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Feasibility of non-invasive measurement of cardiac biomarkers using mid-infrared spectroscopy: finite element analysis and experimental validation 使用中红外光谱无创测量心脏生物标志物的可行性:有限元分析和实验验证
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-22 DOI: 10.1039/d5an00335k
Qingchao Zhang, Yuxuan Xing, Kaizheng Wang, Qiushuo Wu, Yang Zheng, Jian Wu, Xian Huang
{"title":"Feasibility of non-invasive measurement of cardiac biomarkers using mid-infrared spectroscopy: finite element analysis and experimental validation","authors":"Qingchao Zhang, Yuxuan Xing, Kaizheng Wang, Qiushuo Wu, Yang Zheng, Jian Wu, Xian Huang","doi":"10.1039/d5an00335k","DOIUrl":"https://doi.org/10.1039/d5an00335k","url":null,"abstract":"Attenuated total reflectance mid-infrared (ATR-MIR) spectroscopy provides a quick and efficient way to identify protein-specific absorption spectra, making it a promising technique for the non-invasive detection of cardiac biomarkers that are thought to be direct indicators of major cardiovascular events. However, there are still questions about the effectiveness of ATR-MIR in identifying various critical cardiac biomarkers and the detection depth of evanescent waves. This study employs finite element simulations to examine the optical path of attenuated total reflectance (ATR) and the detection depth of evanescent waves. To simulate a subcutaneous tissue environment, a polydimethylsiloxane (PDMS) reagent bath, a high-density melamine sponge, and a poly(ethylene terephthalate) (PET) film are used to assess the ability of MIR spectroscopy to detect cardiac biomarkers at different depths. The findings reveal that the absorption spectra of cardiac troponin I (cTnI), N-terminal pro-B-type natriuretic peptide (NT-proBNP), and C-reactive protein (CRP) show distinct characteristic peaks in the amide I and amide II bands with high specificity. At a depth of about 15 μm, the peak amplitude shows a strong correlation with the biomarker concentration. Even at a depth of 80 μm, the absorption spectrum of cTnI still displays significant characteristic peaks, confirming its ability to detect subcutaneous superficial cardiac biomarkers. This research underscores the considerable potential of ATR-MIR spectroscopy for the non-invasive detection of subcutaneous cardiac biomarkers, which could aid in the development of wearable devices for monitoring cardiovascular health, ultimately contributing to the prevention, diagnosis, and treatment of cardiovascular diseases.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"78 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Expression of concern: Amplified plasmonic detection of DNA hybridization using doxorubicin-capped gold particles 关注表达:利用阿霉素覆盖的金颗粒进行DNA杂交的放大等离子体检测
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-20 DOI: 10.1039/d5an90035b
Jolanda Spadavecchia, Ramesh Perumal, Alexandre Barras, Joel Lyskawa, Patrice Woisel, William Laure, Claire-Marie Pradier, Rabah Boukherroub, Sabine Szunerits
{"title":"Expression of concern: Amplified plasmonic detection of DNA hybridization using doxorubicin-capped gold particles","authors":"Jolanda Spadavecchia, Ramesh Perumal, Alexandre Barras, Joel Lyskawa, Patrice Woisel, William Laure, Claire-Marie Pradier, Rabah Boukherroub, Sabine Szunerits","doi":"10.1039/d5an90035b","DOIUrl":"https://doi.org/10.1039/d5an90035b","url":null,"abstract":"Expression of concern for ‘Amplified plasmonic detection of DNA hybridization using doxorubicin-capped gold particles’ by Jolanda Spadavecchia <em>et al.</em>, <em>Analyst</em>, 2014, <strong>139</strong>, 157–164, https://doi.org/10.1039/C3AN01794J.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"11 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144096999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Long-term device stability for Raman spectroscopy 拉曼光谱的长期器件稳定性
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-19 DOI: 10.1039/d5an00255a
Shuxia Guo, Anuradha Ramoji, Aikaterini Pistiki, Yilmaz Hulya, Uwe Glase, David L Vasquez-Pinzon, Iwan W. Schie, Ute Neugebauer, Anja Silge, Juergen Popp, Thomas Bocklitz
