Analytical and Bioanalytical Chemistry最新文献_第10页

Development and validation of the UHPLC-MS/MS method for the quantitative determination of 25 PFAS in dried blood spots. 开发并验证超高效液相色谱-质谱/质谱法，用于定量检测干血斑中的 25 种全氟辛烷磺酸。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-19 DOI: 10.1007/s00216-024-05484-6

Martina Galletto, Christina Ververi, Marta Massano, Eugenio Alladio, Marco Vincenti, Alberto Salomone

{"title":"Development and validation of the UHPLC-MS/MS method for the quantitative determination of 25 PFAS in dried blood spots.","authors":"Martina Galletto, Christina Ververi, Marta Massano, Eugenio Alladio, Marco Vincenti, Alberto Salomone","doi":"10.1007/s00216-024-05484-6","DOIUrl":"https://doi.org/10.1007/s00216-024-05484-6","url":null,"abstract":"Per- and polyfluoroalkyl substances (PFAS) are anthropogenic fluorine-containing compounds largely used in industrial and consumer applications. They tend to bioaccumulate in the human body after intake from various sources in daily life. Following repeated exposure to PFAS, a broad range of adverse health outcomes has been reported. Consequently, monitoring PFAS levels in human blood is of paramount importance for public health policies. In contrast with traditional venipuncture, dried blood spots (DBS) constitute a reliable, cheap, and less invasive technique to allow microsampling by capillary blood collected on a specific device. This work aimed to develop and validate an innovative analytical method, combining quantitative DBS with UHPLC-MS/MS instrumentation to identify and quantify 25 PFAS. The extraction procedure was developed and optimized within the range 2-100 ng/mL. Specifically, fortified blood was applied on Capitainer®B devices providing 10 μL of blood volume through a microfluidic channel. After 3 h of drying, the extraction was performed by methanol under sonication, followed by centrifugation. Then, the extraction solvent was evaporated; the residue was reconstituted with the mobile phase solution. The validated method evidenced good sensitivity, with limits of detection ranging from 0.4 ng/mL (PFODA, PFOS) to 1.0 ng/mL (PFOA, 3,6-OPFHpA). The ± 20% acceptability criteria established for intra- and inter-day precision and accuracy were fulfilled for all analytes. High recovery-above 80%-was recorded, whereas significant matrix effect resulted in ion enhancement (> 50%) for 13 analytes. In conclusion, the proposed workflow proved to be reliable, fit for purpose, and easily adaptable in the laboratory routine.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142003293","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

Microchip construction for migration assays: investigating the impact of physical confinement on cell morphology and motility during vaccinia virus infection. 用于迁移试验的微芯片构建：研究疫苗病毒感染过程中物理限制对细胞形态和运动的影响。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-19 DOI: 10.1007/s00216-024-05485-5

Cheng Wang, Yueyue Huangfu, Ji Wang, Xiaofeng Lu, Dong Liu, Zhi-Ling Zhang

{"title":"Microchip construction for migration assays: investigating the impact of physical confinement on cell morphology and motility during vaccinia virus infection.","authors":"Cheng Wang, Yueyue Huangfu, Ji Wang, Xiaofeng Lu, Dong Liu, Zhi-Ling Zhang","doi":"10.1007/s00216-024-05485-5","DOIUrl":"https://doi.org/10.1007/s00216-024-05485-5","url":null,"abstract":"Vaccinia virus (VACV)-induced cell migration is thought to be closely related to the rapid transmission of viral infection in the body. The limited studies are mainly based on scratch assay using traditional cell culture techniques, which inevitably ignores the influences of extracellular microenvironment. Physical confinement, inherently presenting in vivo, has proven to be a critical extern cue in modulating migration behaviors of multiple cells, while its impacts on VACV-induced cell motility remain unclear. Herein, we developed a migration assay microchip featuring confined microchannel array to investigate the effect of physical confinement on infected cell morphology and motility during VACV infection. Results showed that different from the random cell migration observed in traditional scratch assay on planar substrate, VACV-infected cells exhibited accelerated directionally persistent migration under confinement microenvironment. Moreover, single-directed elongated dominant lamella appeared to contrast distinctly with multiple protrusions stretched in random directions under unconfined condition. Additionally, the Golgi complex tended to relocate behind the nucleus confined within the microchannel axis compared to the classical reorientation pattern. These differences in characteristic subcellular architecture and organelle reorientation of migrating cells revealed cell biological mechanisms underlying altered migration behavior. Collectively, our study demonstrates that physical confinement acting as a guidance cue has profound impacts on VACV-induced migration behaviors, which provides new insight into cell migration behavior and viral rapid spread during VACV infection.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141999188","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, validation and application of an LC-MS/MS method quantifying free forms of the micronutrients queuine and queuosine in human plasma using a surrogate matrix approach. 利用替代基质法开发、验证和应用一种 LC-MS/MS 方法，以定量检测人体血浆中游离形式的微量营养素奎宁和奎宁酸。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-19 DOI: 10.1007/s00216-024-05489-1

