Analytical and Bioanalytical Chemistry最新文献

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Standard Reference Material (SRM®) 1950 metabolites in frozen human plasma-use, impact, lessons learned, and future perspectives. 标准参考物质(SRM®)1950在冷冻人血浆代谢物-使用,影响,经验教训,和未来的前景。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-16 DOI: 10.1007/s00216-026-06867-7
Stephen A Wise, Adam J Kuszak, Johanna E Camara
{"title":"Standard Reference Material (SRM®) 1950 metabolites in frozen human plasma-use, impact, lessons learned, and future perspectives.","authors":"Stephen A Wise, Adam J Kuszak, Johanna E Camara","doi":"10.1007/s00216-026-06867-7","DOIUrl":"https://doi.org/10.1007/s00216-026-06867-7","url":null,"abstract":"<p><p>In 2011, the National Institute of Standards and Technology (NIST), in collaboration with the National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK) at the National Institutes of Health (NIH), issued Standard Reference Material (SRM)® 1950 Metabolites in Frozen Human Plasma to support metabolomics measurements. This critical review traces the development of SRM 1950 and assesses its use and impact over the past 15 years. To evaluate its impact, we reviewed more than 400 technical papers demonstrating its broad adoption in analytical, metabolomic, and lipidomic research. While SRM 1950 included certified values for selected amino acids, fatty acids, and clinical markers (such as cholesterol, glucose, 25-hydroxyvitamin D, and steroid hormones), its greatest impact has been as a shared material for interlaboratory comparisons and the community-generated consensus or target values established for the broad scope of compounds commonly measured in metabolomic and lipidomic studies. Many studies used SRM 1950 to validate analytical methods against NIST-certified values, while over 50 papers provided extensive qualitative and quantitative characterization and compared their results with interlaboratory consensus values and other studies to assess method and platform performance. The success of SRM 1950 helped to catalyze the development of additional NIST reference materials (RMs) for the \"omics\" communities and highlighted the potential of existing clinical and environmental matrix SRMs for further untargeted characterization and community reporting. Based on this literature review, we offer recommendations to expand the use and impact of the next generation of SRM 1950 and other SRMs/RMs intended and/or useful for untargeted analyses.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149206422","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
Response to the Letter to the Editor entitled "Analytical validation does not necessarily establish biological validity". 对题为“分析验证不一定建立生物学效度”的致编辑信的回应。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-15 DOI: 10.1007/s00216-026-06858-8
Arianna Antonucci, Matteo Albano, Ivano Pindinello, Leila Fabiani, Claudia Cipollone, Giada Mastrangeli, Riccardo Mastrantonio, Mario Muselli, Cinzia Lucia Ursini, Delia Cavallo, Marta Petyx, Giorgia Di Gennaro, Giuseppe De Palma, Matteo Vitali, Carmela Protano
{"title":"Response to the Letter to the Editor entitled \"Analytical validation does not necessarily establish biological validity\".","authors":"Arianna Antonucci, Matteo Albano, Ivano Pindinello, Leila Fabiani, Claudia Cipollone, Giada Mastrangeli, Riccardo Mastrantonio, Mario Muselli, Cinzia Lucia Ursini, Delia Cavallo, Marta Petyx, Giorgia Di Gennaro, Giuseppe De Palma, Matteo Vitali, Carmela Protano","doi":"10.1007/s00216-026-06858-8","DOIUrl":"https://doi.org/10.1007/s00216-026-06858-8","url":null,"abstract":"","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178596","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
Sustainable waste-derived carbon/Bi2O3-Sm ternary composite for sensitive electrochemical detection of Pb2+ and Cd2+ ions in surface water. 可持续废弃物碳/Bi2O3-Sm三元复合材料对地表水中Pb2+和Cd2+离子的灵敏电化学检测。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-14 DOI: 10.1007/s00216-026-06874-8
Jelena Gulicovski, Katarina Nikolić, Milan Kragović, Marija Stojmenović, Ivona Janković-Častvan, Janez Kovač, Dalibor Stanković
