid-IR laser absorption spectrometer configured with an interband cascade laser (ICL) was used to measure acetaldehyde concentrations in the headspace gas of cell culture media samples obtained from the culturing of breast cancer cells in a flow perfusion bioreactor. Measurements were performed by bubbling lab air through a media sample and passing the exhaust gas through a long optical path gas cell where rotational-vibrational modes of acetaldehyde were excited by the ICL. Acetaldehyde concentrations were determined from peak-to-peak voltages for the two strongest acetaldehyde absorption features within a spectral region spanning 1770.20 cm^-1 to 1770.35 cm^-1. Three different media samples obtained from cells cultured with the same nominal conditions had headspace acetaldehyde concentrations of 412 ppb, 513 ppb, and 390 ppb, while two media samples with imposed hypoxia or cobalt chloride stabilization of hypoxia inducible factor 1-alpha (HIF-1α) had higher acetaldehyde concentrations, 815 ppb and 536 ppb, respectively. These results establish experimental proof-of-concept for the ability of mid-IR laser absorption spectroscopy to measure acetaldehyde in cell culture media headspace, allowing observation of HIF-1α driven shifts in cancer cell metabolism.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"3715-3730"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143958400","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":"Comprehensive and high-coverage glycerophospholipidomic analysis based on iterative quadrupole time-of-flight mass spectrometry and its application in cerebral ischemia-reperfusion injury.","authors":"Biqiong Qu, Menghan Feng, Lirong Liu, Shiyu Cong, Shengnan Cai, Tengteng Wang, Yun Qiao, Lixia Shi, Jie Liu, Hongbin Xiao","doi":"10.1007/s00216-025-05884-2","DOIUrl":"10.1007/s00216-025-05884-2","url":null,"abstract":"<p><p>Glycerophospholipids play important roles in iron-induced lipid peroxidation during cerebral ischemia-reperfusion, making it essential to investigate changes in their varieties and concentrations under these conditions. However, the wide range of glycerophospholipid contents, particularly the low-abundance species in actual biological samples, posed a challenge for comprehensive analysis. In this study, an iterative quadrupole time-of-flight mass spectrometry (Q-ToF-MS/MS) method was established with the aim of comprehensively detecting glycerophospholipids. This method was a data acquisition strategy implemented through iterative analyses. In each iteration, ions detected in previous runs were excluded, allowing low-abundance glycerophospholipids that were missed by the usual analysis to be extensively detected by a simplified operational process. Using this strategy, 254 glycerophospholipids including 157 PCs, 67 PEs, 19 PGs, 9 PIs, 7 PSs and 5 PAs in rat brain samples were identified after four iterations, and the number of glycerophospholipid species increased by 93.9% compared to a single assay, significantly enhancing the coverage of glycerophospholipid detection. Furthermore, the characteristic fragmentation patterns of six glycerophospholipid subclasses were systematically summarized to improve the accuracy of qualitative identification. In addition, these patterns were also used to construct an ion pair database containing 254 glycerophospholipids, enabling targeted multiple reaction monitoring (MRM) analysis under the optimized high-performance liquid chromatography-tandem triple quadrupole mass spectrometry (HPLC-QQQ-MS/MS) conditions. By comparing the changed glycerophospholipids of rat brains from the normal and cerebral ischemia-reperfusion injury groups, 29 glycerophospholipids were recognized as the potential biomarkers for cerebral ischemia-reperfusion injury, among which nine glycerophospholipids were particularly detected by four iterations. Overall, this iterative MS/MS approach extensively expanded the coverage of low-abundance components, and has been proven to be an effective approach in biomarker screening of cerebral ischemia-reperfusion injury.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"3621-3632"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143960741","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":"Polyamines of unique structure are integrated in Synura echinulata biosilica.","authors":"Oliver Reinke, Susanne Machill, Eike Brunner","doi":"10.1007/s00216-025-05891-3","DOIUrl":"10.1007/s00216-025-05891-3","url":null,"abstract":"<p><p>Unicellar, biomineralizing algae like diatoms or Synurales are ubiquitous in various habitats all over the world and have an outstanding role in different biogeochemical cycles. They are well known for their elaborate nanopatterned cell structures consisting of amorphous biosilica, which is intracellularly synthesized. Special biomolecules assist in the silica formation. In particular, species-specific long-chain polyamines (LCPAs) are commonly found in diatom biosilica and seem to play a special role due to their ability to self-assemble and induce silica precipitation. In contrast to diatoms, no species from the order Synurales have been tested yet for the presence of LCPAs. Therefore, the present work deals with the analysis of Synura echinulata biosilica using a novel HPLC-HR-MS/MS method. The presence of unique LCPAs is shown, and their structure is elucidated via MS/MS experiments. LCPAs from S. echinulata are based on amino butyl repeat units-in contrast to previously described LCPAs from other organisms, which are mostly based on amino propyl repeat units. The ubiquitous presence of LCPAs in biomineralizing species strongly indicates a general role of LCPAs in silica biomineralization.