Xiaobei Pan, Swathine Chandrasekaran, Jayne V Woodside, Steffi G Riedel-Heller, Martin Scherer, Michael Wagner, Alfredo Ramirez, Brian D Green

{"title":"Development, validation and application of an LC-MS/MS method quantifying free forms of the micronutrients queuine and queuosine in human plasma using a surrogate matrix approach.","authors":"Xiaobei Pan, Swathine Chandrasekaran, Jayne V Woodside, Steffi G Riedel-Heller, Martin Scherer, Michael Wagner, Alfredo Ramirez, Brian D Green","doi":"10.1007/s00216-024-05489-1","DOIUrl":"https://doi.org/10.1007/s00216-024-05489-1","url":null,"abstract":"Queuosine (Q) is a hypermodified 7-deaza-guanosine nucleoside exclusively synthesized by bacteria. This micronutrient and its respective nucleobase form queuine (q) are salvaged by humans either from gut microflora or digested food. Depletion of Q-tRNA in human or mouse cells causes protein misfolding that triggers endoplasmic reticular stress and the activation of the unfolded protein responses. In vivo, this reduces the neuronal architecture of the mouse brain affecting learning and memory. Herein, a sensitive method for quantifying free q and Q in human blood was developed, optimised and validated. After evaluating q/Q extraction efficiency in several different solid-phase sorbents, Bond Elut PBA (phenylboronic acid) cartridges were found to have the highest extraction recovery for q (82%) and Q (71%) from pooled human plasma. PBS with 4% BSA was used as surrogate matrix for method development and validation. An LC-MS/MS method was validated across the concentration range of 0.0003-1 µM for both q and Q, showing excellent linearity (r2 = 0.997 (q) and r2 = 0.998 (Q)), limit of quantification (0.0003 µM), accuracy (100.39-125.71%) and precision (CV% < 15.68%). In a sampling of healthy volunteers (n = 44), there was no significant difference in q levels between male (n = 14; mean = 0.0068 µM) and female (n = 30; mean = 0.0080 µM) participants (p = 0.50). Q was not detected in human plasma. This validated method can now be used to further substantiate the role of q/Q in nutrition, physiology and pathology.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142003294","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

Nasal exudate for diagnosis of stroke: fundamental studies through iron fractionation, total iron, and targeted protein determinations. 诊断中风的鼻腔渗出物：通过铁分馏、总铁和目标蛋白质测定进行基础研究。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-17 DOI: 10.1007/s00216-024-05469-5

Marta Marina-Latorre, Lara Lobo, Carmen García-Cabo, Lorena Benavente-Fernández, Sergio Calleja-Puerta, M Teresa Fernández-Abedul, Héctor González-Iglesias, Rosario Pereiro

{"title":"Nasal exudate for diagnosis of stroke: fundamental studies through iron fractionation, total iron, and targeted protein determinations.","authors":"Marta Marina-Latorre, Lara Lobo, Carmen García-Cabo, Lorena Benavente-Fernández, Sergio Calleja-Puerta, M Teresa Fernández-Abedul, Héctor González-Iglesias, Rosario Pereiro","doi":"10.1007/s00216-024-05469-5","DOIUrl":"https://doi.org/10.1007/s00216-024-05469-5","url":null,"abstract":"During the last years, there has been an increasing research interest in the analysis of biological fluids requiring non-invasive sampling for biomedical and clinical applications. In this work, we have focused on the nasal exudate with the aim of investigating the potential use of this fluid to know the role of iron in stroke and also for diagnosis. Potential differences in the nasal exudate, collected in swabs, from diagnosed hemorrhagic stroke, ischemic stroke, and control groups were investigated with regard to total iron by inductively coupled plasma-mass spectrometry, iron fractionation studies by size exclusion chromatography together with post-column isotope dilution analysis, and four proteins containing iron (ferritin, transferrin, lactoferrin, and ferroportin) with ELISA kits. All these analyses represent an analytical challenge, considering the rather limited amount of sample (10-40 mg) available, being the nasal exudate extracted from the swab with 300 µL 10 mM Tris/HCl, pH = 7.4. Studies to obtain reliable analytical information, such as the blank contribution of the sampling step, evaluation of the extraction efficiency of the nasal exudate from the swab, and normalization strategies for data treatment, have been carried out. Results showed that despite the limited number of investigated samples, fractionation studies as well as the concentrations of ferritin and ferroportin obtained with ELISA kits showed a differential behavior between the different cohorts.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141995032","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