{"title":"Sustainable waste-derived carbon/Bi<sub>2</sub>O<sub>3</sub>-Sm ternary composite for sensitive electrochemical detection of Pb<sup>2+</sup> and Cd<sup>2+</sup> ions in surface water.","authors":"Jelena Gulicovski, Katarina Nikolić, Milan Kragović, Marija Stojmenović, Ivona Janković-Častvan, Janez Kovač, Dalibor Stanković","doi":"10.1007/s00216-026-06874-8","DOIUrl":"https://doi.org/10.1007/s00216-026-06874-8","url":null,"abstract":"<p><p>The detection of Cd<sup>2+</sup> and Pb<sup>2+</sup> ions is very important due to the significant risk to human health. The application of carbon nanomaterials or their nanocomposites obtained from biomass of agricultural waste for the development of electrochemical sensors represents a sustainable approach with great potential for rapid analysis in the field. Due to the facts mentioned, a new waste-derived and sustainable carbon material from almond shells (AS) was developed, modified with Bi<sub>2</sub>O<sub>3</sub>-Sm, and used as the final composite material (CAS@BiSm) to construct the sensor. Electron microscopy of CAS@BiSm reveals a lamellar and heterogeneous morphology, with dopant particles present, as confirmed by EDS and XPS analyses. The novel sensor was recording Cd<sup>2+</sup> and Pb<sup>2+</sup> ions in an acetate buffer (pH 4.5), at an accumulation potential of -1 V (vs. Ag/AgCl electrode), for a time of 210 s by ASV scan over a potential range from -1 to -0.4 V. The optimized sensor shows excellent analytical response toward the detection of Cd<sup>2+</sup> and Pb<sup>2+</sup> ions, with a linear range from 2 nM to 1 µM for both metals, LOD values of 1.34 × 10<sup>-9</sup> M and 0.92 × 10<sup>-9</sup> M for Cd<sup>2+</sup> and Pb<sup>2+</sup> ions, respectively. Ten consecutive measurements gave a relative standard deviation in peak current of 4.3%, indicating satisfactory measurement reproducibility. However, the selectivity of the method showed that there is a significant impact of copper and zinc ions on the determination of the analyte, and their influence must be reduced before applying the method. The AGREE score of 0.85 indicates that waste-derived carbon/Bi<sub>2</sub>O<sub>3</sub>-Sm composite is a promising green and environmentally friendly alternative to commercially available carbon sources. The efficient application of sensors in real time confirmed the above facts. The excellent performance of the developed method shows that the preparation of carbon from renewable sources can significantly reduce waste, give new functions to these materials, and increase the sustainability of electroanalytical sensors.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178523","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 of a highly sensitive photometric readout platform technology using SPAAC-modified HRP liposomes. 利用spaac修饰的HRP脂质体开发高灵敏度光度读出平台技术。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-13 DOI: 10.1007/s00216-026-06865-9
Carina Dobner, Kilian Hoecherl, Antje J Baeumner
{"title":"Development of a highly sensitive photometric readout platform technology using SPAAC-modified HRP liposomes.","authors":"Carina Dobner, Kilian Hoecherl, Antje J Baeumner","doi":"10.1007/s00216-026-06865-9","DOIUrl":"https://doi.org/10.1007/s00216-026-06865-9","url":null,"abstract":"<p><p>Liposome-based bioassays take advantage of liposomes' immense signaling power and easy surface modification. Photometric, electrochemical, and fluorescent detection methods dominate their application in bioassays. Here, it is studied how covalent modification of the liposome surface with proteins affects the functionality of entrapped enzymes. Horseradish peroxidase (HRP) was selected as a model for entrapment while streptavidin served as a model surface ligand. Several coupling reagents negatively affected the functionality of entrapped HRP. In the case of EDC-sNHS chemistry, membrane-permeable reagents inactivated HRP. Similarly, when applying copper-free click chemistry, in particular strain-promoted azide-alkyne cycloaddition (SPAAC), azide-functionalized lipids caused enzyme inactivation probably through coordination with the prosthetic heme iron of HRP. In contrast, the inverse approach employing DBCO-functionalized lipids fully preserved HRP activity. Under optimized conditions with coupling times of only 24 h at room temperature, streptavidin coupling efficiencies reached standard levels. Entrapped HRP was stabilized with 310 mM trehalose and 2 mg/mL HSA enabling storage for up to 6 months after streptavidin modification. HRP-loaded liposomes were evaluated by adapting an assay for the detection of SARS-CoV-2 neutralizing antibodies in serum. Therefore, the liposome surface was modified with the receptor binding domain (RBD) of the SARS-CoV-2 spike protein. The RBD-modified liposomes with simple photometric detection demonstrated a similar sensitivity as fluorescent sulforhodamine B (SRB) liposomes, with a strong correlation of both methods (Pearson's r = 0.987). HRP liposomes are hence a reliable platform for visual or photometric bioassays providing similar limits of detection as fluorescent approaches making them ideal for routine lab and point-of-care applications.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178522","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