{"title":"Long-term device stability for Raman spectroscopy","authors":"Shuxia Guo, Anuradha Ramoji, Aikaterini Pistiki, Yilmaz Hulya, Uwe Glase, David L Vasquez-Pinzon, Iwan W. Schie, Ute Neugebauer, Anja Silge, Juergen Popp, Thomas Bocklitz","doi":"10.1039/d5an00255a","DOIUrl":"https://doi.org/10.1039/d5an00255a","url":null,"abstract":"Long-term stability of Raman setups is one of the critical criteria for using Raman spectroscopy in real-world applications. Substantial differences from long-term drifts of a device can largely reduce the reliability of the technology and lead to serious consequences in scenarios such as disease diagnostics. A systematic investigation of long-term device stability is urgently needed to understand the device-related variations and to help improve the situation. In this study, 13 substances were measured as quality control references weekly for 10 months on a Raman device as quality control references to investigate instrumental stability over time. The 13 substances were selected to be stable and to cover a wide range of standards, solvents, lipids, and carbohydrates. Approximately 50 Raman spectra of each substance were acquired per measurement day. A data pipeline was constructed to discover the variability (i.e., instability) of the device for the covered time window. Therein, the stability of the measurement was benchmarked from multiple perspectives, including the intensity variations, the correlation coefficients, the clustering, and the classification. The results suggested the device variability to be more random than systematic. Nonetheless, we demonstrated the possibility of decreasing the variations from the data via computational methods. In particular, we estimated the spectral variations by a network adapted from the variational autoencoder (VAE) and suppressed them from the measured data by the extensive multiplicative scattering correction (EMSC) method. This could improve the prediction of independent measurement days for three representative classification tasks.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"75 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088111","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 dual-mode colorimetric/photoelectrochemical sensing platform derived from the decomposition of CuHPT for glutathione detection 基于CuHPT分解的谷胱甘肽双模比色/光电化学传感平台
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-16 DOI: 10.1039/d5an00410a
Xianwen Kan, Haotian Xue
{"title":"A dual-mode colorimetric/photoelectrochemical sensing platform derived from the decomposition of CuHPT for glutathione detection","authors":"Xianwen Kan, Haotian Xue","doi":"10.1039/d5an00410a","DOIUrl":"https://doi.org/10.1039/d5an00410a","url":null,"abstract":"The development of integrated dual signal outputs for reliable and accurate determination of glutathione (GSH) is highly significant for its key role in the physiological processes. Herein, a colorimetric/photoelectrochemical (PEC) dual-mode sensing platform was constructed based on the GSH triggered decomposition of a copper-organic framework (CuHPT). A hollow nanostructured type-II heterojunction of CoS/In-CdS was synthesized using imidazolate framework (ZIF-67) as a template. CuHPT was decomposed in the presence of GSH to form catechol ligands and Cu+, enabling the dual-mode sensing. An ion exchange reaction between the produced Cu+ and Cd2+ of CoS/In-CdS resulted in the formation of Cu2S, causing the decrease of the photocurrent and the sensitive detection of GSH. Cu+ catalyzed H2O2 to produce ·OH via a Fenton-like reaction, achieving the colorimetric sensing. The proposed dual-mode sensor based on the target-triggered decomposition of CuHPT exhibited linear responses for colorimetric and PEC sensing of GSH in ranges of 0.05 - 1.20 mM and 0.5 - 800 μM, with the limit of detections (LODs) of 18 μM and 0.11 μM, respectively. The reliable determination of GSH in human serum provides a new possibility for application of the present dual-mode sensor in clinical assay.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"55 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144066173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Enhancing fouling resistance of graphite sheets for electrochemical sensing of bisphenol-A 提高双酚a电化学传感石墨片的耐污性能
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-15 DOI: 10.1039/d5an00313j
Diele A. G. Araújo, Lauro A. Pradela-Filho, Mariana C. Marra, Thiago C. Oliveira, Allyson L. Rodrigues, Luiz A. J. Silva, Anizio M. Faria, Eduardo M. Richter, Rodrigo A. A. Munoz, Thiago R. L. C. Paixão, Regina M. Takeuchi, André L. Santos