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"3675-3684"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12206195/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143952312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction to: SI‑traceable characterisation of the first reference material for nanoparticle number concentration in suspension to support regulatory compliance.","authors":"Dorota Bartczak, Susana Cuello Nuñez, Ada Kubicka, David Ojeda, Armando Sanchez Cachero, Simon Cowen, Stephen Ellison, Gill Holcombe, Heidi Goenaga-Infante","doi":"10.1007/s00216-025-05972-3","DOIUrl":"10.1007/s00216-025-05972-3","url":null,"abstract":"","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"4281"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12276094/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144324088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Simple sample dilution challenge.","authors":"Lukas Flierl, Olaf Rienitz","doi":"10.1007/s00216-025-05896-y","DOIUrl":"10.1007/s00216-025-05896-y","url":null,"abstract":"","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":"417 16","pages":"3497-3498"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144525859","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":"Effects of defined organic layers on the fluorescence lifetime of plastic materials.","authors":"Nina Leiter, Maximilian Wohlschläger, Martin Versen, Sonja D Harter, Tina Kießlich, Franziska Lederer, Stefanie Clauß, Dietmar Schlosser, Emanuel Gheorghita Armanu, Christian Eberlein, Hermann J Heipieper, Martin G J Löder, Christian Laforsch","doi":"10.1007/s00216-025-05888-y","DOIUrl":"10.1007/s00216-025-05888-y","url":null,"abstract":"<p><p>Plastics have become an integral part of modern life, and linked to that fact, the demand for and global production of plastics are still increasing. However, the environmental pollution caused by plastics has reached unprecedented levels. The accumulation of small plastic fragments-microplastics and nanoplastics-potentially threatens organisms, ecosystems, and human health. Researchers commonly employ non-destructive analytical methods to assess the presence and characteristics of microplastic particles in environmental samples. However, these techniques require extensive sample preparation, which represents a significant limitation and hinders a direct on-site analysis. In this context, previous investigations showed the potential of fluorescence lifetime imaging microscopy (FLIM) for fast and reliable identification of microplastics in an environmental matrix. However, since microplastics receive an environmental coating after entering nature, a challenge arises from organic contamination on the surface of microplastic particles. How this influences the fluorescence signal and the possibility of microplastic detection are unknown. To address this research gap, we exposed acrylonitrile butadiene styrene (ABS) and polyethylene terephthalate (PET) plastic samples to peptides, proteins, bacteria, and a filamentous fungus to induce organic contamination and mimic environmental conditions. We analyzed the fluorescence spectra and lifetimes of the samples using fluorescence spectroscopy and frequency-domain fluorescence lifetime imaging microscopy (FD-FLIM), respectively. Our results demonstrate that reliably identifying and differentiating ABS and PET was possible via FD-FLIM, even in the presence of these biological contaminations. These findings highlight the potential of this technique as a valuable tool for environmental monitoring and plastic characterization, offering a rapid and efficient alternative to currently used analytical methods.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"3651-3663"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12206207/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143951824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Screening of ligands for carbonic anhydrase II from traditional Chinese medicine Kansui by combination of in silico target prediction, surface plasmon resonance, and UPLC-HR-MS/MS.","authors":"Haipeng Jiang, Wenxi Xu, Tian Bi, Biao Wang, Mengyun Shi, Jiamin Lv, Huwei Liu","doi":"10.1007/s00216-025-05911-2","DOIUrl":"10.1007/s00216-025-05911-2","url":null,"abstract":"<p><p>Screening of ligands from natural products, especially traditional herbs, has always been an important pathway for drug discovery. In the current work, we present a strategy for the screening of active substances from TCM by combination of in silico target prediction, surface plasmon resonance (SPR), and UPLC-HR-MS/MS, using Kansui as an illustration. In the first, in silico target prediction of diterpenoids from Kansui was performed, aiming to improve the success rate of screening. Carbonic anhydrase II (CA II) were within the most likely targets. Then, SPR combined with UPLC-HR-MS/MS analysis was employed for the screening of ligands for CA II from a mixture of Kansui extract and for the structural identification of the captured ingredients. It was found that the ligands of CA II are mainly ingenane-type diterpenoids, which was further validated by enzymatic activity experiments and molecular docking that ingenane-type diterpenoids have more affinity and potency for CA II activation. It is the first time that the ligands of CA II have been screened from the extract of Kansui, and the present ligand screening work also providing clues to the pharmacological mechanisms and rationality of vinegar-processed Kansui.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"3879-3892"},"PeriodicalIF":3.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144186170","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}