Selective N-pyridinium derivatization for molecular characterization of neutral oxygenated compounds in fossil fuels by high-resolution mass spectrometry. 选择性n -吡啶衍生化用于化石燃料中中性含氧化合物的高分辨率质谱分子表征。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-12 DOI: 10.1007/s00216-026-06864-w
Junyang Chen, Xinyi Feng, Yunyun Li, Yaqi Bi, Quan Shi
{"title":"Selective N-pyridinium derivatization for molecular characterization of neutral oxygenated compounds in fossil fuels by high-resolution mass spectrometry.","authors":"Junyang Chen, Xinyi Feng, Yunyun Li, Yaqi Bi, Quan Shi","doi":"10.1007/s00216-026-06864-w","DOIUrl":"https://doi.org/10.1007/s00216-026-06864-w","url":null,"abstract":"<p><p>Neutral oxygenated compounds (NOCs), including alcohols and ketones, constitute one of the most analytically challenging classes of molecules in the molecular characterization of fossil fuels, largely owing to the absence of selective analytical methods capable of detecting them at trace concentrations. Here, we report a selective chemical derivatization strategy using deuterated pyridine (D₅-pyridine) and thionyl chloride (SOCl<sub>2</sub>) to convert alcohols and ketones into N-alkylpyridinium quaternary ammonium salts. The resulting derivatives exhibit greatly enhanced ionization response in positive-ion electrospray high-resolution mass spectrometry (ESI(+) Orbitrap MS). Importantly, the use of D₅-pyridine eliminates spectral interference from native basic nitrogen compounds in crude oil, enabling unambiguous assignment of molecular formulas. The method allows simultaneous profiling of both alcohols and ketones with excellent selectivity, as confirmed by model compound studies. Quantification using 1-tetradecanol (C<sub>14</sub>-alcohol) and 3-tetradecanone (C<sub>14</sub>-ketone) as internal standards demonstrates good linearity (R<sup>2</sup> > 0.96). Application to seven crude oils from Chinese oilfields reveals that alcohols (0.4~4.0% w/w) and ketones (0.015~0.070% w/w) are predominantly present as aliphatic, alicyclic, and aromatic structures, with oxygen levels below the detection limit of conventional elemental analyzers. This derivatization-based approach provides an analytical tool for tracing neutral oxygenated compounds in petroleum systems and demonstrates that these compounds contribute minimally to the total oxygen content of conventional fossil fuels compared to acidic oxygen-containing species.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149163704","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
Selective electrochemical determination of norfloxacin in food samples using template-derived recognition cavities and conductive nanostructured networks. 利用模板衍生识别空腔和导电纳米结构网络选择性电化学测定食品样品中的诺氟沙星。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-10 DOI: 10.1007/s00216-026-06860-0
Thitima Thatujirangkul, Nutthaya Butwong, Jitlada Vichapong, Pikaned Uppachai, Wirat Jarernboon, Siriboon Mukdasai
{"title":"Selective electrochemical determination of norfloxacin in food samples using template-derived recognition cavities and conductive nanostructured networks.","authors":"Thitima Thatujirangkul, Nutthaya Butwong, Jitlada Vichapong, Pikaned Uppachai, Wirat Jarernboon, Siriboon Mukdasai","doi":"10.1007/s00216-026-06860-0","DOIUrl":"https://doi.org/10.1007/s00216-026-06860-0","url":null,"abstract":"<p><p>Norfloxacin (NFC) residues in food products remain a concern because of their potential contribution to antimicrobial resistance and adverse health effects. This study presents a disposable electrochemical method for the selective determination of NFC based on template-derived molecular recognition cavities integrated with a conductive AgNWs/MWCNTs nanostructured network on a screen-printed electrode. The conductive scaffold provided