{"title":"Enhancing fouling resistance of graphite sheets for electrochemical sensing of bisphenol-A","authors":"Diele A. G. Araújo, Lauro A. Pradela-Filho, Mariana C. Marra, Thiago C. Oliveira, Allyson L. Rodrigues, Luiz A. J. Silva, Anizio M. Faria, Eduardo M. Richter, Rodrigo A. A. Munoz, Thiago R. L. C. Paixão, Regina M. Takeuchi, André L. Santos","doi":"10.1039/d5an00313j","DOIUrl":"https://doi.org/10.1039/d5an00313j","url":null,"abstract":"Bisphenol A (BPA) is widely used in the production of polycarbonate plastics and epoxy resins, and it is now classified as an emerging pollutant due to its extensive environmental presence. Given the need for effective BPA monitoring, this study presents a cost-effective electrochemical approach for its quantification, using pyrolytic graphite sheets (GSs) as working electrodes integrated into a 3D-printed electrochemical cell. Despite initially exhibiting an intense voltammetric peak for BPA, fouling of the GS surface resulted in a progressive decrease in the BPA signal over successive scans. A pretreatment consisting of applying +1.5 V for 30 s under continuous stirring was adopted before voltammetric measurements. This pretreatment promotes the oxygen evolution reaction, likely cleaning the electrode surface and enhancing its antifouling capability by introducing oxygenated functional groups onto the GS surface. In contrast, this pretreatment was ineffective for a glassy carbon electrode (GCE), likely due to its morphology and reduced reactive surface area, which inhibited the formation of oxygenated functional groups. Under optimized conditions, differential pulse voltammetry with the treated GS electrode yielded a linear range for BPA detection from 0.5 to 1.9 μmol L<small><sup>−1</sup></small>, achieving a detection limit of 0.12 μmol L<small><sup>−1</sup></small>. The proposed electrochemical method was applied to quantify BPA in drinking water and vacuum-pressure mouthguard sheets, providing results statistically equivalent to those obtained using high-performance liquid chromatography. Therefore, this paper presents interesting findings that we believe to be significant for the electroanalysis community, particularly in developing countries where research funding is often limited.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"5 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143980130","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
FTIR-based Machine Learning for Prediction of Malignant Transformation in Oral Epithelial Dysplasia 基于ftir的机器学习预测口腔上皮异常增生的恶性转化
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-14 DOI: 10.1039/d5an00117j
Rose Wang, Roya Sabzian, Tanya M. Gibson, Yong Wang
{"title":"FTIR-based Machine Learning for Prediction of Malignant Transformation in Oral Epithelial Dysplasia","authors":"Rose Wang, Roya Sabzian, Tanya M. Gibson, Yong Wang","doi":"10.1039/d5an00117j","DOIUrl":"https://doi.org/10.1039/d5an00117j","url":null,"abstract":"Oral squamous cell carcinoma (OSCC) is an aggressive cancer with a poor prognosis. Oral epithelial dysplasia (OED) is a precancerous lesion associated with an increased risk of malignant transformation (MT) into OSCC. However, current histopathological methods for diagnosing OED are subjective and ineffective in assessing MT risk. FTIR provides a comprehensive biochemical profile of tissues, known as “biomolecular fingerprinting”. Previously we developed an FTIR-based OSCC-Benign classifier that accurately distinguishes OSCC from benign tissue. In this study, we evaluated whether this classifier could also predict MT risk in OED. Thirty OED patient biopsies with documented MT outcomes were analyzed, including 12 with and 18 without MT. FTIR images were acquired from six regions of interest (ROIs) per tissue section, yielding an average epithelial spectrum for each ROI, and a total of 180 spectra for model evaluation. The OSCC-Benign classifier achieved an accuracy of 81.7% with an F1 score of 0.77 at the ROI level, and an accuracy of 83.3% with an F1 score of 0.8 at the biopsy level in predicting MT in OED. Our findings suggest that OEDs with biomolecular fingerprints similar to OSCC carry a higher risk of MT, while those resembling benign tissue carry a lower risk, providing new insight into the malignant transformation process. In summary, the FTIR-based machine learning approach outperforms traditional histopathology in predicting MT risk in OED, potentially offering a quantitative and objective tool for clinical diagnosis.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"55 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143946050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Application and development of signal amplification strategy in detection of antibiotic residues in food 信号放大策略在食品中抗生素残留检测中的应用与发展