Silver-based bimetallic nanozyme fabrics with peroxidase-mimic activity for urinary glucose detection. 具有过氧化物酶模拟活性的银基双金属纳米酶织物用于尿糖检测。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-17 DOI: 10.1007/s00216-024-05483-7

Sanjana Naveen Prasad, Sanje Mahasivam, Rajesh Ramanathan, Vipul Bansal

{"title":"Silver-based bimetallic nanozyme fabrics with peroxidase-mimic activity for urinary glucose detection.","authors":"Sanjana Naveen Prasad, Sanje Mahasivam, Rajesh Ramanathan, Vipul Bansal","doi":"10.1007/s00216-024-05483-7","DOIUrl":"https://doi.org/10.1007/s00216-024-05483-7","url":null,"abstract":"The enhanced catalytic properties of bimetallic nanoparticles have been extensively investigated. In this study, bimetallic Ag-M (M = Au, Pt, or Pd) cotton fabrics were fabricated using a combination of electroless deposition and galvanic replacement reactions, and improvement in their peroxidase-mimicking catalytic activity compared to that of the parent Ag fabric was studied. The Ag-Pt bimetallic nanozyme fabric, which showed the highest catalytic activity and ability to simultaneously generate hydroxyl (•OH) and superoxide (O2•-) radicals, was assessed as a urine glucose sensor. This nanozyme fabric sensor could directly detect urinary glucose in the pathophysiologically relevant high millimolar range without requiring sample predilution. The sensor could achieve performance on par with that of the current clinical gold standard assay. These features of the Ag-Pt nanozyme sensor, particularly its ability to avoid interference effects from complex urinary matrices, position it as a viable candidate for point-of-care urinary glucose monitoring.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141995034","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

Parallel coupling of gas chromatography to mass spectrometry and solid deposition Fourier transform infrared spectroscopy: an innovative approach to address challenging identifications. 将气相色谱法与质谱法和固体沉积傅立叶变换红外光谱法并行耦合：解决鉴定难题的创新方法。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-17 DOI: 10.1007/s00216-024-05482-8

Carmelo Coppolino, Emanuela Trovato, Tania M G Salerno, Lorenzo Cucinotta, Danilo Sciarrone, Paola Donato, Luigi Mondello

{"title":"Parallel coupling of gas chromatography to mass spectrometry and solid deposition Fourier transform infrared spectroscopy: an innovative approach to address challenging identifications.","authors":"Carmelo Coppolino, Emanuela Trovato, Tania M G Salerno, Lorenzo Cucinotta, Danilo Sciarrone, Paola Donato, Luigi Mondello","doi":"10.1007/s00216-024-05482-8","DOIUrl":"https://doi.org/10.1007/s00216-024-05482-8","url":null,"abstract":"The request for novel hyphenated instruments and techniques, capable of affording exhaustive information and results, is a focus continuously watched out. In this context, the present work aimed at the development of an integrated system combining gas chromatographic (GC) separation with mass spectrometry (MS) and (solid deposition) Fourier transform infrared spectroscopy (FTIR) detection. An external transfer line was designed in the lab for the parallel coupling of the two detectors, in such a way to obtain complementary analytical information consisting of an MS spectrum, an IR spectrum and linear retention indices (LRI), within a single analysis. The instrument performance was demonstrated for the analysis of a commercial mixture consisting of 139 hydrocarbons, comprising linear, branched, unsaturated and aromatic compounds. A 100-m poly(dimethylsiloxane) column was employed for the separation, and the outlet flow was split 95:5 between the IR and MS detectors using two uncoated capillaries. The IR spectra were acquired from solid deposits on a zinc selenide disc (-90 °C), over a spot (detector area) of about 0.1 mm2, in the range of 4000-700 cm-1 and at a resolution of 4 cm-1. Final identification of the separated compounds by a library search was achieved by excluding incorrect results, sequentially using a three-filter approach (85% similarity against reference MS and IR library spectra and ±10 LRI unit tolerance). Based on these preliminary results, the GC-MS/sd-FTIR system is a promising tool for the characterization of complex matrix constituents, for which identification is cumbersome, by using only one detection technique.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141995033","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