an enlarged electroactive surface and facilitated interfacial charge transfer, whereas the molecular recognition cavities enabled selective rebinding of NFC and improved discrimination against matrix interferences. The synergistic integration of molecular recognition and signal transduction generated a sensitive analytical interface for NFC determination in processed extracts from complex food matrices. Under optimized conditions, the proposed sensor exhibited a linear concentration range of 0.16-25.00 µM, with a detection limit of 0.04 µM. The analytical applicability of the method was evaluated using fortified processed extracts of milk, egg, and shrimp, yielding recoveries of 90.1-107.0%, 91.6-106.0%, and 91.7-106.0%, respectively, with relative standard deviations below 8.9%. A limited comparison with HPLC showed no statistically significant differences for the milk extracts at all investigated concentrations or for the egg and shrimp extracts at 25.0 µM; however, significant differences were observed at lower concentrations in the egg and shrimp extracts. The proposed approach demonstrates the potential of molecular recognition cavity-based electrochemical sensing as a rapid, selective, and cost-effective strategy for screening NFC in processed food-sample extracts.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149163569","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 of a high-specificity nanobody-based enzyme-linked immunosorbent assay for the rapid detection of mebendazole residues. 基于纳米体的高特异性酶联免疫吸附法快速检测甲苯咪唑残留。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-09 DOI: 10.1007/s00216-026-06861-z
Yin Li, Baoyi Wang, Zexuan Wang, Wenjing Yan, Fang Tang, Jinxin He
{"title":"Development of a high-specificity nanobody-based enzyme-linked immunosorbent assay for the rapid detection of mebendazole residues.","authors":"Yin Li, Baoyi Wang, Zexuan Wang, Wenjing Yan, Fang Tang, Jinxin He","doi":"10.1007/s00216-026-06861-z","DOIUrl":"https://doi.org/10.1007/s00216-026-06861-z","url":null,"abstract":"<p><p>Mebendazole (MBZ) residues in animal-derived foods pose significant public health risks, necessitating robust monitoring tools. In this study, a high-specificity nanobody (Nb) against MBZ was isolated from an alpaca-derived phage display library. The selected Nb exhibited superior thermal stability, retaining over 90% of its binding activity even after 40 min of incubation, and maintaining more than 60% activity after 90 min, whereas conventional rabbit IgG and chicken IgY against MBZ lost all activity under identical conditions. A competitive ELISA developed using this Nb achieved an IC<sub>50</sub> of 4.42 ng/mL and a limit of detection of 0.13 ng/mL. Cross-reactivity with structurally related benzimidazoles (albendazole, fenbendazole, oxfendazole, flubendazole, and oxibendazole) was negligible (<1%), while the assay recognized the major metabolite amino-MBZ with 90.9% cross-reactivity. Validation in chicken and mutton matrices showed recoveries between 75 and 114% with strong correlation to HPLC-MS/MS analysis (0.995). These results confirm the Nb-based ELISA is a robust, rapid screening tool for MBZ residues in foods.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149147385","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
Nonenzymatic detection and imaging of m6A-methylated RNA via proximity hybridization-initiated hybridization chain reaction with site-specific recognition. 通过具有位点特异性识别的近距离杂交启动的杂交链反应对m6a甲基化RNA的非酶检测和成像。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-09 DOI: 10.1007/s00216-026-06866-8
Liang Xu, Mengru Li, Siyong Zhang, Yujie Wang, Xiaoyan Dai, Ying Chen, Hongmei Fu, Zhifa Shen, Shihao Xu
{"title":"Nonenzymatic detection and imaging of m6A-methylated RNA via proximity hybridization-initiated hybridization chain reaction with site-specific recognition.","authors":"Liang Xu, Mengru Li, Siyong Zhang, Yujie Wang, Xiaoyan Dai, Ying Chen, Hongmei Fu, Zhifa Shen, Shihao Xu","doi":"10.1007/s00216-026-06866-8","DOIUrl":"https://doi.org/10.1007/s00216-026-06866-8","url":null,"abstract":"<p><p>N<sup>6</sup>-methyladenosine (m6A) is a critical epitranscriptomic modification involved in diseases such as liver fibrosis and cancer. Imaging site-specific m6A methylation in intact cells with high resolution remains challenging, as current methods typically rely on enzymatic ligation or primer exchange amplification, which