IF 3.6 3区 化学
Analyst Pub Date : 2025-05-13 DOI: 10.1039/D5AN00212E
Zhen Liu, Xing Liu, Qian Wu, Jinquan Liu and Xilin Xiao
{"title":"Application and development of signal amplification strategy in detection of antibiotic residues in food","authors":"Zhen Liu, Xing Liu, Qian Wu, Jinquan Liu and Xilin Xiao","doi":"10.1039/D5AN00212E","DOIUrl":"10.1039/D5AN00212E","url":null,"abstract":"<p >Food is essential for the proper functioning of the human body, and small molecule contaminants, such as antibiotics, have become a growing concern due to their harmful effects on both biological systems and the environment. These contaminants can enter the food supply through the use of antibiotics in animals, potentially causing significant health and ecological damage. As a result, detecting these pollutants, especially at trace levels, has become increasingly important. Aptamer sensors have gained popularity for this purpose because of their high stability, specificity, ease of modification, and low cost. To improve the sensitivity of these sensors, various signal enhancement strategies are used. These strategies aim to better detect small molecule contaminants, with many relying on nanomaterials and nucleic acid amplification techniques to amplify signals. Nanomaterials, which come in different forms such as zero-dimensional, one-dimensional, two-dimensional, and three-dimensional, play a crucial role in improving the performance of these sensors. This article provides an overview of these signal enhancement approaches, discussing the challenges and potential future directions for the development of aptamers in food contamination detection.</p>","PeriodicalId":63,"journal":{"name":"Analyst","volume":" 11","pages":" 2203-2225"},"PeriodicalIF":3.6,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143939962","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Surface Charge Regulation Mediates Anomalous Ion Transport in Silica Nanochannels 表面电荷调节介导二氧化硅纳米通道中的异常离子传输
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-13 DOI: 10.1039/d5an00198f
Kaushik Krishna Rangharajan, Shaurya Prakash
{"title":"Surface Charge Regulation Mediates Anomalous Ion Transport in Silica Nanochannels","authors":"Kaushik Krishna Rangharajan, Shaurya Prakash","doi":"10.1039/d5an00198f","DOIUrl":"https://doi.org/10.1039/d5an00198f","url":null,"abstract":"A hybrid microfluidic-nanofluidic device was evaluated for the transport of a variety of ions with the purpose of enhancing the understanding of surface charge regulation for electrokinetic transport within silica nanochannels. A bank of three nanochannels at 16 nm depth connect the two microfluidic channels that act as fluid and electrolyte reservoirs for the experimental and modeling data reported in this work. Surface charge regulation was noted to be dependent on the size of the hydrated cation, type of anion, and the electrolyte concentration for the negatively charged silica nanochannels with anomalous transport observed. The results reported here provide new insight to the impact of surface charge regulation as function of ion type and electrolyte concentration within nanochannels and subsequently raises the possibility of tuning electrolyte solution composition to manipulate surface charge and subsequent electroosmotic flow within nanochannels.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"34 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143939969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Preparation of novel chiral stationary phases based on a chiral trianglsalen macrocycle by thiol-ene click chemistry for enantioseparation in high-performance liquid chromatography 巯基键合化学制备手性三角形大环固定相用于高效液相色谱对映体分离
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-13 DOI: 10.1039/d5an00441a
Jia-Lei Wu, Hua-Can Zhang, Li-Qin Yu, Sheng-Ming Xie, Jun-Hui Zhang, Bang-Jin Wang, Li-Ming Yuan