Investigating the quality of extraction and quantification of bioactive compounds in berries through liquid chromatography and multivariate curve resolution. 通过液相色谱法和多元曲线解析法研究浆果中生物活性化合物的提取和定量质量。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-15 DOI: 10.1007/s00216-024-05474-8

Thamani Freedom Gondo, Fang Huang, Nittaya Marungruang, Lovisa Heyman-Lindén, Charlotta Turner

{"title":"Investigating the quality of extraction and quantification of bioactive compounds in berries through liquid chromatography and multivariate curve resolution.","authors":"Thamani Freedom Gondo, Fang Huang, Nittaya Marungruang, Lovisa Heyman-Lindén, Charlotta Turner","doi":"10.1007/s00216-024-05474-8","DOIUrl":"https://doi.org/10.1007/s00216-024-05474-8","url":null,"abstract":"Berries are a rich source of natural antioxidant compounds, which are essential to profile, as they add to their nutritional value. However, the complexity of the matrix and the structural diversity of these compounds pose challenges in extraction and chromatographic separation. By relying on multivariate curve resolution alternating least squares (MCR-ALS) ability to extract components from complex spectral mixtures, our study evaluates the contributions of various extraction techniques to interference, extractability, and quantifying different groups of overlapping compounds using liquid chromatography diode array detection (LC-DAD) data. Additionally, the combination of these methods extends its applicability to evaluate polyphenol degradation in stored berry smoothies, where evolving factor analysis (EFA) is also used to elucidate degradation products. Results indicate that among the extraction techniques, ultrasonication-assisted extraction employing 1% formic acid in methanol demonstrated superior extractability and selectivity for the different phenolic compound groups, compared with both pressurized liquid extraction and centrifugation of the fresh berry smoothie. Employing MCR-ALS on the LC-DAD data enabled reliable estimation of total amounts of compound classes with high spectral overlaps. Degradation studies revealed significant temperature-dependent effects on anthocyanins, with at least 50% degradation after 7 months of storage at room temperature, while refrigeration and freezing maintained fair stability for at least 12 months. The EFA model estimated phenolic derivatives as the main possible degradation products. These findings enhance the reliability of quantifying polyphenolic compounds and understanding their stability during the storage of berry products.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141981391","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

Unraveling the complexity of glycosphingolipidome: the key role of mass spectrometry in the structural analysis of glycosphingolipids. 揭开糖蛋白脂质体的复杂面纱：质谱法在糖蛋白脂质体结构分析中的关键作用。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-14 DOI: 10.1007/s00216-024-05475-7

Karel Hořejší, Michal Holčapek

{"title":"Unraveling the complexity of glycosphingolipidome: the key role of mass spectrometry in the structural analysis of glycosphingolipids.","authors":"Karel Hořejší, Michal Holčapek","doi":"10.1007/s00216-024-05475-7","DOIUrl":"https://doi.org/10.1007/s00216-024-05475-7","url":null,"abstract":"Glycosphingolipids (GSL) are a highly heterogeneous class of lipids representing the majority of the sphingolipid category. GSL are fundamental constituents of cellular membranes that have key roles in various biological processes, such as cellular signaling, recognition, and adhesion. Understanding the structural complexity of GSL is pivotal for unraveling their functional significance in a biological context, specifically their crucial role in the pathophysiology of various diseases. Mass spectrometry (MS) has emerged as a versatile and indispensable tool for the structural elucidation of GSL enabling a deeper understanding of their complex molecular structures and their key roles in cellular dynamics and patholophysiology. Here, we provide a thorough overview of MS techniques tailored for the analysis of GSL, emphasizing their utility in probing GSL intricate structures to advance our understanding of the functional relevance of GSL in health and disease. The application of tandem MS using diverse fragmentation techniques, including novel ion activation methodologies, in studying glycan sequences, linkage positions, and fatty acid composition is extensively discussed. Finally, we address current challenges, such as the detection of low-abundance species and the interpretation of complex spectra, and offer insights into potential solutions and future directions by improving MS instrumentation for enhanced sensitivity and resolution, developing novel ionization techniques, or integrating MS with other analytical approaches for comprehensive GSL characterization.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141974772","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