require external triggers and temperature-sensitive enzymes. In the current study, we present an enzyme-free amplification strategy, proximity hybridization-initiated hybridization chain reaction (PH-HCR), for in situ visualization of m6A-methylated RNAs. Dual probes recognizing both the target RNA sequence and the m6A modification enable proximity-dependent initiation of an autonomous HCR cascade without any exogenous initiator or enzymatic catalysis, generating fluorescent DNA nanowires for amplified signal generation. PH-HCR achieves a detection limit of 1.22 pM for synthetic m6A-containing transforming growth factor (TGF)-β1 mRNA, enables visualization of m6A-associated RNA changes in living cells, and reveals cell-to-cell heterogeneity of m6A-associated signals at single-cell resolution. The method is applicable to different RNA targets and cell types. By eliminating the need for ligases, polymerases, or external triggers, PH-HCR offers a simple, robust, and biocompatible tool for studying the spatiotemporal dynamics of m6A-modified RNAs in basic research and diagnostics.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149147178","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
A novel substrate for CYP3A4 phenotyping: in vitro biotransformation of hubamine into butanone. CYP3A4表型的新型底物:hubamine在体外转化为丁酮。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-09 DOI: 10.1007/s00216-026-06851-1
Rebecca Hofer, Valentina Stock, Klaus R Liedl, Jakob Troppmair, Christian Dank, Thierry Langer, Hubert Gstach, Sarah Kammerer, Veronika Ruzsanyi
{"title":"A novel substrate for CYP3A4 phenotyping: in vitro biotransformation of hubamine into butanone.","authors":"Rebecca Hofer, Valentina Stock, Klaus R Liedl, Jakob Troppmair, Christian Dank, Thierry Langer, Hubert Gstach, Sarah Kammerer, Veronika Ruzsanyi","doi":"10.1007/s00216-026-06851-1","DOIUrl":"https://doi.org/10.1007/s00216-026-06851-1","url":null,"abstract":"<p><p>CYP3A4 is a major drug-metabolising enzyme responsible for the biotransformation of many commonly used pharmaceuticals. However, its interindividual variability strongly influences pharmacokinetics, and thereby efficacy and adverse drug reactions. This variability underscores the need for accessible, minimally invasive phenotyping. Exhaled volatile analysis using unlabelled substrates offers a promising approach, provided that metabolism generates specific volatile products. In this study, we report the potential use of N-(sec-butyl)-N-(3,3-diphenylpropyl)butan-2-amine (hubamine) as a novel substrate for a CYP3A4 phenotyping assay. In vitro studies using HepG2 cells demonstrated that hubamine is metabolised to N-dealkylated hubamine (a non-volatile) and butanone (a volatile). Metabolite formation was significantly higher in HepG2 cells overexpressing CYP3A4 compared with CYP2C9 and CYP2D6 overexpressing cells, indicating high CYP3A4 specificity. Hubamine demonstrated superior performance compared with the substrates tolterodine, diisopromine and gstachamine. Method optimisation identified 75 µM substrate concentration and 90 min incubation time as ideal conditions, while preserving high cell viability. Inhibition assays confirmed CYP3A4-dependent metabolism. We demonstrate that gas chromatography-ion mobility spectrometry can be used as a sensitive, selective and portable analytical technique for detecting butanone, highlighting its suitability as a compact analytical platform for volatile metabolite analysis in complex headspace samples and its potential for decentralised analytical applications.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149147355","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
How my time in industry pointed me to a chemistry PhD and how that experience influenced my scientific perspective. 我在工业界的工作经历如何让我获得了化学博士学位,以及那段经历如何影响了我的科学观点。
IF 4.1 2区 化学
Analytical and Bioanalytical Chemistry Pub Date : 2026-10-09 DOI: 10.1007/s00216-026-06862-y
August K Longo
{"title":"How my time in industry pointed me to a chemistry PhD and how that experience influenced my scientific perspective.","authors":"August K Longo","doi":"10.1007/s00216-026-06862-y","DOIUrl":"https://doi.org/10.1007/s00216-026-06862-y","url":null,"abstract":"","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149134603","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
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