{"title":"Preparation of novel chiral stationary phases based on a chiral trianglsalen macrocycle by thiol-ene click chemistry for enantioseparation in high-performance liquid chromatography","authors":"Jia-Lei Wu, Hua-Can Zhang, Li-Qin Yu, Sheng-Ming Xie, Jun-Hui Zhang, Bang-Jin Wang, Li-Ming Yuan","doi":"10.1039/d5an00441a","DOIUrl":"https://doi.org/10.1039/d5an00441a","url":null,"abstract":"Macrocyclic compounds, with unique cyclic structures, well-defined molecular cavities and diverse functional properties, have shown broad application prospects in the fields of molecular recognition, catalysis, separation, and supramolecular chemistry. In this study, a novel chiral trianglsalen macrocycle (CTSM) was synthesized by a one-step condensation reaction of 3,3'-dihydroxy-(1,1'-biphenyl)-4,4'-dicarboxaldehyde with (1R, 2R)-1,2-diaminocyclohexane. Then, the CTSM was bonded to thiol-functionalized silica by thiol-ene click approach to prepare two chiral stationary phases (CSPs), CSP-A and CSP-B, with different spacers for high-performance liquid chromatography (HPLC). The two prepared CSPs exhibit excellent chiral separation performance, and 22 racemates were enantioseparated on these two CSPs, including alcohols, ketones, esters, phenols, organic acids, epoxides, and amines. Among them, 20 racemates achieved baseline separation on CSP-A, while 15 racemates achieved baseline separation on CSP-B. CSP-A shows better chiral separation capability than CSP-B, and most racemates obtain higher resolution (Rs) values because CSP-A features a cationic imidazolium spacer that enhances enantioseparation. Compared with commercial chiral columns (Chiralpak AD-H and Chiralcel OD-H), the prepared CSP-A shows peculiar advantages, achieving the separation of some enantiomers that cannot be separated or cannot be well separated by the two commercial columns. Furthermore, the effects of analyte mass, mobile phase composition, and column temperature on enantioseparation were studied. The two fabricated columns also exhibit good reproducibility and stability. After hundreds of uses of the columns, the relative standard deviations (RSDs, n = 5) for separations were less than 1.16 % for retention time and 3.29% for Rs value, respectively. Moreover, the RSDs (n = 3) of Rs value and retention time in terms of column-to-column reproducibility were less than 8.79% and 5.04%, respectively. This work demonstrates the promising potential of CTSM for chiral separation in HPLC.","PeriodicalId":63,"journal":{"name":"Analyst","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143945992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Advancing atmospheric solids analysis probe mass spectrometry applications: a multifaceted approach to optimising clinical data set generation 推进大气固体分析探针质谱应用:一个多方面的方法来优化临床数据集生成
IF 4.2 3区 化学
Analyst Pub Date : 2025-05-12 DOI: 10.1039/d5an00166h
Liwen Song, Jasmine G. Reese, Michael A. Platt, Claire Lewis, Annabel Selina Jessica Eardley-Brunt, Bo Sun, Olaf Ansorge, Claire Vallance
{"title":"Advancing atmospheric solids analysis probe mass spectrometry applications: a multifaceted approach to optimising clinical data set generation","authors":"Liwen Song, Jasmine G. Reese, Michael A. Platt, Claire Lewis, Annabel Selina Jessica Eardley-Brunt, Bo Sun, Olaf Ansorge, Claire Vallance","doi":"10.1039/d5an00166h","DOIUrl":"https://doi.org/10.1039/d5an00166h","url":null,"abstract":"The use of rapid mass spectrometry techniques, such as atmospheric-solids-analysis-probe mass spectrometry (ASAP-MS), in the analysis of metabolite patterns in clinical samples holds significant promise for developing new diagnostic tools and enabling rapid disease screening. The rapid measurement times, ease of use, and relatively low cost of ASAP-MS makes it an appealing option for use in clinical settings. However, despite the potential of such approaches, a number of important experimental considerations are often overlooked. As well as instrument-specific choices and settings, these include the treatment of background noise and/or contaminant peaks in the mass spectra, and the influence of consumables, different users, and batch effects more generally. The present study assesses the impact of these various factors on measurement accuracy and reproducibility, using human brain and cerebrospinal fluid samples as examples. Based on our results, we make a series of recommendations relating to optimisation of measurement and cleaning protocols, consumable selection, and batch effect detection and correction, in order to optimise the reliability and reproducibility of ASAP-MS measurements in clinical settings","PeriodicalId":63,"journal":{"name":"Analyst","volume":"2 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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