Critical review on in silico methods for structural annotation of chemicals detected with LC/HRMS non-targeted screening. 对通过 LC/HRMS 非靶向筛选检测到的化学品结构注释的硅学方法进行严格审查。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-14 DOI: 10.1007/s00216-024-05471-x

Henrik Hupatz, Ida Rahu, Wei-Chieh Wang, Pilleriin Peets, Emma H Palm, Anneli Kruve

{"title":"Critical review on in silico methods for structural annotation of chemicals detected with LC/HRMS non-targeted screening.","authors":"Henrik Hupatz, Ida Rahu, Wei-Chieh Wang, Pilleriin Peets, Emma H Palm, Anneli Kruve","doi":"10.1007/s00216-024-05471-x","DOIUrl":"https://doi.org/10.1007/s00216-024-05471-x","url":null,"abstract":"Non-targeted screening with liquid chromatography coupled to high-resolution mass spectrometry (LC/HRMS) is increasingly leveraging in silico methods, including machine learning, to obtain candidate structures for structural annotation of LC/HRMS features and their further prioritization. Candidate structures are commonly retrieved based on the tandem mass spectral information either from spectral or structural databases; however, the vast majority of the detected LC/HRMS features remain unannotated, constituting what we refer to as a part of the unknown chemical space. Recently, the exploration of this chemical space has become accessible through generative models. Furthermore, the evaluation of the candidate structures benefits from the complementary empirical analytical information such as retention time, collision cross section values, and ionization type. In this critical review, we provide an overview of the current approaches for retrieving and prioritizing candidate structures. These approaches come with their own set of advantages and limitations, as we showcase in the example of structural annotation of ten known and ten unknown LC/HRMS features. We emphasize that these limitations stem from both experimental and computational considerations. Finally, we highlight three key considerations for the future development of in silico methods.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141974770","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

Self-powered wearable biosensor based on stencil-printed carbon nanotube electrodes for ethanol detection in sweat. 基于模板印刷碳纳米管电极的自供电可穿戴生物传感器，用于检测汗液中的乙醇。

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2024-08-12 DOI: 10.1007/s00216-024-05467-7

Verdiana Marchianò, Angelo Tricase, Eleonora Macchia, Paolo Bollella, Luisa Torsi

{"title":"Self-powered wearable biosensor based on stencil-printed carbon nanotube electrodes for ethanol detection in sweat.","authors":"Verdiana Marchianò, Angelo Tricase, Eleonora Macchia, Paolo Bollella, Luisa Torsi","doi":"10.1007/s00216-024-05467-7","DOIUrl":"https://doi.org/10.1007/s00216-024-05467-7","url":null,"abstract":"Herein we introduce a novel water-based graphite ink modified with multiwalled carbon nanotubes, designed for the development of the first wearable self-powered biosensor enabling alcohol abuse detection through sweat analysis. The stencil-printed graphite (SPG) electrodes, printed onto a flexible substrate, were modified by casting multiwalled carbon nanotubes (MWCNTs), electrodepositing polymethylene blue (pMB) at the anode to serve as a catalyst for nicotinamide adenine dinucleotide (NADH) oxidation, and hemin at the cathode as a selective catalyst for H2O2 reduction. Notably, alcohol dehydrogenase (ADH) was additionally physisorbed onto the anodic electrode, and alcohol oxidase (AOx) onto the cathodic electrode. The self-powered biosensor was assembled using the ADH/pMB-MWCNTs/SPG||AOx/Hemin-MWCNTs/SPG configuration, enabling the detection of ethanol as an analytical target, both at the anodic and cathodic electrodes. Its performance was assessed by measuring polarization curves with gradually increasing ethanol concentrations ranging from 0 to 50 mM. The biosensor demonstrated a linear detection range from 0.01 to 0.3 mM, with a detection limit (LOD) of 3 ± 1 µM and a sensitivity of 64 ± 2 μW mM-1, with a correlation coefficient of 0.98 (RSD 8.1%, n = 10 electrode pairs). It exhibited robust operational stability (over 2800 s with continuous ethanol turnover) and excellent storage stability (approximately 93% of initial signal retained after 90 days). Finally, the biosensor array was integrated into a wristband and successfully evaluated for continuous alcohol abuse monitoring. This proposed system displays promising attributes for use as a flexible and wearable biosensor employing biocompatible water-based inks, offering potential applications in forensic contexts.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141970324","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